FIELD OF THE INVENTION
The present invention relates to three-dimensional structures of G protein-coupled receptors, especially melanin-concentrating hormone receptor 1, and structures derived therefrom.
BACKGROUND OF THE INVENTION
I. GPCRs
Most eukaryotic organisms utilize guanine nucleotide-binding regulatory protein (hereinafter, referred to as “G protein”)-coupled receptors (G protein-coupled receptors; hereinafter, frequently referred to as “GPCRs”) to respond to a variety of stimuli such as Ca2+, amines, hormones, peptides, and even large proteins. Each GPCR is composed of an extracellular region, an intracellular region and a transmembrane bundle of seven α-helices. The binding of specific ligands to the extracellular or transmembrane domain evokes conformational changes that are transmitted to the intracellular region. The conformational switch from inactive to active state in the intracellular region produces a catalytically competent receptor that is responsible for binding and nucleotide exchange (GDPGTP) on the α-subunit of several hundreds of G proteins of a specific subtype. The α-and/or A′-subunit of the G proteins activates the next target protein(s) to evoke further intracellular responses. Because all of several hundreds of members in the GPCR family appear to share a common motif in their transmembrane structure and a common topology, it is generally accepted that a similar switching mechanism functions in all of these receptors.
II. MCH-R1
Neuropeptides present in the hypothalamus play a major role in mediating the control of body weight. (Flier, et al. 1998. Cell, 92, 437-440). Melanin-concentrating hormone (MCH) produced in mammals is a cyclic 19-amino acid neuropeptide synthesized as part of a larger pre-prohormone precursor in the hypothalamus which also encodes neuropeptide EI (NEI) and neuropeptide GE (NGE). (Nahon, et al., 1990. Mol. Endocrinol. 4,632-637; Vaughan, et al., U.S. Pat. No 5,049,655; and Vaughan, et al., 1989. Endocrinology 125, 1660-1665.) MCH was first identified in salmon pituitary. In fish, MCH affects melanin aggregation thus affecting skin pigmentation. In trout and eels MCH has also been shown to be involved in stress induced or corticotropin-releasing-factor (CRF)-stimulated adrenocorticotropin (ACTH) release. (Kawauchi, et al., 1983. Nature 305, 321-323.)
In humans two genes encoding MCH have been identified that are expressed in the brain. (Breton, et al., 1993. Mol. Brain Res. 18, 297-310.) In mammals MCH has been localized primarily to neuronal cell bodies of the hypothalamus which are implicated in the control of food intake, including perikarya of the lateral hypothalamus and zona inertia. (Knigge, et al., 1996. Peptides 17, 1063-1073.)
Pharmacological and genetic evidence suggest that the primary mode of MCH action is to promote feeding (orexigenic). MCH mRNA is up-regulated in fasted mice and rats, in the ob/ob mouse and in mice with targeted disruption in the gene for neuropeptide Y (NPY). (Qu, et al., 1996. Nature 380, 243-247 and Erickson, et al., 1996. Nature 381, 415-418.) Injection of MCH centrally (ICV) stimulates food intake and MCH antagonizes the hypophagic effects seen with the α melanocyte stimulating hormone (αMSH). (Qu, et al., 1996. Nature 380, 243-247.) MCH deficient mice are lean, hypophagic and have increased metabolic rate. (Shimada, et al., 1998. Nature 396, 670-673.) The administration of MCH has been indicated to be useful for promoting eating, appetite or the gain or maintenance of weight. (Maratos-Flier, U.S. Pat. No. 5,849,708.)
MCH action is not limited to modulation of food intake as effects on the hypothalamic-pituitary-axis have been reported. (Nahon, 1994. Critical Rev. in Neurobiol. 8, 221-262.) MCH may be involved in the body response to stress as MCH can modulate the stress-induced release of CRF from the hypothalamus and ACTH from the pituitary. In addition, MCH neuronal systems may be involved in reproductive or maternal function.
MCH can bind at least two different receptors: MCH-R1 and MCH-R2. (Chambers, et al. 1999. Nature 400, 262-265; Saito, et al., 1999. Nature 400, 265-269; Bäichner, et al., 1999. FEBS Letters 457:522-524; Shimomura, et al., 1999. Biochemical and Biophysical Research Communications 261, 622-626; Sailer, et al., Proc. Natl. Acad. Sci. 98:7564-7569, 2001.) The amino acid identity between MCH-R2 and MCH-R1 is about 38%. (Sailer, et al., Proc. Natl. Acad. Sci. 98:7564-7569, 2001). MCH-R2 is detected specifically in most regions of the brain, with an expression pattern similar to that of MCH-R1.
Because MCH is an important regulator of food intake and energy balance, agents capable of modulating MCH receptor activity, especially MCH-R1, are highly desirable for the treatment of obesity, eating disorders (e.g., bulimia and anorexia), sexual disorders (e.g., anorgasmic or psychogenic impotence) and metabolic disorders, such as diabetes. Small molecule, non-peptide antagonists of MCH receptors would be of particular value as therapeutic agents for the diagnosis, treatment or prevention of diseases and disorders mediated through the MCH receptor, more particularly eating disorders related to obesity of any cause in humans. Thus there is a need to provide for potent and selective antagonists of the MCH-R1 receptor.
III. Three-Dimensional Structural Information
The biological properties of a protein depend directly on the protein's three-dimensional (3D) conformation. In turn, the 3D conformation determines the activity of enzymes, the capacity and specificity of binding proteins, and the potential for small molecules to interact with the receptor. Models at the atomic level are needed to obtain insight into the mechanisms of MCH-R1 activation, and the source of interactions between specific ligands and MCH-R1. Thus, there is a need for 3D structure models for the MCH-R1 receptor.
SUMMARY OF THE INVENTION
The present invention attempts to address this need by providing a 3D structure of human MCH-R1 receptor that is useful in identifying potent and selective agonists or antagonist of the MCH-R1 receptor for the treatment of MCH-R1 mediated disorders.
One aspect of the invention provides for a method of identifying a drug candidate useful for the treatment of a melanin concentrating hormone receptor 1 (MCH-R1) mediated disorder comprising the steps of:
- (a) using a three-dimensional (3D) structure of MCH-R1 according to Table 1;
- (b) employing said 3D structure to design or select in silico said drug candidate.
Another aspect of the invention provides a G-protein-coupled receptor selected from the group consisting of the following (a) or (b):
- (a) a G protein-coupled receptor having three-dimensional structure I defined by the atomic coordinates as shown in Table 1;
- (b) a G protein-coupled receptor having three-dimensional structure II defined by derived coordinates from the atomic coordinates as shown in Table 1, wherein the mean residual of the discrepancies between the positions of the α carbon atoms in the amino acid residues of seven helix sites SEQ ID NOS: 2-8 of the three-dimensional structure I and the positions of the corresponding α carbon atoms in the amino acid residues of the corresponding seven helix sites of the three-dimensional structure II is 1.5 Å or less when an image of the three-dimensional structure I obtained by computer-processing the atomic coordinates of Table 1 and an image of the three-dimensional structure II obtained by computer-processing said derived coordinates are superimposed.
These and other objects, features, and advantages will become apparent to those of ordinary skill in the art from a reading of the following detailed description and the appended claims.
SEQUENCE LISTING DESCRIPTION
Each of the protein sequences in the sequence listing is shown in Table A.
TABLE A
|
|
Position on SEQ ID
Sequence DescriptionSEQ ID NO:NO:1
|
|
MCH-R1a1—
|
HI2106-135
|
HII3146-175
|
HIII4183-213
|
HIV5226-249
|
HV6274-302
|
HVI7319-350
|
HVII8360-383
|
ECI9176-182
|
ECII10250-273
|
ECIII11351-359
|
ICI12136-145
|
IC213214-225
|
IC314303-318
|
CTERM15384-401
|
THI16106-120
|
THII-ECI-THIII17161-197
|
THIV-ECII-THV18235-288
|
THVI-ECIII-THVII19336-374
|
THII20161-175
|
THIII21183-197
|
THIV22235-249
|
THV23274-288
|
THVI24336-350
|
THVII25360-374
|
aThe corresponding human MCH-R1 accession number is NP_005288
|
DETAILED DESCRIPTION OF THE INVENTION
I. 3D Coordinates of MCH-R1
G protein-coupled receptors (GPCRs) function in a number of signaling pathways, converting a variety of external stimuli to activate multiple copies of G protein subtypes specific to the relevant G protein-coupled receptor. GPCRs, including MCH-R1, share many structural features, including a bundle of seven transmembrane α-helices connected by six loops of varying lengths. In the present invention, in silico 3D coordinates of the transmembrane intra- and extra-cellular regions of MCH-R1 are provided. These coordinates were obtained by homology from the 3D structure of bacterial rhodopsin and in-house SAR data. The model was later refined using the 3D coordinates of mammalian rhodopsin (Palczewski, K.; Kumasaka, T.; Hori, T.; Behnke, C. A.; Motoshima, H.; Fox, B. A.; Trong, I. L.; Teller, D. C.; Okada, T.; Stenkamp, R. E.; Yamamoto, M.; Miyano, M. Science, 2000, 289, 739). Further refinement, such as coordinates modification in view of SAR data generated in-house, was also performed.
As a result of the above analysis, the 3D structure of human MCH-R1 receptor can be obtained as 3D coordinates. The atomic coordinates obtained by the invention are shown in Table 1 below.
TABLE 1
|
|
ATOM1NILE105−40.87324.69719.527
ATOM2CAILE105−40.2623.52320.146
ATOM3CILE105−41.29522.4220.21
ATOM4OILE105−41.08721.37719.609
ATOM5CBILE105−39.65423.85421.544
ATOM6CG1ILE105−38.60625.00121.407
ATOM7CG2ILE105−39.03822.57422.18
ATOM8CD1ILE105−38.03325.49222.765
ATOM9HAILE105−39.4323.1719.508
ATOM10HBILE105−40.4624.21122.205
ATOM11HG11ILE105−37.77424.67520.762
ATOM12HG12ILE105−39.08625.86820.924
ATOM13HD11ILE105−37.39624.72823.234
ATOM14HD12ILE105−37.41526.3922.607
ATOM15HD13ILE105−38.84925.75123.457
ATOM16HG21ILE105−38.17922.22621.586
ATOM17HG22ILE105−39.77921.76222.227
ATOM18HG23ILE105−38.70222.76323.21
ATOM19HILE105−41.50125.2720.055
ATOM20HNCAILE105−40.69424.89818.563
ATOM21NSER106−42.42722.60820.925
ATOM22CASER106−43.43721.55320.948
ATOM23CSER106−43.93921.35219.539
ATOM24OSER106−43.91620.2319.06
ATOM25CBSER106−44.6321.86421.888
ATOM26OGSER106−45.56920.77621.819
ATOM27HASER106−42.97220.61721.304
ATOM28HSER106−42.60823.46221.415
ATOM29HB1SER106−44.25621.9822.919
ATOM30HB2SER106−45.11822.80421.582
ATOM31HGSER106−46.32920.90122.38
ATOM32NTYR107−44.38222.42318.842
ATOM33CATYR107−44.88122.23817.481
ATOM34CTYR107−43.85721.50816.64
ATOM35OTYR107−44.23920.66915.84
ATOM36CBTYR107−45.30523.56216.79
ATOM37CGTYR107−44.09924.42316.387
ATOM38CD1TYR107−43.60425.41617.24
ATOM39CD2TYR107−43.49124.2315.142
ATOM40CE1TYR107−42.5326.2216.845
ATOM41CE2TYR107−42.43525.0514.735
ATOM42CZTYR107−41.94126.04215.587
ATOM43OHTYR107−40.86726.83115.165
ATOM44HATYR107−45.78121.60817.559
ATOM45HTYR107−44.38123.33819.244
ATOM46HB2TYR107−45.87823.32315.878
ATOM47HB1TYR107−45.97624.1317.453
ATOM48HD2TYR107−43.83623.44114.481
ATOM49HE2TYR107−41.99224.91813.754
ATOM50HE1TYR107−42.16126.98217.523
ATOM51HD1TYR107−44.05225.57518.215
ATOM52HHTYR107−40.60527.50215.785
ATOM53NILE108−42.54521.78616.815
ATOM54CAILE108−41.54221.03616.059
ATOM55CILE108−41.64819.58616.482
ATOM56OILE108−41.73118.71615.627
ATOM57CBILE108−40.08721.57216.255
ATOM58CG1ILE108−39.97523.04315.75
ATOM59CG2ILE108−39.06420.64815.534
ATOM60CD1ILE108−38.59623.70716.008
ATOM61HAILE108−41.78521.10414.986
ATOM62HILE108−42.25222.44517.508
ATOM63HBILE108−39.85321.55217.332
ATOM64HG11ILE108−40.20123.08714.673
ATOM65HG12ILE108−40.71623.65916.277
ATOM66HD11ILE108−37.81123.27115.373
ATOM67HD12ILE108−38.65224.78315.776
ATOM68HD13ILE108−38.30523.59617.064
ATOM69HG21ILE108−39.2420.65514.447
ATOM70HG22ILE108−38.02920.96215.728
ATOM71HG23ILE108−39.15319.61415.895
ATOM72NASN109−41.65319.29917.803
ATOM73CAASN109−41.74317.90718.244
ATOM74CASN109−43.09617.29617.937
ATOM75OASN109−43.19316.08518.026
ATOM76CBASN109−41.4317.75919.758
ATOM77CGASN109−41.14716.33320.179
ATOM78OD1ASN109−40.86115.49319.341
ATOM79ND2ASN109−41.19816.01921.49
ATOM80HAASN109−40.98117.3417.682
ATOM81HASN109−41.62220.02818.493
ATOM82HB1ASN109−40.52718.34319.995
ATOM83HB2ASN109−42.27218.17220.334
ATOM84HD22ASN109−41.00615.07821.773
ATOM85HD21ASN109−41.41816.70422.185
ATOM86NILE110−44.15218.06117.577
ATOM87CAILE110−45.38217.44717.06
ATOM88CILE110−45.19917.12615.588
ATOM89OILE110−45.72816.12115.139
ATOM90CBILE110−46.62718.36417.283
ATOM91CG1ILE110−46.89318.52718.813
ATOM92CG2ILE110−47.88217.80616.548
ATOM93CD1ILE110−47.97719.58119.17
ATOM94HAILE110−45.58316.49917.586
ATOM95HILE110−44.0919.05917.601
ATOM96HBILE110−46.40719.34816.842
ATOM97HG11ILE110−47.18817.55519.243
ATOM98HG12ILE110−45.96318.83619.312
ATOM99HD11ILE110−48.98219.24718.876
ATOM100HD12ILE110−47.98919.74820.259
ATOM101HD13ILE110−47.76320.54118.678
ATOM102HG21ILE110−48.13116.80316.926
ATOM103HG22ILE110−48.75318.46116.688
ATOM104HG23ILE110−47.71217.73915.463
ATOM105NILE111−44.4717.94114.793
ATOM106CAILE111−44.34217.63113.365
ATOM107CILE111−43.66616.28813.173
ATOM108OILE111−44.23515.4312.517
ATOM109CBILE111−43.6118.76212.571
ATOM110CG1ILE111−44.51720.03212.49
ATOM111CG2ILE111−43.20518.27711.148
ATOM112CD1ILE111−43.76821.31712.041
ATOM113HAILE111−45.35717.54512.942
ATOM114HILE111−44.0218.75815.161
ATOM115HBILE111−42.68319.01413.113
ATOM116HG11ILE111−45.35519.84411.799
ATOM117HG12ILE111−44.95320.24113.478
ATOM118HD11ILE111−43.42521.24810.999
ATOM119HD12ILE111−44.44322.18412.113
ATOM120HD13ILE111−42.89821.50212.688
ATOM121HG21ILE111−44.117.97510.583
ATOM122HG22ILE111−42.68819.06710.586
ATOM123HG23ILE111−42.51517.42111.196
ATOM124NMET112−42.44216.06813.704
ATOM125CAMET112−41.7514.81313.397
ATOM126CMET112−42.57113.56113.668
ATOM127OMET112−42.66412.76412.748
ATOM128CBMET112−40.33214.69414.022
ATOM129CGMET112−39.64913.36813.585
ATOM130SDMET112−37.91213.3314.13
ATOM131CEMET112−37.43711.67413.55
ATOM132HAMET112−41.58214.85212.307
ATOM133HMET112−41.98216.76814.257
ATOM134HB1MET112−39.71915.54413.68
ATOM135HB2MET112−40.38814.73915.12
ATOM136HG1MET112−40.16912.50214.025
ATOM137HG2MET112−39.6613.2712.488
ATOM138LPD1MET112−37.54413.81713.833
ATOM139LPD2MET112−37.85913.38614.805
ATOM140HE1MET112−37.55311.60612.459
ATOM141HE2MET112−36.38811.48313.818
ATOM142HE3MET112−38.07910.92814.04
ATOM143NPRO113−43.18313.27614.845
ATOM144CAPRO113−43.92712.03314.98
ATOM145CPRO113−45.0911.9814.016
ATOM146OPRO113−45.42210.88813.582
ATOM147CBPRO113−44.35412.09316.467
ATOM148CGPRO113−44.33713.59716.812
ATOM149CDPRO113−43.13514.14916.005
ATOM150HAPRO113−43.26311.17114.809
ATOM151HD2PRO113−42.19813.99516.561
ATOM152HD1PRO113−43.27315.2115.772
ATOM153HG2PRO113−44.2613.77817.896
ATOM154HG1PRO113−45.27814.04316.453
ATOM155HB1PRO113−45.33611.63316.649
ATOM156HB2PRO113−43.611.58517.093
ATOM157NSER114−45.7213.11613.637
ATOM158CASER114−46.75513.04912.606
ATOM159CSER114−46.12712.6111.301
ATOM160OSER114−46.70511.79210.602
ATOM161CBSER114−47.4614.41612.407
ATOM162OGSER114−48.03914.81813.661
ATOM163HASER114−47.52112.31612.912
ATOM164HSER114−45.45914.01613.997
ATOM165HB1SER114−46.73115.16812.064
ATOM166HB2SER114−48.24614.31611.638
ATOM167HGSER114−48.4715.66613.617
ATOM168NVAL115−44.92913.13910.957
ATOM169CAVAL115−44.26212.6849.738
ATOM170CVAL115−43.97711.2079.882
ATOM171OVAL115−44.28310.4598.967
ATOM172CBVAL115−42.95213.4719.427
ATOM173CG1VAL115−42.15812.8148.263
ATOM174CG2VAL115−43.26814.9539.078
ATOM175HAVAL115−44.9512.8238.888
ATOM176HVAL115−44.46713.80211.552
ATOM177HBVAL115−42.30313.45110.317
ATOM178HG11VAL115−42.78712.7367.362
ATOM179HG12VAL115−41.26613.4118.018
ATOM180HG13VAL115−41.8211.8068.544
ATOM181HG21VAL115−43.84215.4379.88
ATOM182HG22VAL115−42.33515.5218.936
ATOM183HG23VAL115−43.85715.0118.15
ATOM184NPHE116−43.39810.74911.015
ATOM185CAPHE116−43.1489.31711.156
ATOM186CPHE116−44.448.55310.983
ATOM187OPHE116−44.4447.54810.291
ATOM188CBPHE116−42.5418.90912.522
ATOM189CGPHE116−42.417.37912.547
ATOM190CD1PHE116−41.3986.75811.807
ATOM191CD2PHE116−43.3086.59113.278
ATOM192CE1PHE116−41.3445.36511.716
ATOM193CE2PHE116−43.245.19613.208
ATOM194CZPHE116−42.2814.58412.396
ATOM195HAPHE116−42.4469.01810.361
ATOM196HPHE116−43.14511.3711.761
ATOM197HB1PHE116−41.5549.37912.661
ATOM198HB2PHE116−43.29.24813.334
ATOM199HD2PHE116−44.0677.05613.899
ATOM200HE2PHE116−43.9334.5913.782
ATOM201HZPHE116−42.2663.50512.293
ATOM202HE1PHE116−40.5744.89511.115
ATOM203HD1PHE116−40.6537.35611.292
ATOM204NGLY117−45.5539.00311.601
ATOM205CAGLY117−46.8168.29711.412
ATOM206CGLY117−47.1618.2189.944
ATOM207OGLY117−47.5867.1719.482
ATOM208HA2GLY117−47.6428.81911.921
ATOM209HA1GLY117−46.7347.28611.841
ATOM210HGLY117−45.5379.82312.179
ATOM211NTHR118−46.9899.3229.185
ATOM212CATHR118−47.3099.2757.758
ATOM213CTHR118−46.3948.2847.074
ATOM214OTHR118−46.8727.4436.328
ATOM215CBTHR118−47.18910.6717.078
ATOM216OG1THR118−48.15611.5937.616
ATOM217CG2THR118−47.45210.5765.552
ATOM218HATHR118−48.3538.9397.642
ATOM219HTHR118−46.61910.1659.585
ATOM220HBTHR118−46.17211.0747.224
ATOM221HG1THR118−48.04211.7728.545
ATOM222HG23THR118−46.6859.9645.055
ATOM223HG21THR118−48.44110.1335.36
ATOM224HG22THR118−47.42811.5845.109
ATOM225NILE119−45.0668.3657.319
ATOM226CAILE119−44.1467.4096.698
ATOM227CILE119−44.626.0197.06
ATOM228OILE119−44.6475.1536.201
ATOM229CBILE119−42.6667.6127.158
ATOM230CG1ILE119−42.0938.9616.615
ATOM231CG2ILE119−41.7666.4186.721
ATOM232CD1ILE119−40.7239.3587.231
ATOM233HAILE119−44.1977.525.602
ATOM234HILE119−44.7139.0457.966
ATOM235HBILE119−42.6627.6378.26
ATOM236HG11ILE119−41.9928.9015.519
ATOM237HG12ILE119−42.7929.7836.833
ATOM238HD11ILE119−39.9278.6586.946
ATOM239HD12ILE119−40.42410.3566.873
ATOM240HD13ILE119−40.7869.3858.329
ATOM241HG21ILE119−41.6956.3695.624
ATOM242HG22ILE119−40.7556.5197.139
ATOM243HG23ILE119−42.1565.4577.085
ATOM244NCYS120−44.9915.7868.336
ATOM245CACYS120−45.3924.4468.749
ATOM246CCYS120−46.6193.9768.004
ATOM247OCYS120−46.6042.8857.455
ATOM248CBCYS120−45.6484.3910.276
ATOM249SGCYS120−46.0462.6810.75
ATOM250HACYS120−44.5673.7638.514
ATOM251HCYS120−44.9776.5189.019
ATOM252HB1CYS120−44.754.71410.825
ATOM253HB2CYS120−46.4875.04610.55
ATOM254HGCYS120−46.3532.85611.693
ATOM255LPG1CYS120−46.5392.41610.365
ATOM256LPG2CYS120−45.5022.27510.729
ATOM257NLEU121−47.7024.7837.978
ATOM258CALEU121−48.9234.3287.315
ATOM259CLEU121−48.6253.9875.872
ATOM260OLEU121−49.0632.9525.393
ATOM261CBLEU121−50.0385.4157.324
ATOM262CGLEU121−50.6375.7328.729
ATOM263CD1LEU121−51.5157.0138.644
ATOM264CD2LEU121−51.4854.5569.293
ATOM265HALEU121−49.2763.4087.805
ATOM266HLEU121−47.6715.6938.4
ATOM267HB1LEU121−49.6046.3326.895
ATOM268HB2LEU121−50.8615.0966.662
ATOM269HGLEU121−49.8265.9359.447
ATOM270HD21LEU121−50.8683.6689.489
ATOM271HD22LEU121−51.9534.84710.246
ATOM272HD23LEU121−52.2834.2828.586
ATOM273HD11LEU121−52.3476.8617.939
ATOM274HD12LEU121−51.9347.2669.631
ATOM275HD13LEU121−50.9177.8728.301
ATOM276NLEU122−47.8844.8575.154
ATOM277CALEU122−47.6494.5993.736
ATOM278CLEU122−46.6773.453.564
ATOM279OLEU122−46.9292.5612.766
ATOM280CBLEU122−47.0755.8543.021
ATOM281CGLEU122−47.9747.1283.063
ATOM282CD1LEU122−47.2058.322.425
ATOM283CD2LEU122−49.336.9212.332
ATOM284HALEU122−48.5934.3083.249
ATOM285HLEU122−47.4765.6665.587
ATOM286HB1LEU122−46.1126.0943.499
ATOM287HB2LEU122−46.8875.5961.966
ATOM288HGLEU122−48.1957.4024.108
ATOM289HD21LEU122−49.9586.1862.855
ATOM290HD22LEU122−49.8917.8682.295
ATOM291HD23LEU122−49.1616.5771.3
ATOM292HD11LEU122−46.998.1131.365
ATOM293HD12LEU122−47.89.2452.487
ATOM294HD13LEU122−46.2518.4922.946
ATOM295NGLY123−45.543.4544.294
ATOM296CAGLY123−44.5252.434.066
ATOM297CGLY123−44.9791.0564.495
ATOM298OGLY123−44.6060.1043.826
ATOM299HA2GLY123−43.5992.6724.606
ATOM300HA1GLY123−44.2752.4052.993
ATOM301HGLY123−45.3624.1614.982
ATOM302NILE124−45.7590.8945.59
ATOM303CAILE124−46.226−0.4535.926
ATOM304CILE124−47.066−0.9364.77
ATOM305OILE124−46.85−2.0394.293
ATOM306CBILE124−47.041−0.5787.254
ATOM307CG1ILE124−46.092−0.3598.47
ATOM308CG2ILE124−47.75−1.9637.351
ATOM309CD1ILE124−46.78−0.4579.858
ATOM310HAILE124−45.351−1.1156.002
ATOM311HILE124−46.0621.6776.141
ATOM312HBILE124−47.8220.2027.257
ATOM313HG11ILE124−45.276−1.0998.444
ATOM314HG12ILE124−45.6520.6458.375
ATOM315HD11ILE124−47.092−1.48610.089
ATOM316HD12ILE124−46.073−0.15510.646
ATOM317HD13ILE124−47.6580.2059.899
ATOM318HG21ILE124−47−2.7677.387
ATOM319HG22ILE124−48.382−2.0278.247
ATOM320HG23ILE124−48.419−2.1466.497
ATOM321NILE125−48.044−0.1234.32
ATOM322CAILE125−48.936−0.5963.265
ATOM323CILE125−48.097−0.9092.048
ATOM324OILE125−48.209−2.0041.52
ATOM325CBILE125−50.0790.4212.957
ATOM326CG1ILE125−51.0490.5144.179
ATOM327CG2ILE125−50.8390.0111.662
ATOM328CD1ILE125−52.0431.7054.103
ATOM329HAILE125−49.405−1.5373.599
ATOM330HILE125−48.1560.8034.69
ATOM331HBILE125−49.6191.4082.784
ATOM332HG11ILE125−51.617−0.4264.274
ATOM333HG12ILE125−50.4720.6415.109
ATOM334HD11ILE125−52.7681.5783.287
ATOM335HD12ILE125−52.6081.7785.045
ATOM336HD13ILE125−51.4982.653.953
ATOM337HG21ILE125−51.291−0.9851.786
ATOM338HG22ILE125−51.6350.731.419
ATOM339HG23ILE125−50.16−0.0180.796
ATOM340NGLY126−47.2490.031.577
ATOM341CAGLY126−46.479−0.2440.366
ATOM342CGLY126−45.643−1.4930.508
ATOM343OGLY126−45.741−2.385−0.319
ATOM344HA2GLY126−45.7930.5880.14
ATOM345HA1GLY126−47.171−0.352−0.484
ATOM346HGLY126−47.150.9212.03
ATOM347NASN127−44.791−1.5791.551
ATOM348CAASN127−43.893−2.731.652
ATOM349CASN127−44.662−4.0151.883
ATOM350OASN127−44.339−5.0131.256
ATOM351CBASN127−42.836−2.4962.76
ATOM352CGASN127−41.959−1.3262.383
ATOM353OD1ASN127−41.217−1.4531.424
ATOM354ND2ASN127−42.005−0.1753.086
ATOM355HAASN127−43.35−2.8330.697
ATOM356HASN127−44.762−0.8562.248
ATOM357HB1ASN127−43.353−2.3263.712
ATOM358HB2ASN127−42.198−3.3832.875
ATOM359HD22ASN127−41.4160.5922.816
ATOM360HD21ASN127−42.614−0.0643.87
ATOM361NSER128−45.691−4.042.761
ATOM362CASER128−46.468−5.2722.924
ATOM363CSER128−47.094−5.6421.6
ATOM364OSER128−46.996−6.7861.182
ATOM365CBSER128−47.607−5.1523.972
ATOM366OGSER128−47.048−5.0095.289
ATOM367HASER128−45.797−6.0883.234
ATOM368HSER128−45.96−3.2213.275
ATOM369HB1SER128−48.249−4.2883.731
ATOM370HB2SER128−48.223−6.0683.942
ATOM371HGSER128−47.711−4.9295.969
ATOM372NTHR129−47.749−4.6690.931
ATOM373CATHR129−48.36−4.956−0.363
ATOM374CTHR129−47.338−5.555−1.3
ATOM375OTHR129−47.644−6.537−1.96
ATOM376CBTHR129−48.97−3.66−0.963
ATOM377OG1THR129−50.069−3.27−0.118
ATOM378CG2THR129−49.464−3.876−2.413
ATOM379HATHR129−49.175−5.682−0.213
ATOM380HTHR129−47.824−3.7391.304
ATOM381HBTHR129−48.201−2.868−0.978
ATOM382HG1THR129−50.469−2.449−0.382
ATOM383HG23THR129−48.611−4.09−3.074
ATOM384HG21THR129−50.173−4.718−2.444
ATOM385HG22THR129−49.968−2.969−2.783
ATOM386NVAL130−46.117−4.982−1.378
ATOM387CAVAL130−45.117−5.543−2.285
ATOM388CVAL130−44.836−6.983−1.921
ATOM389OVAL130−44.83−7.824−2.806
ATOM390CBVAL130−43.79−4.726−2.304
ATOM391CG1VAL130−42.648−5.488−3.032
ATOM392CG2VAL130−43.994−3.355−3.008
ATOM393HAVAL130−45.538−5.524−3.3
ATOM394HVAL130−45.883−4.184−0.815
ATOM395HBVAL130−43.469−4.555−1.262
ATOM396HG11VAL130−42.958−5.753−4.053
ATOM397HG12VAL130−41.764−4.839−3.096
ATOM398HG13VAL130−42.358−6.405−2.496
ATOM399HG21VAL130−44.836−2.798−2.579
ATOM400HG22VAL130−43.084−2.747−2.901
ATOM401HG23VAL130−44.191−3.498−4.08
ATOM402NILE131−44.586−7.301−0.633
ATOM403CAILE131−44.219−8.679−0.293
ATOM404CILE131−45.377−9.574−0.644
ATOM405OILE131−45.185−10.553−1.349
ATOM406CBILE131−43.862−8.8711.211
ATOM407CG1ILE131−42.571−8.0711.544
ATOM408CG2ILE131−43.679−10.3741.572
ATOM409CD1ILE131−42.457−7.7053.042
ATOM410HAILE131−43.344−8.977−0.896
ATOM411HILE131−44.668−6.6030.086
ATOM412HBILE131−44.698−8.4721.809
ATOM413HG11ILE131−41.674−8.6181.213
ATOM414HG12ILE131−42.603−7.1280.99
ATOM415HD11ILE131−42.391−8.5973.68
ATOM416HD12ILE131−41.564−7.0873.204
ATOM417HD13ILE131−43.336−7.1163.337
ATOM418HG21ILE131−42.875−10.8130.962
ATOM419HG22ILE131−43.415−10.4972.632
ATOM420HG23ILE131−44.603−10.9471.395
ATOM421NPHE132−46.59−9.249−0.15
ATOM422CAPHE132−47.734−10.104−0.439
ATOM423CPHE132−47.839−10.323−1.927
ATOM424OPHE132−48.001−11.452−2.363
ATOM425CBPHE132−49.049−9.4470.056
ATOM426CGPHE132−50.257−10.296−0.362
ATOM427CD1PHE132−51.009−9.962−1.494
ATOM428CD2PHE132−50.615−11.4160.396
ATOM429CE1PHE132−52.151−10.698−1.824
ATOM430CE2PHE132−51.746−12.1650.057
ATOM431CZPHE132−52.525−11.794−1.041
ATOM432HAPHE132−47.595−11.0750.064
ATOM433HPHE132−46.72−8.4260.411
ATOM434HB1PHE132−49.026−9.3511.153
ATOM435HB2PHE132−49.144−8.432−0.361
ATOM436HD2PHE132−50.016−11.7081.253
ATOM437HE2PHE132−52.019−13.0340.649
ATOM438HZPHE132−53.421−12.358−1.284
ATOM439HE1PHE132−52.747−10.417−2.687
ATOM440HD1PHE132−50.711−9.128−2.123
ATOM441NALA133−47.757−9.242−2.729
ATOM442CAALA133−47.975−9.396−4.162
ATOM443CALA133−46.844−10.121−4.857
ATOM444OALA133−47.134−10.928−5.727
ATOM445CBALA133−48.209−8.016−4.819
ATOM446HAALA133−48.894−9.991−4.291
ATOM447HALA133−47.567−8.33−2.353
ATOM448HB1ALA133−48.262−8.108−5.913
ATOM449HB2ALA133−49.15−7.589−4.442
ATOM450HB3ALA133−47.387−7.337−4.564
ATOM451NVAL134−45.56−9.87−4.514
ATOM452CAVAL134−44.486−10.641−5.145
ATOM453CVAL134−44.653−12.082−4.718
ATOM454OVAL134−44.691−12.958−5.567
ATOM455CBVAL134−43.046−10.154−4.791
ATOM456CG1VAL134−41.977−11.128−5.366
ATOM457CG2VAL134−42.764−8.727−5.339
ATOM458HAVAL134−44.597−10.589−6.241
ATOM459HVAL134−45.337−9.208−3.793
ATOM460HBVAL134−42.942−10.127−3.692
ATOM461HG11VAL134−42.107−11.246−6.452
ATOM462HG12VAL134−40.964−10.74−5.184
ATOM463HG13VAL134−42.053−12.122−4.897
ATOM464HG21VAL134−43.532−8.019−5.003
ATOM465HG22VAL134−41.787−8.364−4.984
ATOM466HG23VAL134−42.748−8.735−6.439
ATOM467NVAL135−44.754−12.347−3.397
ATOM468CAVAL135−44.849−13.731−2.93
ATOM469CVAL135−46.077−14.395−3.514
ATOM470OVAL135−46.029−15.586−3.778
ATOM471CBVAL135−44.843−13.813−1.372
ATOM472CG1VAL135−45.164−15.248−0.865
ATOM473CG2VAL135−43.464−13.365−0.804
ATOM474HAVAL135−43.972−14.284−3.306
ATOM475HVAL135−44.787−11.599−2.731
ATOM476HBVAL135−45.629−13.141−0.984
ATOM477HG11VAL135−44.455−15.972−1.294
ATOM478HG12VAL135−45.09−15.2930.232
ATOM479HG13VAL135−46.186−15.548−1.142
ATOM480HG21VAL135−43.187−12.355−1.142
ATOM481HG22VAL135−43.489−13.360.297
ATOM482HG23VAL135−42.674−14.059−1.128
ATOM483NLYS136−47.193−13.666−3.738
ATOM484CALYS136−48.38−14.311−4.303
ATOM485CLYS136−48.119−14.994−5.631
ATOM486OLYS136−48.946−15.817−5.992
ATOM487CBLYS136−49.567−13.308−4.41
ATOM488CGLYS136−50.884−13.942−4.945
ATOM489CDLYS136−52.107−13.027−4.661
ATOM490CELYS136−53.436−13.622−5.202
ATOM491NZLYS136−54.611−12.819−4.777
ATOM492HALYS136−48.679−15.103−3.596
ATOM493HLYS136−47.231−12.693−3.498
ATOM494HB1LYS136−49.758−12.915−3.399
ATOM495HB2LYS136−49.278−12.466−5.059
ATOM496HG1LYS136−50.805−14.113−6.031
ATOM497HG2LYS136−51.049−14.912−4.449
ATOM498HD1LYS136−52.201−12.905−3.572
ATOM499HD2LYS136−51.936−12.035−5.109
ATOM500HE1LYS136−53.386−13.667−6.304
ATOM501HE2LYS136−53.548−14.654−4.827
ATOM502HZ1LYS136−54.554−11.786−5.093
ATOM503HZ2LYS136−55.534−13.217−5.18
ATOM504HZ3LYS136−54.728−12.808−3.701
ATOM505NLYS137−47.025−14.713−6.384
ATOM506CALYS137−46.802−15.406−7.657
ATOM507CLYS137−45.378−15.905−7.774
ATOM508OLYS137−44.519−15.373−7.091
ATOM509CBLYS137−47.153−14.459−8.835
ATOM510CGLYS137−48.605−13.918−8.705
ATOM511CDLYS137−49.017−13.102−9.961
ATOM512CELYS137−50.469−12.549−9.895
ATOM513NZLYS137−50.667−11.485−8.88
ATOM514HALYS137−47.436−16.305−7.734
ATOM515HLYS137−46.345−14.028−6.108
ATOM516HB1LYS137−46.445−13.614−8.837
ATOM517HB2LYS137−47.037−15.008−9.784
ATOM518HG1LYS137−49.303−14.761−8.581
ATOM519HG2LYS137−48.661−13.283−7.807
ATOM520HD1LYS137−48.314−12.27−10.096
ATOM521HD2LYS137−48.934−13.76−10.843
ATOM522HE1LYS137−50.714−12.135−10.888
ATOM523HE2LYS137−51.163−13.386−9.704
ATOM524HZ1LYS137−50.061−10.602−9.034
ATOM525HZ2LYS137−51.687−11.136−8.878
ATOM526HZ3LYS137−50.508−11.817−7.865
ATOM527NSER138−45.101−16.928−8.622
ATOM528CASER138−43.777−17.553−8.63
ATOM529CSER138−43.327−17.857−10.042
ATOM530OSER138−43.119−19.012−10.378
ATOM531CBSER138−43.842−18.836−7.762
ATOM532OGSER138−44.23−18.475−6.425
ATOM533HASER138−43.004−16.897−8.197
ATOM534HSER138−45.809−17.34−9.197
ATOM535HB1SER138−44.582−19.53−8.195
ATOM536HB2SER138−42.855−19.33−7.749
ATOM537HGSER138−44.295−19.223−5.838
ATOM538NLYS139−43.151−16.817−10.887
ATOM539CALYS139−42.596−17.029−12.226
ATOM540CLYS139−41.706−15.845−12.534
ATOM541OLYS139−42.192−14.868−13.086
ATOM542CBLYS139−43.721−17.217−13.279
ATOM543CGLYS139−43.126−17.45−14.699
ATOM544CDLYS139−44.223−17.779−15.749
ATOM545CELYS139−43.607−17.983−17.162
ATOM546NZLYS139−44.628−18.386−18.161
ATOM547HALYS139−41.972−17.938−12.251
ATOM548HLYS139−43.386−15.887−10.6
ATOM549HB1LYS139−44.323−18.092−12.984
ATOM550HB2LYS139−44.382−16.336−13.279
ATOM551HG1LYS139−42.576−16.553−15.028
ATOM552HG2LYS139−42.414−18.29−14.66
ATOM553HD1LYS139−44.748−18.699−15.444
ATOM554HD2LYS139−44.957−16.957−15.783
ATOM555HE1LYS139−43.127−17.042−17.482
ATOM556HE2LYS139−42.824−18.76−17.109
ATOM557HZ1LYS139−45.414−17.649−18.258
ATOM558HZ2LYS139−44.197−18.514−19.146
ATOM559HZ3LYS139−45.098−19.326−17.904
ATOM560NLEU140−40.408−15.911−12.157
ATOM561CALEU140−39.484−14.806−12.4
ATOM562CLEU140−38.466−15.342−13.392
ATOM563OLEU140−37.993−16.447−13.175
ATOM564CBLEU140−38.828−14.387−11.05
ATOM565CGLEU140−39.84−14.149−9.884
ATOM566CD1LEU140−39.115−14.123−8.507
ATOM567CD2LEU140−40.635−12.827−10.055
ATOM568HALEU140−39.99−13.927−12.825
ATOM569HLEU140−40.03−16.724−11.707
ATOM570HB1LEU140−38.184−15.219−10.741
ATOM571HB2LEU140−38.197−13.498−11.201
ATOM572HGLEU140−40.559−14.986−9.85
ATOM573HD21LEU140−41.11−12.779−11.04
ATOM574HD22LEU140−41.42−12.745−9.286
ATOM575HD23LEU140−39.964−11.964−9.956
ATOM576HD11LEU140−38.414−13.279−8.458
ATOM577HD12LEU140−39.845−14.012−7.69
ATOM578HD13LEU140−38.553−15.055−8.337
ATOM579NHIS141−38.118−14.625−14.486
ATOM580CAHIS141−37.131−15.151−15.438
ATOM581CHIS141−35.719−14.827−14.995
ATOM582OHIS141−35.546−14.14−13.999
ATOM583CBHIS141−37.42−14.581−16.855
ATOM584CGHIS141−38.75−15.144−17.355
ATOM585CD2HIS141−39.982−14.517−17.461
ATOM586CE1HIS141−40.19−16.584−18.158
ATOM587HAHIS141−37.204−16.25−15.504
ATOM588HHIS141−38.511−13.72−14.651
ATOM589HB1HIS141−37.45−13.481−16.84
ATOM590HB2HIS141−36.656−14.889−17.583
ATOM591HD2HIS141−40.211−13.49−17.208
ATOM592N2HIS141−40.847−15.428−17.944
ATOM593HE1HIS141−40.616−17.497−18.561
ATOM594N1HIS141−38.909−16.408−17.787
ATOM595NTRP142−34.675−15.314−15.709
ATOM596CATRP142−33.314−14.88−15.385
ATOM597CTRP142−33.207−13.391−15.652
ATOM598OTRP142−34.051−12.869−16.362
ATOM599CBTRP142−32.204−15.677−16.127
ATOM600CGTRP142−31.927−15.171−17.521
ATOM601CD1TRP142−32.759−15.153−18.577
ATOM602CD2TRP142−30.619−14.584−17.991
ATOM603NE1TRP142−32.145−14.636−19.61
ATOM604CE2TRP142−30.88−14.283−19.314
ATOM605CE3TRP142−29.376−14.332−17.412
ATOM606CZ2TRP142−29.916−13.706−20.141
ATOM607CZ3TRP142−28.394−13.76−18.232
ATOM608CH2TRP142−28.663−13.444−19.573
ATOM609HATRP142−33.175−15.053−14.303
ATOM610HB1TRP142−31.265−15.599−15.557
ATOM611HB2TRP142−32.471−16.744−16.169
ATOM612HE1TRP142−32.575−14.516−20.54
ATOM613HD1TRP142−33.788−15.509−18.59
ATOM614HZ2TRP142−30.132−13.471−21.178
ATOM615HH2TRP142−27.887−12.988−20.18
ATOM616HZ3TRP142−27.41−13.556−17.82
ATOM617HE3TRP142−29.175−14.565−16.374
ATOM618HTRP142−34.814−15.939−16.477
ATOM619NCYS143−32.214−12.682−15.065
ATOM620CACYS143−32.197−11.214−15.119
ATOM621CCYS143−33.421−10.589−14.475
ATOM622OCYS143−33.652−9.411−14.702
ATOM623CBCYS143−31.982−10.668−16.557
ATOM624SGCYS143−30.466−11.407−17.246
ATOM625HACYS143−31.347−10.846−14.516
ATOM626HB1CYS143−32.838−10.911−17.204
ATOM627HB2CYS143−31.856−9.573−16.544
ATOM628HGCYS143−30.51−11.008−18.171
ATOM629LPG1CYS143−29.91−11.211−16.909
ATOM630LPG2CYS143−30.496−12.085−17.258
ATOM631HCYS143−31.517−13.145−14.516
ATOM632NASN144−34.206−11.341−13.665
ATOM633CAASN144−35.392−10.789−13.003
ATOM634CASN144−35.478−11.371−11.603
ATOM635OASN144−35.521−10.601−10.658
ATOM636CBASN144−36.691−11.031−13.807
ATOM637CGASN144−36.622−10.352−15.153
ATOM638OD1ASN144−37.177−9.275−15.307
ATOM639ND2ASN144−35.945−10.947−16.157
ATOM640HAASN144−35.298−9.697−12.91
ATOM641HB1ASN144−36.865−12.102−13.949
ATOM642HB2ASN144−37.541−10.635−13.234
ATOM643HD22ASN144−35.886−10.493−17.045
ATOM644HD21ASN144−35.481−11.826−16.03
ATOM645HASN144−33.989−12.3−13.502
ATOM646NASN145−35.467−12.717−11.434
ATOM647CAASN145−35.277−13.308−10.104
ATOM648CASN145−34.37−12.461−9.242
ATOM649OASN145−34.793−12.043−8.178
ATOM650CBASN145−34.606−14.713−10.158
ATOM651CGASN145−35.599−15.81−10.439
ATOM652OD1ASN145−36.093−16.417−9.502
ATOM653ND2ASN145−35.933−16.098−11.71
ATOM654HAASN145−36.25−13.39−9.595
ATOM655HB1ASN145−33.812−14.71−10.919
ATOM656HB2ASN145−34.129−14.963−9.199
ATOM657HD22ASN145−36.626−16.799−11.882
ATOM658HD21ASN145−35.528−15.624−12.488
ATOM659HASN145−35.58−13.329−12.215
ATOM660NVAL146−33.115−12.208−9.67
ATOM661CAVAL146−32.177−11.513−8.79
ATOM662CVAL146−32.732−10.166−8.349
ATOM663OVAL146−32.933−10.01−7.152
ATOM664CBVAL146−30.727−11.501−9.372
ATOM665CG1VAL146−29.809−10.566−8.542
ATOM666CG2VAL146−30.106−12.929−9.419
ATOM667HAVAL146−32.107−12.114−7.869
ATOM668HVAL146−32.811−12.51−10.574
ATOM669HBVAL146−30.75−11.135−10.41
ATOM670HG11VAL146−29.834−10.854−7.479
ATOM671HG12VAL146−28.77−10.629−8.898
ATOM672HG13VAL146−30.144−9.524−8.64
ATOM673HG21VAL146−30.753−13.635−9.961
ATOM674HG22VAL146−29.131−12.902−9.931
ATOM675HG23VAL146−29.945−13.315−8.402
ATOM676NPRO147−33.012−9.151−9.205
ATOM677CAPRO147−33.523−7.891−8.681
ATOM678CPRO147−34.892−8.007−8.042
ATOM679OPRO147−35.1−7.371−7.02
ATOM680CBPRO147−33.464−6.994−9.943
ATOM681CGPRO147−33.573−8.001−11.11
ATOM682CDPRO147−32.744−9.214−10.632
ATOM683HAPRO147−32.828−7.506−7.928
ATOM684HD2PRO147−31.678−9.015−10.813
ATOM685HD1PRO147−33.048−10.138−11.14
ATOM686HG2PRO147−33.2−7.626−12.072
ATOM687HG1PRO147−34.635−8.252−11.222
ATOM688HB1PRO147−34.246−6.217−9.958
ATOM689HB2PRO147−32.477−6.503−10.011
ATOM690NASP148−35.845−8.801−8.581
ATOM691CAASP148−37.138−8.936−7.906
ATOM692CASP148−36.917−9.463−6.504
ATOM693OASP148−37.553−8.999−5.571
ATOM694CBASP148−38.092−9.92−8.637
ATOM695CGASP148−38.594−9.383−9.953
ATOM696OD1ASP148−38.601−10.134−10.966
ATOM697OD2ASP148−39.028−8.201−10.005
ATOM698HAASP148−37.625−7.949−7.842
ATOM699HASP148−35.673−9.345−9.404
ATOM700HB1ASP148−37.579−10.881−8.793
ATOM701HB2ASP148−38.982−10.103−8.014
ATOM702NILE149−36.012−10.451−6.336
ATOM703CAILE149−35.801−11.038−5.014
ATOM704CILE149−35.164−10.028−4.079
ATOM705OILE149−35.58−9.983−2.931
ATOM706CBILE149−35.065−12.41−5.131
ATOM707CG1ILE149−36.039−13.473−5.733
ATOM708CG2ILE149−34.495−12.861−3.762
ATOM709CD1ILE149−35.341−14.776−6.206
ATOM710HAILE149−36.792−11.257−4.579
ATOM711HILE149−35.473−10.787−7.113
ATOM712HBILE149−34.2−12.274−5.799
ATOM713HG11ILE149−36.814−13.73−4.992
ATOM714HG12ILE149−36.55−13.041−6.608
ATOM715HD11ILE149−34.955−15.369−5.365
ATOM716HD12ILE149−36.055−15.406−6.76
ATOM717HD13ILE149−34.507−14.529−6.876
ATOM718HG21ILE149−35.276−12.815−2.987
ATOM719HG22ILE149−34.089−13.881−3.785
ATOM720HG23ILE149−33.665−12.19−3.497
ATOM721NPHE150−34.19−9.178−4.486
ATOM722CAPHE150−33.745−8.144−3.545
ATOM723CPHE150−34.932−7.33−3.09
ATOM724OPHE150−34.998−6.966−1.929
ATOM725CBPHE150−32.833−7.014−4.093
ATOM726CGPHE150−31.503−7.476−4.686
ATOM727CD1PHE150−31.127−7.006−5.947
ATOM728CD2PHE150−30.648−8.337−3.994
ATOM729CE1PHE150−30.022−7.545−6.608
ATOM730CE2PHE150−29.478−8.787−4.611
ATOM731CZPHE150−29.204−8.457−5.942
ATOM732HAPHE150−33.277−8.631−2.674
ATOM733HPHE150−33.807−9.211−5.414
ATOM734HB1PHE150−33.393−6.443−4.852
ATOM735HB2PHE150−32.578−6.325−3.273
ATOM736HD2PHE150−30.875−8.652−2.982
ATOM737HE2PHE150−28.787−9.391−4.046
ATOM738HZPHE150−28.362−8.9−6.463
ATOM739HE1PHE150−29.804−7.259−7.63
ATOM740HD1PHE150−31.699−6.213−6.411
ATOM741NILE151−35.861−6.996−4.01
ATOM742CAILE151−36.937−6.081−3.64
ATOM743CILE151−37.789−6.704−2.552
ATOM744OILE151−38.339−5.969−1.744
ATOM745CBILE151−37.681−5.568−4.909
ATOM746CG1ILE151−36.706−4.698−5.77
ATOM747CG2ILE151−38.946−4.769−4.501
ATOM748CD1ILE151−37.179−4.47−7.228
ATOM749HAILE151−36.473−5.198−3.175
ATOM750HILE151−35.822−7.361−4.945
ATOM751HBILE151−38.009−6.442−5.496
ATOM752HG11ILE151−36.57−3.714−5.298
ATOM753HG12ILE151−35.713−5.169−5.83
ATOM754HD11ILE151−38.069−3.833−7.235
ATOM755HD12ILE151−36.393−3.958−7.808
ATOM756HD13ILE151−37.412−5.423−7.724
ATOM757HG21ILE151−38.687−3.94−3.825
ATOM758HG22ILE151−39.455−4.358−5.38
ATOM759HG23ILE151−39.651−5.44−3.989
ATOM760NILE152−37.881−8.052−2.467
ATOM761CAILE152−38.504−8.656−1.288
ATOM762CILE152−37.66−8.239−0.098
ATOM763OILE152−38.209−7.7680.886
ATOM764CBILE152−38.598−10.215−1.34
ATOM765CG1ILE152−39.452−10.7−2.553
ATOM766CG2ILE152−39.164−10.774−0.001
ATOM767CD1ILE152−39.422−12.243−2.744
ATOM768HAILE152−39.524−8.252−1.174
ATOM769HILE152−37.437−8.643−3.143
ATOM770HBILE152−37.576−10.612−1.457
ATOM771HG11ILE152−40.495−10.363−2.436
ATOM772HG12ILE152−39.062−10.256−3.481
ATOM773HD11ILE152−40.014−12.756−1.971
ATOM774HD12ILE152−39.847−12.519−3.721
ATOM775HD13ILE152−38.387−12.616−2.71
ATOM776HG21ILE152−40.201−10.4360.144
ATOM777HG22ILE152−39.149−11.8730.015
ATOM778HG23ILE152−38.565−10.4410.859
ATOM779NASN153−36.318−8.405−0.166
ATOM780CAASN153−35.472−8.0490.976
ATOM781CASN153−35.652−6.5891.327
ATOM782OASN153−35.829−6.2942.497
ATOM783CBASN153−33.964−8.3310.711
ATOM784CGASN153−33.095−8.3461.948
ATOM785OD1ASN153−33.607−8.4063.053
ATOM786ND2ASN153−31.753−8.3141.799
ATOM787HAASN153−35.799−8.6751.823
ATOM788HASN153−35.889−8.771−0.995
ATOM789HB1ASN153−33.87−9.3280.264
ATOM790HB2ASN153−33.561−7.596−0.002
ATOM791HD22ASN153−31.17−8.3132.612
ATOM792HD21ASN153−31.324−8.2940.896
ATOM793NLEU154−35.623−5.6550.346
ATOM794CALEU154−35.834−4.2410.674
ATOM795CLEU154−37.148−4.1081.404
ATOM796OLEU154−37.226−3.3982.393
ATOM797CBLEU154−35.919−3.288−0.559
ATOM798CGLEU154−34.587−3.137−1.355
ATOM799CD1LEU154−34.808−2.434−2.723
ATOM800CD2LEU154−33.524−2.322−0.563
ATOM801HALEU154−35.034−3.9131.351
ATOM802HLEU154−35.497−5.925−0.609
ATOM803HB1LEU154−36.708−3.679−1.22
ATOM804HB2LEU154−36.235−2.285−0.229
ATOM805HGLEU154−34.218−4.147−1.584
ATOM806HD21LEU154−33.278−2.7830.402
ATOM807HD22LEU154−32.596−2.241−1.15
ATOM808HD23LEU154−33.894−1.305−0.363
ATOM809HD11LEU154−35.036−1.373−2.574
ATOM810HD12LEU154−33.902−2.504−3.345
ATOM811HD13LEU154−35.64−2.89−3.273
ATOM812NSER155−38.211−4.7810.923
ATOM813CASER155−39.513−4.5921.554
ATOM814CSER155−39.527−5.1932.946
ATOM815OSER155−40.066−4.5723.849
ATOM816CBSER155−40.633−5.1840.664
ATOM817OGSER155−40.736−4.516−0.607
ATOM818HASER155−39.708−3.5111.634
ATOM819HSER155−38.122−5.4060.143
ATOM820HB1SER155−40.456−6.2610.519
ATOM821HB2SER155−41.596−5.0371.172
ATOM822HGSER155−39.962−4.621−1.153
ATOM823NVAL156−38.942−6.3933.165
ATOM824CAVAL156−38.882−6.9444.525
ATOM825CVAL156−38.073−6.0045.388
ATOM826OVAL156−38.521−5.6246.458
ATOM827CBVAL156−38.266−8.3764.559
ATOM828CG1VAL156−37.94−8.8246.014
ATOM829CG2VAL156−39.229−9.4013.896
ATOM830HAVAL156−39.896−6.9984.952
ATOM831HVAL156−38.501−6.8842.411
ATOM832HBVAL156−37.319−8.3713.992
ATOM833HG11VAL156−38.842−8.7696.642
ATOM834HG12VAL156−37.57−9.8616.021
ATOM835HG13VAL156−37.161−8.1886.463
ATOM836HG21VAL156−39.519−9.082.885
ATOM837HG22VAL156−38.745−10.3873.818
ATOM838HG23VAL156−40.143−9.5114.5
ATOM839NVAL157−36.868−5.6174.923
ATOM840CAVAL157−36.055−4.6495.66
ATOM841CVAL157−36.907−3.4586.04
ATOM842OVAL157−36.975−3.0987.206
ATOM843CBVAL157−34.85−4.2014.776
ATOM844CG1VAL157−34.257−2.8365.199
ATOM845CG2VAL157−33.731−5.2794.747
ATOM846HAVAL157−35.678−5.1126.585
ATOM847HVAL157−36.537−5.9754.048
ATOM848HBVAL157−35.208−4.0543.748
ATOM849HG11VAL157−33.894−2.8796.236
ATOM850HG12VAL157−34.998−2.0285.113
ATOM851HG13VAL157−33.425−2.5984.519
ATOM852HG21VAL157−34.138−6.274.503
ATOM853HG22VAL157−32.983−5.0193.984
ATOM854HG23VAL157−33.231−5.3355.725
ATOM855NASP158−37.564−2.8215.049
ATOM856CAASP158−38.346−1.6265.346
ATOM857CASP158−39.519−1.9666.245
ATOM858OASP158−39.89−1.1237.047
ATOM859CBASP158−38.755−0.8914.042
ATOM860CGASP158−37.56−0.2913.33
ATOM861OD1ASP158−36.6050.1594.026
ATOM862OD2ASP158−37.565−0.242.068
ATOM863HAASP158−37.707−0.9375.923
ATOM864HASP158−37.516−3.1464.101
ATOM865HB1ASP158−39.288−1.5883.379
ATOM866HB2ASP158−39.438−0.074.293
ATOM867NLEU159−40.125−3.1756.189
ATOM868CALEU159−41.112−3.5187.215
ATOM869CLEU159−40.446−3.5798.57
ATOM870OLEU159−40.995−3.0279.511
ATOM871CBLEU159−41.849−4.8757.016
ATOM872CGLEU159−42.995−4.8975.962
ATOM873CD1LEU159−43.721−6.276.053
ATOM874CD2LEU159−44.042−3.7696.181
ATOM875HALEU159−41.835−2.6967.303
ATOM876HLEU159−39.865−3.8625.508
ATOM877HB1LEU159−41.108−5.6536.783
ATOM878HB2LEU159−42.315−5.1547.97
ATOM879HGLEU159−42.556−4.7874.957
ATOM880HD21LEU159−43.618−2.7756.002
ATOM881HD22LEU159−44.873−3.8845.474
ATOM882HD23LEU159−44.444−3.8017.205
ATOM883HD11LEU159−44.187−6.4027.042
ATOM884HD12LEU159−44.519−6.3415.302
ATOM885HD13LEU159−43.012−7.0965.892
ATOM886NLEU160−39.274−4.2258.732
ATOM887CALEU160−38.667−4.26210.064
ATOM888CLEU160−38.485−2.84510.574
ATOM889OLEU160−38.683−2.60811.756
ATOM890CBLEU160−37.326−5.04610.075
ATOM891CGLEU160−37.479−6.5699.761
ATOM892CD1LEU160−36.088−7.1879.45
ATOM893CD2LEU160−38.147−7.35310.927
ATOM894HALEU160−39.377−4.74610.752
ATOM895HLEU160−38.809−4.647.946
ATOM896HB1LEU160−36.663−4.5719.334
ATOM897HB2LEU160−36.852−4.93611.063
ATOM898HGLEU160−38.102−6.7118.862
ATOM899HD21LEU160−39.184−7.03111.097
ATOM900HD22LEU160−38.173−8.42910.697
ATOM901HD23LEU160−37.578−7.21411.859
ATOM902HD11LEU160−35.407−7.05210.304
ATOM903HD12LEU160−36.173−8.2639.232
ATOM904HD13LEU160−35.65−6.6998.566
ATOM905NPHE161−38.139−1.8779.696
ATOM906CAPHE161−38.089−0.47310.123
ATOM907CPHE161−39.4230.03910.629
ATOM908OPHE161−39.4050.95411.436
ATOM909CBPHE161−37.5210.4018.968
ATOM910CGPHE161−37.3971.8929.319
ATOM911CD1PHE161−36.3132.36510.064
ATOM912CD2PHE161−38.3572.8078.877
ATOM913CE1PHE161−36.2213.7210.391
ATOM914CE2PHE161−38.2834.169.215
ATOM915CZPHE161−37.2164.6149.991
ATOM916HAPHE161−37.423−0.39310.99
ATOM917HPHE161−37.951−2.1078.736
ATOM918HB1PHE161−36.5240.0268.684
ATOM919HB2PHE161−38.1710.38.09
ATOM920HD2PHE161−39.1692.4698.253
ATOM921HE2PHE161−39.0474.8538.877
ATOM922HZPHE161−37.1585.65410.282
ATOM923HE1PHE161−35.3754.08410.958
ATOM924HD1PHE161−35.5351.68510.383
ATOM925NLEU162−40.579−0.51510.193
ATOM926CALEU162−41.886−0.00610.619
ATOM927CLEU162−42.744−0.95311.434
ATOM928OLEU162−43.766−0.4811.903
ATOM929CBLEU162−42.6790.3819.344
ATOM930CGLEU162−41.9191.3988.449
ATOM931CD1LEU162−42.6561.5927.097
ATOM932CD2LEU162−41.7162.7539.187
ATOM933HALEU162−41.7880.88611.255
ATOM934HLEU162−40.565−1.2539.521
ATOM935HB1LEU162−42.87−0.548.771
ATOM936HB2LEU162−43.6460.8189.638
ATOM937HGLEU162−40.9370.978.193
ATOM938HD21LEU162−40.9582.6599.978
ATOM939HD22LEU162−41.3773.5348.491
ATOM940HD23LEU162−42.6473.0949.657
ATOM941HD11LEU162−43.6681.9857.253
ATOM942HD12LEU162−42.0922.2976.467
ATOM943HD13LEU162−42.7360.6356.556
ATOM944NLEU163−42.429−2.25111.645
ATOM945CALEU163−43.296−3.06812.503
ATOM946CLEU163−42.974−2.81113.958
ATOM947OLEU163−43.889−2.6214.744
ATOM948CBLEU163−43.173−4.59612.252
ATOM949CGLEU163−43.53−5.0310.801
ATOM950CD1LEU163−43.334−6.56510.651
ATOM951CD2LEU163−44.967−4.62610.368
ATOM952HALEU163−44.353−2.79212.358
ATOM953HLEU163−41.597−2.65311.257
ATOM954HB1LEU163−42.136−4.90112.472
ATOM955HB2LEU163−43.837−5.12712.954
ATOM956HGLEU163−42.827−4.52810.126
ATOM957HD21LEU163−45.062−3.53510.258
ATOM958HD22LEU163−45.213−5.0749.393
ATOM959HD23LEU163−45.702−4.97711.108
ATOM960HD11LEU163−44.032−7.10411.31
ATOM961HD12LEU163−43.519−6.8849.613
ATOM962HD13LEU163−42.305−6.85410.917
ATOM963NGLY164−41.682−2.81414.353
ATOM964CAGLY164−41.355−2.58115.758
ATOM965CGLY164−41.366−1.1116.102
ATOM966OGLY164−41.744−0.78317.216
ATOM967HA2GLY164−40.357−2.98515.985
ATOM968HA1GLY164−42.069−3.11216.409
ATOM969HGLY164−40.933−2.95813.7
ATOM970NMET165−40.933−0.20215.193
ATOM971CAMET165−40.8661.21315.56
ATOM972CMET165−42.1481.68516.221
ATOM973OMET165−42.0282.21717.312
ATOM974CBMET165−40.4542.17414.405
ATOM975CGMET165−38.9292.43814.313
ATOM976SDMET165−38.6753.64312.963
ATOM977CEMET165−37.0574.33413.409
ATOM978HAMET165−40.0841.29116.333
ATOM979HMET165−40.609−0.48214.288
ATOM980HB1MET165−40.7811.78313.433
ATOM981HB2MET165−40.9423.14814.564
ATOM982HG1MET165−38.3731.51314.095
ATOM983HG2MET165−38.5622.86615.259
ATOM984LPD1MET165−38.6563.33812.357
ATOM985LPD2MET165−39.1574.12112.961
ATOM986HE1MET165−36.2843.55913.309
ATOM987HE2MET165−36.8175.18812.76
ATOM988HE3MET165−37.0974.69114.443
ATOM989NPRO166−43.381.54115.677
ATOM990CAPRO166−44.5541.98316.414
ATOM991CPRO166−44.5741.53917.855
ATOM992OPRO166−44.9432.33518.701
ATOM993CBPRO166−45.671.29115.597
ATOM994CGPRO166−45.0941.28914.165
ATOM995CDPRO166−43.6040.9314.378
ATOM996HAPRO166−44.633.08116.335
ATOM997HD2PRO166−431.34513.564
ATOM998HD1PRO166−43.465−0.15614.45
ATOM999HG2PRO166−45.1652.31413.767
ATOM1000HG1PRO166−45.6190.613.483
ATOM1001HB1PRO166−46.6411.80715.677
ATOM1002HB2PRO166−45.7950.24415.922
ATOM1003NPHE167−44.180.28918.178
ATOM1004CAPHE167−44.225−0.12719.579
ATOM1005CPHE167−43.360.79320.412
ATOM1006OPHE167−43.7841.21421.476
ATOM1007CBPHE167−43.743−1.5919.762
ATOM1008CGPHE167−43.93−2.02421.224
ATOM1009CD1PHE167−45.112−2.65221.631
ATOM1010CD2PHE167−42.919−1.79522.164
ATOM1011CE1PHE167−45.275−3.0622.958
ATOM1012CE2PHE167−43.081−2.19523.493
ATOM1013CZPHE167−44.26−2.83223.891
ATOM1014HAPHE167−45.269−0.05919.93
ATOM1015HPHE167−43.836−0.34517.481
ATOM1016HB1PHE167−44.323−2.25419.102
ATOM1017HB2PHE167−42.684−1.68219.479
ATOM1018HD2PHE167−42.001−1.30321.865
ATOM1019HE2PHE167−42.292−2.01124.216
ATOM1020HZPHE167−44.386−3.14824.922
ATOM1021HE1PHE167−46.192−3.55523.265
ATOM1022HD1PHE167−45.911−2.82720.918
ATOM1023NMET168−42.1331.10919.939
ATOM1024CAMET168−41.231.94420.73
ATOM1025CMET168−41.4893.41220.475
ATOM1026OMET168−41.6764.14721.43
ATOM1027CBMET168−39.7561.54520.45
ATOM1028CGMET168−39.4950.0920.925
ATOM1029SDMET168−37.715−0.27720.907
ATOM1030CEMET168−37.748−2.03421.382
ATOM1031HAMET168−41.4061.77321.806
ATOM1032HMET168−41.8370.79819.031
ATOM1033HB1MET168−39.5241.64819.379
ATOM1034HB2MET168−39.092.22420.999
ATOM1035HG1MET168−39.824−0.04321.967
ATOM1036HG2MET168−40.026−0.62920.282
ATOM1037LPD1MET168−37.446−0.18820.29
ATOM1038LPD2MET168−37.3760.09921.359
ATOM1039HE1MET168−38.216−2.6320.586
ATOM1040HE2MET168−36.716−2.38221.534
ATOM1041HE3MET168−38.32−2.16522.311
ATOM1042NILE169−41.5273.89219.214
ATOM1043CAILE169−41.8555.29918.98
ATOM1044CILE169−43.1695.62719.66
ATOM1045OILE169−43.2886.72820.175
ATOM1046CBILE169−41.8525.69417.466
ATOM1047CG1ILE169−40.3915.65616.91
ATOM1048CG2ILE169−42.5047.09217.252
ATOM1049CD1ILE169−40.2536.09615.427
ATOM1050HAILE169−41.0895.90919.487
ATOM1051HILE169−41.3763.28318.438
ATOM1052HBILE169−42.4684.96216.916
ATOM1053HG11ILE169−39.7396.30817.514
ATOM1054HG12ILE169−40.0044.62716.993
ATOM1055HD11ILE169−40.3917.18115.31
ATOM1056HD12ILE169−39.2455.85415.057
ATOM1057HD13ILE169−40.9885.57514.801
ATOM1058HG21ILE169−41.9357.86617.79
ATOM1059HG22ILE169−42.5497.35916.187
ATOM1060HG23ILE169−43.5437.10117.614
ATOM1061NHIS170−44.1784.72819.718
ATOM1062CAHIS170−45.3965.120.437
ATOM1063CHIS170−45.0655.43921.874
ATOM1064OHIS170−45.7156.31922.412
ATOM1065CBHIS170−46.544.05620.402
ATOM1066CGHIS170−47.7884.6521.01
ATOM1067ND1HIS170−47.9754.82822.299
ATOM1068CD2HIS170−48.8665.08520.326
ATOM1069CE1HIS170−49.1345.36922.502
ATOM1070NE2HIS170−49.7055.54421.399
ATOM1071HAHIS170−45.7856.00319.94
ATOM1072HHIS170−44.113.81919.303
ATOM1073HB1HIS170−46.7653.80419.354
ATOM1074HB2HIS170−46.2493.13820.936
ATOM1075HD2HIS170−49.0575.09419.253
ATOM1076HE1HIS170−49.5635.63823.467
ATOM1077HD1HIS170−47.3014.58423.039
ATOM1078NGLN171−44.0724.79622.533
ATOM1079CAGLN171−43.6895.25823.87
ATOM1080CGLN171−43.3526.7323.775
ATOM1081OGLN171−43.7787.49624.623
ATOM1082CBGLN171−42.4514.53524.476
ATOM1083CGGLN171−42.73.04424.824
ATOM1084CDGLN171−43.5992.93726.033
ATOM1085OE1GLN171−43.092.99827.142
ATOM1086NE2GLN171−44.932.79225.869
ATOM1087HAGLN171−44.5495.14224.547
ATOM1088HGLN171−43.5494.06122.099
ATOM1089HB1GLN171−41.5984.61723.788
ATOM1090HB2GLN171−42.1585.04725.405
ATOM1091HG1GLN171−43.1212.50223.963
ATOM1092HG2GLN171−41.7382.56625.075
ATOM1093HE22GLN171−45.5142.73926.68
ATOM1094HE21GLN171−45.3482.73524.962
ATOM1095NLEU172−42.5947.1622.743
ATOM1096CALEU172−42.2938.58422.623
ATOM1097CLEU172−43.5859.36322.533
ATOM1098OLEU172−43.73110.36523.213
ATOM1099CBLEU172−41.4488.92321.357
ATOM1100CGLEU172−40.78310.32921.444
ATOM1101CD1LEU172−39.510.28622.321
ATOM1102CD2LEU172−40.43310.86220.027
ATOM1103HALEU172−41.7618.8823.54
ATOM1104HLEU172−42.2646.52622.041
ATOM1105HB1LEU172−42.1078.88720.477
ATOM1106HB2LEU172−40.6618.17221.196
ATOM1107HGLEU172−41.511.0421.89
ATOM1108HD21LEU172−41.33410.92419.397
ATOM1109HD22LEU172−40.00711.87420.102
ATOM1110HD23LEU172−39.70510.19919.535
ATOM1111HD11LEU172−38.7379.64321.856
ATOM1112HD12LEU172−39.08511.29722.429
ATOM1113HD13LEU172−39.7039.89623.327
ATOM1114NMET173−44.5368.91821.683
ATOM1115CAMET173−45.7629.69121.487
ATOM1116CMET173−46.5779.73522.762
ATOM1117OMET173−47.03110.80423.139
ATOM1118CBMET173−46.6429.09320.353
ATOM1119CGMET173−45.9529.18618.964
ATOM1120SDMET173−46.8618.15217.768
ATOM1121CEMET173−46.1088.66316.189
ATOM1122HAMET173−45.49110.72321.206
ATOM1123HMET173−44.4068.05621.187
ATOM1124HB1MET173−46.878.04520.598
ATOM1125HB2MET173−47.6019.63520.301
ATOM1126HG1MET173−45.94210.23218.624
ATOM1127HG2MET173−44.9168.81918.995
ATOM1128LPD1MET173−46.7627.49117.887
ATOM1129LPD2MET173−47.5278.28617.78
ATOM1130HE1MET173−46.3277.90415.424
ATOM1131HE2MET173−46.5459.62115.873
ATOM1132HE3MET173−45.0198.77216.289
ATOM1133NGLY174−46.7948.58423.434
ATOM1134CAGLY174−47.648.57824.624
ATOM1135CGLY174−46.9149.11725.831
ATOM1136OGLY174−47.4579.96526.521
ATOM1137HA2GLY174−47.9557.5524.866
ATOM1138HA1GLY174−48.5549.16624.44
ATOM1139HGLY174−46.3817.72323.131
ATOM1140NASN175−45.6918.62426.127
ATOM1141CAASN175−44.9879.09327.32
ATOM1142CASN175−44.40510.4727.092
ATOM1143OASN175−44.52811.30327.975
ATOM1144CBASN175−43.8398.13527.719
ATOM1145CGASN175−44.3646.7327.888
ATOM1146OD1ASN175−44.1585.90927.009
ATOM1147ND2ASN175−45.0536.41229.002
ATOM1148HAASN175−45.6979.13728.164
ATOM1149HASN175−45.2497.94725.533
ATOM1150HB1ASN175−43.0648.15626.939
ATOM1151HB2ASN175−43.3828.47628.661
ATOM1152HD22ASN175−45.4045.48129.107
ATOM1153HD21ASN175−45.217.07729.732
ATOM1154NGLY176−43.76210.72625.928
ATOM1155CAGLY176−43.21912.05525.644
ATOM1156CGLY176−41.74811.99725.307
ATOM1157OGLY176−41.37612.43824.232
ATOM1158HA2GLY176−43.31712.75226.49
ATOM1159HA1GLY176−43.77812.48924.799
ATOM1160HGLY176−43.67610.03225.208
ATOM1161NVAL177−40.89111.48426.223
ATOM1162CAVAL177−39.44211.52826.002
ATOM1163CVAL177−38.79810.23726.469
ATOM1164OVAL177−39.2629.71427.469
ATOM1165CBVAL177−38.81912.73626.762
ATOM1166CG1VAL177−37.27912.80926.555
ATOM1167CG2VAL177−39.47314.07226.312
ATOM1168HAVAL177−39.2211.67124.936
ATOM1169HVAL177−41.22111.11827.096
ATOM1170HBVAL177−39.01712.60427.84
ATOM1171HG11VAL177−37.03512.88425.484
ATOM1172HG12VAL177−36.86213.68827.069
ATOM1173HG13VAL177−36.78511.91826.969
ATOM1174HG21VAL177−40.5514.07826.538
ATOM1175HG22VAL177−39.01614.92326.84
ATOM1176HG23VAL177−39.33814.2225.229
ATOM1177NTRP178−37.7469.73825.77
ATOM1178CATRP178−36.9888.55226.191
ATOM1179CTRP178−37.5627.75327.342
ATOM1180OTRP178−36.967.70628.403
ATOM1181CBTRP178−35.518.96326.455
ATOM1182CGTRP178−34.9239.51125.181
ATOM1183CD1TRP178−34.48310.75324.913
ATOM1184CD2TRP178−34.7568.70823.918
ATOM1185NE1TRP178−34.10910.81923.659
ATOM1186CE2TRP178−34.2869.64523.022
ATOM1187CE3TRP178−34.9727.37923.566
ATOM1188CZ2TRP178−34.0769.3221.682
ATOM1189CZ3TRP178−34.8597.06722.208
ATOM1190CH2TRP178−34.4648.03721.274
ATOM1191HATRP178−36.9987.84925.347
ATOM1192HTRP178−37.43310.19524.935
ATOM1193HB1TRP178−35.4729.71227.261
ATOM1194HB2TRP178−34.9138.08926.758
ATOM1195HE1TRP178−33.74511.67123.207
ATOM1196HD1TRP178−34.45511.57625.628
ATOM1197HZ2TRP178−33.63810.02720.99
ATOM1198HH2TRP178−34.4627.79420.218
ATOM1199HZ3TRP178−35.0826.0621.88
ATOM1200HE3TRP178−35.2136.63424.313
ATOM1201NHIS179−38.7297.127.135
ATOM1202CAHIS179−39.3676.33328.209
ATOM1203CHIS179−39.0614.85228.129
ATOM1204OHIS179−39.8054.07428.701
ATOM1205CBHIS179−40.8836.6628.17
ATOM1206CGHIS179−41.7135.99329.236
ATOM1207ND1HIS179−42.2654.80729.103
ATOM1208CD2HIS179−42.0126.50830.445
ATOM1209CE1HIS179−42.9184.50830.179
ATOM1210NE2HIS179−42.8165.45131
ATOM1211HAHIS179−39.0086.65529.201
ATOM1212HHIS179−39.187.13626.241
ATOM1213HB1HIS179−40.9777.75228.284
ATOM1214HB2HIS179−41.2966.38427.191
ATOM1215HD2HIS179−41.7277.46130.886
ATOM1216HE1HIS179−43.4753.58730.354
ATOM1217HD1HIS179−42.1914.20228.268
ATOM1218NPHE180−37.9714.40327.463
ATOM1219CAPHE180−37.6262.9827.515
ATOM1220CPHE180−36.1352.77427.311
ATOM1221OPHE180−35.7151.92126.546
ATOM1222CBPHE180−38.5792.17326.587
ATOM1223CGPHE180−38.1410.70726.46
ATOM1224CD1PHE180−38.183−0.13227.579
ATOM1225CD2PHE180−37.6930.19425.237
ATOM1226CE1PHE180−37.719−1.44827.496
ATOM1227CE2PHE180−37.223−1.1225.154
ATOM1228CZPHE180−37.229−1.94126.284
ATOM1229HAPHE180−37.7772.6128.543
ATOM1230HPHE180−37.3825.01826.935
ATOM1231HB1PHE180−39.6012.18226.997
ATOM1232HB2PHE180−38.6352.65925.603
ATOM1233HD2PHE180−37.7040.80924.345
ATOM1234HE2PHE180−36.852−1.50124.21
ATOM1235HZPHE180−36.855−2.95826.22
ATOM1236HE1PHE180−37.741−2.08828.373
ATOM1237HD1PHE180−38.5750.23528.522
ATOM1238NGLY181−35.3023.55828.038
ATOM1239CAGLY181−33.8553.33628.01
ATOM1240CGLY181−33.2183.53426.656
ATOM1241OGLY181−33.9033.83425.692
ATOM1242HA2GLY181−33.6522.30428.333
ATOM1243HA1GLY181−33.3494.01728.714
ATOM1244HGLY181−35.664.26628.652
ATOM1245NGLU182−31.883.3526.558
ATOM1246CAGLU182−31.2373.425.245
ATOM1247CGLU182−31.6732.20824.418
ATOM1248OGLU182−31.5032.25623.211
ATOM1249CBGLU182−29.6883.51225.338
ATOM1250CGGLU182−29.2714.88525.933
ATOM1251CDGLU182−27.7864.96426.168
ATOM1252OE1GLU182−27.0235.34225.234
ATOM1253OE2GLU182−27.3384.67127.311
ATOM1254HAGLU182−31.5924.324.716
ATOM1255HGLU182−31.3293.10527.358
ATOM1256HB1GLU182−29.2992.69125.961
ATOM1257HB2GLU182−29.2443.41924.333
ATOM1258HG1GLU182−29.5635.69825.249
ATOM1259HG2GLU182−29.785.05326.895
ATOM1260NTHR183−32.2631.13424.995
ATOM1261CATHR183−32.8520.09624.149
ATOM1262CTHR183−33.8610.72723.207
ATOM1263OTHR183−33.9230.36322.043
ATOM1264CBTHR183−33.545−0.99725.006
ATOM1265OG1THR183−32.624−1.3826.043
ATOM1266CG2THR183−33.917−2.23224.142
ATOM1267HATHR183−32.028−0.37723.596
ATOM1268HTHR183−32.3451.03125.987
ATOM1269HBTHR183−34.451−0.56425.467
ATOM1270HG1THR183−32.982−2.03426.635
ATOM1271HG23THR183−34.558−1.94423.295
ATOM1272HG21THR183−33.004−2.70223.745
ATOM1273HG22THR183−34.455−2.97324.752
ATOM1274NMET184−34.661.70323.69
ATOM1275CAMET184−35.572.42722.795
ATOM1276CMET184−34.7973.04121.643
ATOM1277OMET184−35.2012.93520.495
ATOM1278CBMET184−36.263.56623.597
ATOM1279CGMET184−37.4474.23522.869
ATOM1280SDMET184−38.0715.54723.968
ATOM1281CEMET184−39.0956.48322.801
ATOM1282HAMET184−36.3281.7322.409
ATOM1283HMET184−34.6141.96124.661
ATOM1284HB1MET184−36.6423.16224.541
ATOM1285HB2MET184−35.5174.33323.846
ATOM1286HG1MET184−37.1414.64921.896
ATOM1287HG2MET184−38.2633.51622.724
ATOM1288LPD1MET184−38.445.29324.478
ATOM1289LPD2MET184−37.5675.92524.219
ATOM1290HE1MET184−39.7855.80522.279
ATOM1291HE2MET184−39.6677.23123.367
ATOM1292HE3MET184−38.4486.98622.068
ATOM1293NCYS185−33.6623.69921.963
ATOM1294CACYS185−32.8254.32920.938
ATOM1295CCYS185−32.1973.26620.058
ATOM1296OCYS185−31.9713.51618.884
ATOM1297CBCYS185−31.7735.221.683
ATOM1298SGCYS185−30.7656.38320.746
ATOM1299HACYS185−33.4544.98220.317
ATOM1300HCYS185−33.3613.72322.918
ATOM1301HB1CYS185−32.2925.82822.424
ATOM1302HB2CYS185−31.0594.55422.214
ATOM1303LPG1CYS185−30.5476.8821.153
ATOM1304LPG2CYS185−30.2326.06820.467
ATOM1305NTHR186−31.9142.06120.605
ATOM1306CATHR186−31.3340.99219.795
ATOM1307CTHR186−32.2390.61818.654
ATOM1308OTHR186−31.7910.68717.522
ATOM1309CBTHR186−30.986−0.28720.614
ATOM1310OG1THR186−29.827−0.03621.429
ATOM1311CG2THR186−30.742−1.54919.74
ATOM1312HATHR186−30.4031.38419.369
ATOM1313HTHR186−32.0861.88221.574
ATOM1314HBTHR186−31.833−0.55721.259
ATOM1315HG1THR186−29.940.69122.034
ATOM1316HG23THR186−31.671−1.8819.25
ATOM1317HG21THR186−29.995−1.3718.957
ATOM1318HG22THR186−30.385−2.37320.376
ATOM1319NLEU187−33.4980.19918.898
ATOM1320CALEU187−34.321−0.22717.766
ATOM1321CLEU187−34.4030.90216.764
ATOM1322OLEU187−34.2320.6715.576
ATOM1323CBLEU187−35.764−0.59618.203
ATOM1324CGLEU187−36.67−1.06817.025
ATOM1325CD1LEU187−36.326−2.51316.564
ATOM1326CD2LEU187−38.165−0.99817.435
ATOM1327HALEU187−33.831−1.09717.303
ATOM1328HLEU187−33.8640.16719.833
ATOM1329HB1LEU187−35.73−1.37718.978
ATOM1330HB2LEU187−36.1950.31218.651
ATOM1331HGLEU187−36.552−0.38616.166
ATOM1332HD21LEU187−38.4360.01317.773
ATOM1333HD22LEU187−38.781−1.24116.561
ATOM1334HD23LEU187−38.39−1.71218.239
ATOM1335HD11LEU187−35.284−2.59716.229
ATOM1336HD12LEU187−36.975−2.80915.724
ATOM1337HD13LEU187−36.481−3.22417.39
ATOM1338NILE188−34.6712.13517.251
ATOM1339CAILE188−34.83.27516.343
ATOM1340CILE188−33.5933.33515.433
ATOM1341OILE188−33.7513.57514.246
ATOM1342CBILE188−34.9854.61117.139
ATOM1343CG1ILE188−36.4324.67717.728
ATOM1344CG2ILE188−34.6485.87316.288
ATOM1345CD1ILE188−36.6385.7918.79
ATOM1346HAILE188−35.6853.10215.713
ATOM1347HILE188−34.772.28118.238
ATOM1348HBILE188−34.2574.60417.966
ATOM1349HG11ILE188−37.1614.82616.917
ATOM1350HG12ILE188−36.6773.7218.217
ATOM1351HD11ILE188−36.566.79618.353
ATOM1352HD12ILE188−37.6385.69719.245
ATOM1353HD13ILE188−35.8885.68519.585
ATOM1354HG21ILE188−35.3275.96115.431
ATOM1355HG22ILE188−34.7266.78916.89
ATOM1356HG23ILE188−33.6175.83615.907
ATOM1357NTHR189−32.3733.13215.973
ATOM1358CATHR189−31.1773.31415.151
ATOM1359CTHR189−30.8612.05914.377
ATOM1360OTHR189−30.632.13513.182
ATOM1361CBTHR189−29.8983.62115.979
ATOM1362OG1THR189−30.1374.52717.058
ATOM1363CG2THR189−28.7954.26815.099
ATOM1364HATHR189−31.3464.16114.467
ATOM1365HTHR189−32.2842.84516.928
ATOM1366HBTHR189−29.5222.68616.419
ATOM1367HG1THR189−30.6954.19517.756
ATOM1368HG23THR189−28.4743.58114.301
ATOM1369HG21THR189−29.1635.19914.641
ATOM1370HG22THR189−27.9244.52515.722
ATOM1371NALA190−30.8150.89515.064
ATOM1372CAALA190−30.397−0.33914.412
ATOM1373CALA190−31.162−0.51713.129
ATOM1374OALA190−30.562−0.89512.136
ATOM1375CBALA190−30.658−1.56815.323
ATOM1376HAALA190−29.318−0.27214.189
ATOM1377HALA190−31.0350.86116.038
ATOM1378HB1ALA190−30.367−2.49714.81
ATOM1379HB2ALA190−30.071−1.48216.251
ATOM1380HB3ALA190−31.726−1.62815.585
ATOM1381NMET191−32.485−0.24513.121
ATOM1382CAMET191−33.23−0.40911.879
ATOM1383CMET191−32.9120.7210.92
ATOM1384OMET191−32.690.4419.752
ATOM1385CBMET191−34.757−0.49512.108
ATOM1386CGMET191−35.195−1.64413.055
ATOM1387SDMET191−34.768−3.27312.352
ATOM1388CEMET191−33.318−3.75213.344
ATOM1389HAMET191−32.929−1.35411.403
ATOM1390HMET191−32.9560.10613.936
ATOM1391HB1MET191−35.1260.46212.514
ATOM1392HB2MET191−35.199−0.66811.116
ATOM1393HG1MET191−34.748−1.52814.052
ATOM1394HG2MET191−36.29−1.62213.167
ATOM1395LPD1MET191−35.277−3.71612.43
ATOM1396LPD2MET191−34.61−3.22311.693
ATOM1397HE1MET191−33.595−3.81514.407
ATOM1398HE2MET191−32.966−4.73713.005
ATOM1399HE3MET191−32.507−3.02213.221
ATOM1400NASP192−32.8851.99411.379
ATOM1401CAASP192−32.5493.09910.472
ATOM1402CASP192−31.2582.789.75
ATOM1403OASP192−31.1872.8368.531
ATOM1404CBASP192−32.3784.43411.258
ATOM1405CGASP192−32.2055.62510.356
ATOM1406OD1ASP192−31.2586.4310.58
ATOM1407OD2ASP192−33.0325.7779.422
ATOM1408HAASP192−33.3553.2099.728
ATOM1409HASP192−33.0842.19712.341
ATOM1410HB1ASP192−33.2664.63811.872
ATOM1411HB2ASP192−31.5184.37111.939
ATOM1412NALA193−30.212.42410.523
ATOM1413CAALA193−28.9142.1329.925
ATOM1414CALA193−28.9810.8339.151
ATOM1415OALA193−28.4740.788.042
ATOM1416CBALA193−27.8322.06411.033
ATOM1417HAALA193−28.6412.9589.249
ATOM1418HALA193−30.3162.3311.514
ATOM1419HB1ALA193−26.851.80610.608
ATOM1420HB2ALA193−27.7523.04111.536
ATOM1421HB3ALA193−28.1131.31111.783
ATOM1422NASN194−29.595−0.2419.698
ATOM1423CAASN194−29.638−1.4988.953
ATOM1424CASN194−30.258−1.2667.599
ATOM1425OASN194−29.748−1.7956.625
ATOM1426CBASN194−30.407−2.6359.677
ATOM1427CGASN194−30.315−3.9188.888
ATOM1428OD1ASN194−29.432−4.7139.168
ATOM1429ND2ASN194−31.193−4.1517.89
ATOM1430HAASN194−28.603−1.8388.799
ATOM1431HASN194−30.02−0.19410.604
ATOM1432HB1ASN194−29.974−2.81510.672
ATOM1433HB2ASN194−31.46−2.3499.804
ATOM1434HD22ASN194−31.101−4.9847.344
ATOM1435HD21ASN194−31.917−3.5017.665
ATOM1436NSER195−31.356−0.4857.501
ATOM1437CASER195−31.933−0.2466.182
ATOM1438CSER195−30.9880.5995.362
ATOM1439OSER195−30.7060.2474.227
ATOM1440CBSER195−33.3570.3656.242
ATOM1441OGSER195−33.9140.3594.914
ATOM1442HASER195−32.014−1.2175.676
ATOM1443HSER195−31.763−0.0418.304
ATOM1444HB1SER195−33.974−0.2576.914
ATOM1445HB2SER195−33.321.396.647
ATOM1446HGSER195−34.840.5924.882
ATOM1447NGLN196−30.4711.7135.929
ATOM1448CAGLN196−29.5282.5425.179
ATOM1449CGLN196−28.4411.6954.553
ATOM1450OGLN196−28.1781.8273.366
ATOM1451CBGLN196−28.8473.5766.119
ATOM1452CGGLN196−27.8514.5125.389
ATOM1453CDGLN196−27.2545.5276.338
ATOM1454OE1GLN196−27.3255.3537.544
ATOM1455NE2GLN196−26.6416.6115.824
ATOM1456HAGLN196−30.0853.0764.391
ATOM1457HGLN196−30.7311.9856.861
ATOM1458HB1GLN196−29.6224.1866.607
ATOM1459HB2GLN196−28.2913.0426.902
ATOM1460HG1GLN196−27.023.9294.961
ATOM1461HG2GLN196−28.3755.0234.569
ATOM1462HE22GLN196−26.2277.2846.437
ATOM1463HE21GLN196−26.5996.7514.839
ATOM1464NPHE197−27.7760.8275.348
ATOM1465CAPHE197−26.6350.0834.821
ATOM1466CPHE197−27.051−1.1644.073
ATOM1467OPHE197−26.392−1.4923.099
ATOM1468CBPHE197−25.592−0.2075.932
ATOM1469CGPHE197−24.9341.1186.36
ATOM1470CD1PHE197−24.0021.7345.517
ATOM1471CD2PHE197−25.2461.737.579
ATOM1472CE1PHE197−23.3382.8985.914
ATOM1473CE2PHE197−24.6022.9067.973
ATOM1474CZPHE197−23.6413.4897.144
ATOM1475HAPHE197−26.1150.7174.091
ATOM1476HPHE197−28.0480.6846.303
ATOM1477HB1PHE197−26.067−0.7276.779
ATOM1478HB2PHE197−24.803−0.8655.536
ATOM1479HD2PHE197−25.9931.2968.229
ATOM1480HE2PHE197−24.8493.3688.924
ATOM1481HZPHE197−23.1334.3977.454
ATOM1482HE1PHE197−22.5883.3425.267
ATOM1483HD1PHE197−23.7861.3094.542
ATOM1484NTHR198−28.129−1.884.464
ATOM1485CATHR198−28.527−3.0543.684
ATOM1486CTHR198−28.9−2.5652.304
ATOM1487OTHR198−28.469−3.1521.323
ATOM1488CBTHR198−29.69−3.94.288
ATOM1489OG1THR198−29.436−4.3095.64
ATOM1490CG2THR198−29.866−5.2293.508
ATOM1491HATHR198−27.65−3.7123.584
ATOM1492HTHR198−28.688−1.5845.239
ATOM1493HBTHR198−30.628−3.3184.256
ATOM1494HG1THR198−29.298−3.5816.238
ATOM1495HG23THR198−30.112−5.0322.458
ATOM1496HG21THR198−28.939−5.8243.545
ATOM1497HG22THR198−30.671−5.8323.953
ATOM1498NSER199−29.688−1.4712.206
ATOM1499CASER199−29.974−0.9090.89
ATOM1500CSER199−28.687−0.5190.199
ATOM1501OSER199−28.528−0.835−0.97
ATOM1502CBSER199−30.9260.3070.981
ATOM1503OGSER199−32.165−0.1711.532
ATOM1504HASER199−30.496−1.6690.293
ATOM1505HSER199−30.06−1.0093.018
ATOM1506HB1SER199−30.4831.0841.625
ATOM1507HB2SER199−31.0920.728−0.026
ATOM1508HGSER199−32.8160.5161.627
ATOM1509NTHR200−27.7490.1630.897
ATOM1510CATHR200−26.5050.5640.236
ATOM1511CTHR200−25.854−0.657−0.374
ATOM1512OTHR200−25.469−0.616−1.532
ATOM1513CBTHR200−25.4611.2551.165
ATOM1514OG1THR200−25.9722.4671.75
ATOM1515CG2THR200−24.1821.6630.388
ATOM1516HATHR200−26.7661.279−0.559
ATOM1517HTHR200−27.90.3951.86
ATOM1518HBTHR200−25.150.5521.954
ATOM1519HG1THR200−26.7252.3322.317
ATOM1520HG23THR200−23.660.78−0.008
ATOM1521HG21THR200−24.4382.333−0.448
ATOM1522HG22THR200−23.4932.1961.062
ATOM1523NTYR201−25.704−1.7620.389
ATOM1524CATYR201−25.041−2.932−0.178
ATOM1525CTYR201−25.896−3.567−1.261
ATOM1526OTYR201−25.343−3.964−2.275
ATOM1527CBTYR201−24.672−3.9780.907
ATOM1528CGTYR201−23.68−3.471.968
ATOM1529CD1TYR201−24.039−3.4073.32
ATOM1530CD2TYR201−22.384−3.0941.593
ATOM1531CE1TYR201−23.095−3.0464.287
ATOM1532CE2TYR201−21.439−2.7362.559
ATOM1533CZTYR201−21.776−2.7683.914
ATOM1534OHTYR201−20.793−2.5324.877
ATOM1535HATYR201−24.106−2.595−0.657
ATOM1536HTYR201−26.045−1.7991.333
ATOM1537HB2TYR201−25.591−4.3631.375
ATOM1538HB1TYR201−24.156−4.810.411
ATOM1539HD2TYR201−22.094−3.0890.548
ATOM1540HE2TYR201−20.438−2.4432.26
ATOM1541HE1TYR201−23.382−2.9895.329
ATOM1542HD1TYR201−25.048−3.6483.634
ATOM1543HHTYR201−20.912−3.0685.653
ATOM1544NILE202−27.235−3.683−1.098
ATOM1545CAILE202−28.067−4.24−2.176
ATOM1546CILE202−27.738−3.558−3.483
ATOM1547OILE202−27.602−4.232−4.492
ATOM1548CBILE202−29.596−4.12−1.871
ATOM1549CG1ILE202−30.032−5.248−0.885
ATOM1550CG2ILE202−30.464−4.14−3.166
ATOM1551CD1ILE202−31.335−4.96−0.102
ATOM1552HAILE202−27.815−5.303−2.314
ATOM1553HILE202−27.668−3.375−0.247
ATOM1554HBILE202−29.763−3.139−1.406
ATOM1555HG11ILE202−30.204−6.172−1.458
ATOM1556HG12ILE202−29.238−5.427−0.142
ATOM1557HD11ILE202−32.183−4.872−0.787
ATOM1558HD12ILE202−31.56−5.7810.595
ATOM1559HD13ILE202−31.228−4.0320.476
ATOM1560HG21ILE202−30.265−5.058−3.739
ATOM1561HG22ILE202−31.535−4.095−2.927
ATOM1562HG23ILE202−30.248−3.272−3.809
ATOM1563NLEU203−27.609−2.215−3.492
ATOM1564CALEU203−27.299−1.538−4.75
ATOM1565CLEU203−26.03−2.091−5.359
ATOM1566OLEU203−25.955−2.182−6.574
ATOM1567CBLEU203−27.079−0.017−4.562
ATOM1568CGLEU203−28.330.779−4.098
ATOM1569CD1LEU203−27.8752.216−3.727
ATOM1570CD2LEU203−29.4480.801−5.177
ATOM1571HALEU203−28.121−1.716−5.459
ATOM1572HLEU203−27.711−1.688−2.644
ATOM1573HB1LEU203−26.2980.095−3.8
ATOM1574HB2LEU203−26.7090.42−5.504
ATOM1575HGLEU203−28.7650.336−3.189
ATOM1576HD21LEU203−29.902−0.191−5.313
ATOM1577HD22LEU203−30.2461.488−4.868
ATOM1578HD23LEU203−29.0591.144−6.143
ATOM1579HD11LEU203−27.3792.703−4.579
ATOM1580HD12LEU203−28.7482.805−3.425
ATOM1581HD13LEU203−27.1682.203−2.884
ATOM1582NTHR204−25.015−2.47−4.551
ATOM1583CATHR204−23.815−3.064−5.137
ATOM1584CTHR204−24.215−4.342−5.832
ATOM1585OTHR204−23.84−4.544−6.976
ATOM1586CBTHR204−22.689−3.344−4.099
ATOM1587OG1THR204−22.224−2.119−3.506
ATOM1588CG2THR204−21.462−4.007−4.773
ATOM1589HATHR204−23.405−2.379−5.894
ATOM1590HTHR204−25.096−2.403−3.556
ATOM1591HBTHR204−23.052−4.025−3.311
ATOM1592HG1THR204−22.905−1.663−3.026
ATOM1593HG23THR204−21.717−5−5.169
ATOM1594HG21THR204−21.11−3.373−5.598
ATOM1595HG22THR204−20.645−4.121−4.043
ATOM1596NALA205−24.983−5.226−5.16
ATOM1597CAALA205−25.378−6.463−5.825
ATOM1598CALA205−26.227−6.162−7.039
ATOM1599OALA205−26.106−6.887−8.013
ATOM1600CBALA205−26.119−7.426−4.872
ATOM1601HAALA205−24.459−6.977−6.155
ATOM1602HALA205−25.309−5.038−4.229
ATOM1603HB1ALA205−26.325−8.381−5.375
ATOM1604HB2ALA205−25.478−7.635−4.004
ATOM1605HB3ALA205−27.064−6.971−4.538
ATOM1606NMET206−27.078−5.109−7.036
ATOM1607CAMET206−27.773−4.756−8.273
ATOM1608CMET206−26.744−4.386−9.311
ATOM1609OMET206−26.754−4.95−10.392
ATOM1610CBMET206−28.768−3.566−8.174
ATOM1611CGMET206−30.008−3.917−7.321
ATOM1612SDMET206−31.181−2.518−7.33
ATOM1613CEMET206−32.456−3.147−8.472
ATOM1614HAMET206−28.327−5.635−8.632
ATOM1615HMET206−27.199−4.535−6.223
ATOM1616HB1MET206−28.273−2.675−7.761
ATOM1617HB2MET206−29.121−3.32−9.189
ATOM1618HG1MET206−30.493−4.796−7.763
ATOM1619HG2MET206−29.722−4.143−6.283
ATOM1620LPD1MET206−31.436−2.402−6.711
ATOM1621LPD2MET206−30.892−1.951−7.566
ATOM1622HE1MET206−32.972−4.004−8.014
ATOM1623HE2MET206−33.19−2.355−8.678
ATOM1624HE3MET206−31.995−3.465−9.418
ATOM1625NALA207−25.842−3.43−9.014
ATOM1626CAALA207−24.89−3.005−10.034
ATOM1627CALA207−24.123−4.198−10.561
ATOM1628OALA207−23.868−4.262−11.754
ATOM1629CBALA207−23.923−1.936−9.471
ATOM1630HAALA207−25.462−2.555−10.865
ATOM1631HALA207−25.818−3.005−8.106
ATOM1632HB1ALA207−23.324−1.532−10.296
ATOM1633HB2ALA207−24.487−1.107−9.017
ATOM1634HB3ALA207−23.257−2.374−8.712
ATOM1635NILE208−23.762−5.168−9.69
ATOM1636CAILE208−23.122−6.386−10.186
ATOM1637CILE208−24.118−7.128−11.055
ATOM1638OILE208−23.765−7.493−12.164
ATOM1639CBILE208−22.563−7.283−9.038
ATOM1640CG1ILE208−21.379−6.556−8.324
ATOM1641CG2ILE208−22.129−8.672−9.589
ATOM1642CD1ILE208−20.905−7.252−7.02
ATOM1643HAILE208−22.263−6.098−10.812
ATOM1644HILE208−23.984−5.091−8.715
ATOM1645HBILE208−23.375−7.455−8.315
ATOM1646HG11ILE208−20.524−6.474−9.015
ATOM1647HG12ILE208−21.682−5.533−8.055
ATOM1648HD11ILE208−20.432−8.223−7.223
ATOM1649HD12ILE208−20.158−6.621−6.512
ATOM1650HD13ILE208−21.755−7.406−6.336
ATOM1651HG21ILE208−21.338−8.556−10.346
ATOM1652HG22ILE208−21.758−9.329−8.79
ATOM1653HG23ILE208−22.983−9.188−10.05
ATOM1654NASP209−25.363−7.368−10.587
ATOM1655CAASP209−26.348−8.071−11.417
ATOM1656CASP209−26.444−7.43−12.783
ATOM1657OASP209−26.468−8.128−13.786
ATOM1658CBASP209−27.757−8.053−10.763
ATOM1659CGASP209−28.81−8.727−11.605
ATOM1660OD1ASP209−29.707−8.017−12.136
ATOM1661OD2ASP209−28.759−9.977−11.734
ATOM1662HAASP209−26.026−9.117−11.528
ATOM1663HASP209−25.629−7.063−9.672
ATOM1664HB1ASP209−27.713−8.547−9.782
ATOM1665HB2ASP209−28.077−7.016−10.602
ATOM1666NARG210−26.503−6.083−12.844
ATOM1667CAARG210−26.683−5.428−14.135
ATOM1668CARG210−25.407−5.554−14.933
ATOM1669OARG210−25.481−5.843−16.116
ATOM1670CBARG210−27.106−3.939−14
ATOM1671CGARG210−28.309−3.683−13.042
ATOM1672CDARG210−29.417−4.772−13.104
ATOM1673NEARG210−29.992−4.924−14.444
ATOM1674CZARG210−30.731−5.949−14.812
ATOM1675NH1ARG210−31.034−6.954−14.024
ATOM1676NH2ARG210−31.2−5.97−16.036
ATOM1677HAARG210−27.476−5.954−14.693
ATOM1678HARG210−26.414−5.526−12.016
ATOM1679HB1ARG210−26.252−3.364−13.617
ATOM1680HB2ARG210−27.335−3.567−15.013
ATOM1681HG1ARG210−27.958−3.615−12.002
ATOM1682HG2ARG210−28.733−2.697−13.274
ATOM1683HD1ARG210−28.947−5.695−12.742
ATOM1684HD2ARG210−30.224−4.505−12.401
ATOM1685HEARG210−29.791−4.179−15.131
ATOM1686HH12ARG210−31.617−7.738−14.352
ATOM1687HH11ARG210−30.694−7.012−13.053
ATOM1688HH22ARG210−31.783−6.753−16.36
ATOM1689HH21ARG210−31.017−5.198−16.699
ATOM1690NTYR211−24.222−5.36−14.313
ATOM1691CATYR211−22.979−5.6−15.045
ATOM1692CTYR211−23.001−7−15.617
ATOM1693OTYR211−22.715−7.162−16.794
ATOM1694CBTYR211−21.731−5.451−14.134
ATOM1695CGTYR211−20.494−6.023−14.841
ATOM1696CD1TYR211−19.759−5.228−15.724
ATOM1697CD2TYR211−20.097−7.347−14.616
ATOM1698CE1TYR211−18.658−5.76−16.401
ATOM1699CE2TYR211−18.996−7.879−15.293
ATOM1700CZTYR211−18.28−7.092−16.198
ATOM1701OHTYR211−17.197−7.645−16.884
ATOM1702HATYR211−22.898−4.882−15.877
ATOM1703HTYR211−24.179−5.103−13.344
ATOM1704HB2TYR211−21.58−4.392−13.869
ATOM1705HB1TYR211−21.884−6.007−13.199
ATOM1706HD2TYR211−20.643−7.972−13.918
ATOM1707HE2TYR211−18.695−8.907−15.119
ATOM1708HE1TYR211−18.102−5.139−17.093
ATOM1709HD1TYR211−20.05−4.197−15.89
ATOM1710HHTYR211−17.085−7.276−17.754
ATOM1711NLEU212−23.338−8.015−14.79
ATOM1712CALEU212−23.344−9.392−15.276
ATOM1713CLEU212−24.317−9.526−16.425
ATOM1714OLEU212−23.98−10.127−17.433
ATOM1715CBLEU212−23.719−10.425−14.178
ATOM1716CGLEU212−22.646−10.604−13.059
ATOM1717CD1LEU212−23.244−11.455−11.904
ATOM1718CD2LEU212−21.347−11.291−13.574
ATOM1719HALEU212−22.34−9.628−15.639
ATOM1720HLEU212−23.601−7.836−13.841
ATOM1721HB1LEU212−24.668−10.093−13.731
ATOM1722HB2LEU212−23.897−11.407−14.646
ATOM1723HGLEU212−22.371−9.619−12.649
ATOM1724HD21LEU212−20.803−10.675−14.303
ATOM1725HD22LEU212−20.66−11.481−12.735
ATOM1726HD23LEU212−21.596−12.254−14.044
ATOM1727HD11LEU212−23.536−12.449−12.274
ATOM1728HD12LEU212−22.512−11.586−11.091
ATOM1729HD13LEU212−24.133−10.961−11.484
ATOM1730NALA213−25.545−8.981−16.299
ATOM1731CAALA213−26.503−9.111−17.395
ATOM1732CALA213−26.132−8.263−18.598
ATOM1733OALA213−26.551−8.607−19.692
ATOM1734CBALA213−27.924−8.715−16.914
ATOM1735HAALA213−26.542−10.17−17.709
ATOM1736HALA213−25.807−8.479−15.469
ATOM1737HB1ALA213−28.656−8.931−17.706
ATOM1738HB2ALA213−28.2−9.293−16.017
ATOM1739HB3ALA213−27.962−7.642−16.672
ATOM1740NTHR214−25.38−7.148−18.434
ATOM1741CATHR214−25.14−6.226−19.549
ATOM1742CTHR214−23.813−6.401−20.258
ATOM1743OTHR214−23.813−6.527−21.474
ATOM1744CBTHR214−25.217−4.757−19.036
ATOM1745OG1THR214−26.563−4.506−18.587
ATOM1746CG2THR214−24.821−3.728−20.132
ATOM1747HATHR214−25.945−6.317−20.298
ATOM1748HTHR214−25.017−6.908−17.531
ATOM1749HBTHR214−24.52−4.632−18.188
ATOM1750HG1THR214−26.656−3.649−18.184
ATOM1751HG23THR214−23.755−3.812−20.387
ATOM1752HG21THR214−25.407−3.894−21.047
ATOM1753HG22THR214−24.999−2.703−19.778
ATOM1754NVAL215−22.662−6.346−19.55
ATOM1755CAVAL215−21.389−6.1−20.24
ATOM1756CVAL215−20.769−7.401−20.698
ATOM1757OVAL215−19.726−7.775−20.192
ATOM1758CBVAL215−20.439−5.23−19.36
ATOM1759CG1VAL215−19.123−4.843−20.099
ATOM1760CG2VAL215−21.133−3.916−18.902
ATOM1761HAVAL215−21.559−5.502−21.148
ATOM1762HVAL215−22.668−6.427−18.55
ATOM1763HBVAL215−20.197−5.829−18.47
ATOM1764HG11VAL215−19.353−4.301−21.03
ATOM1765HG12VAL215−18.506−4.19−19.465
ATOM1766HG13VAL215−18.512−5.72−20.348
ATOM1767HG21VAL215−22.048−4.114−18.327
ATOM1768HG22VAL215−20.46−3.33−18.258
ATOM1769HG23VAL215−21.388−3.3−19.778
ATOM1770NHIS216−21.407−8.094−21.672
ATOM1771CAHIS216−20.821−9.293−22.285
ATOM1772CHIS216−19.813−10.037−21.432
ATOM1773OHIS216−18.687−10.186−21.882
ATOM1774CBHIS216−20.193−8.796−23.616
ATOM1775CGHIS216−19.238−7.658−23.354
ATOM1776ND1HIS216−18.065−7.81−22.783
ATOM1777CD2HIS216−19.44−6.358−23.65
ATOM1778CE1HIS216−17.471−6.663−22.691
ATOM1779NE2HIS216−18.214−5.775−23.175
ATOM1780HAHIS216−21.612−10.025−22.519
ATOM1781HHIS216−22.28−7.76−22.035
ATOM1782HB1HIS216−19.674−9.61−24.147
ATOM1783HB2HIS216−20.998−8.433−24.269
ATOM1784HD2HIS216−20.292−5.87−24.117
ATOM1785HE1HIS216−16.486−6.48−22.261
ATOM1786HD1HIS216−17.68−8.71−22.453
ATOM1787NPRO217−20.133−10.505−20.2
ATOM1788CAPRO217−19.102−11.056−19.333
ATOM1789CPRO217−19.245−12.55−19.148
ATOM1790OPRO217−20.095−13.163−19.774
ATOM1791CBPRO217−19.546−10.291−18.066
ATOM1792CGPRO217−21.095−10.282−18.14
ATOM1793CDPRO217−21.473−10.421−19.637
ATOM1794HAPRO217−18.067−10.8−19.614
ATOM1795HD2PRO217−22.098−9.577−19.956
ATOM1796HD1PRO217−22.019−11.356−19.841
ATOM1797HG2PRO217−21.473−9.329−17.737
ATOM1798HG1PRO217−21.513−11.123−17.562
ATOM1799HB1PRO217−19.166−10.718−17.125
ATOM1800HB2PRO217−19.175−9.255−18.144
ATOM1801NILE218−18.405−13.15−18.275
ATOM1802CAILE218−18.507−14.582−17.995
ATOM1803CILE218−18.226−15.406−19.239
ATOM1804OILE218−17.109−15.886−19.343
ATOM1805CBILE218−19.824−14.948−17.242
ATOM1806CG1ILE218−20.069−14.042−15.994
ATOM1807CG2ILE218−19.859−16.462−16.886
ATOM1808CD1ILE218−18.959−14.082−14.908
ATOM1809HAILE218−17.696−14.856−17.298
ATOM1810HILE218−17.7−12.619−17.798
ATOM1811HBILE218−20.685−14.764−17.905
ATOM1812HG11ILE218−20.184−12.997−16.324
ATOM1813HG12ILE218−21.02−14.345−15.525
ATOM1814HD11ILE218−18.011−13.673−15.285
ATOM1815HD12ILE218−19.263−13.467−14.046
ATOM1816HD13ILE218−18.79−15.106−14.546
ATOM1817HG21ILE218−18.994−16.754−16.274
ATOM1818HG22ILE218−20.779−16.704−16.331
ATOM1819HG23ILE218−19.845−17.069−17.802
ATOM1820NSER219−19.184−15.588−20.179
ATOM1821CASER219−18.971−16.444−21.353
ATOM1822CSER219−20.308−16.929−21.875
ATOM1823OSER219−20.628−16.703−23.031
ATOM1824CBSER219−18.181−17.762−21.1
ATOM1825OGSER219−18.749−18.424−19.953
ATOM1826HASER219−18.463−15.857−22.136
ATOM1827HSER219−20.049−15.084−20.119
ATOM1828HB1SER219−18.263−18.418−21.985
ATOM1829HB2SER219−17.107−17.568−20.953
ATOM1830HGSER219−18.312−19.244−19.744
ATOM1831NSER220−21.084−17.639−21.026
ATOM1832CASER220−22.261−18.353−21.523
ATOM1833CSER220−23.242−18.698−20.421
ATOM1834OSER220−24.404−18.337−20.542
ATOM1835CBSER220−21.767−19.676−22.16
ATOM1836OGSER220−21.087−20.447−21.152
ATOM1837HASER220−22.785−17.749−22.283
ATOM1838HSER220−20.784−17.781−20.082
ATOM1839HB1SER220−22.628−20.24−22.559
ATOM1840HB2SER220−21.078−19.447−22.991
ATOM1841HGSER220−20.746−21.273−21.484
ATOM1842NTHR221−22.795−19.411−19.359
ATOM1843CATHR221−23.698−19.776−18.265
ATOM1844CTHR221−24.408−18.586−17.658
ATOM1845OTHR221−24.04−17.456−17.936
ATOM1846CBTHR221−22.999−20.571−17.126
ATOM1847OG1THR221−24.02−21.053−16.232
ATOM1848CG2THR221−21.978−19.695−16.35
ATOM1849HATHR221−24.471−20.433−18.697
ATOM1850HTHR221−21.853−19.753−19.343
ATOM1851HBTHR221−22.476−21.435−17.576
ATOM1852HG1THR221−23.673−21.573−15.514
ATOM1853HG23THR221−21.218−19.279−17.028
ATOM1854HG21THR221−22.489−18.865−15.84
ATOM1855HG22THR221−21.464−20.302−15.589
ATOM1856NLYS222−25.45−18.836−16.829
ATOM1857CALYS222−26.31−17.757−16.339
ATOM1858CLYS222−26.718−18.03−14.908
ATOM1859OLYS222−26.381−19.083−14.392
ATOM1860CBLYS222−27.547−17.66−17.278
ATOM1861CGLYS222−27.099−17.328−18.726
ATOM1862CDLYS222−28.265−17.204−19.738
ATOM1863CELYS222−27.759−16.688−21.118
ATOM1864NZLYS222−26.61−17.458−21.66
ATOM1865HALYS222−25.773−16.794−16.324
ATOM1866HLYS222−25.694−19.776−16.575
ATOM1867HB1LYS222−28.087−18.62−17.265
ATOM1868HB2LYS222−28.236−16.877−16.93
ATOM1869HG1LYS222−26.516−16.392−18.72
ATOM1870HG2LYS222−26.463−18.151−19.075
ATOM1871HD1LYS222−28.745−18.19−19.859
ATOM1872HD2LYS222−29.024−16.507−19.348
ATOM1873HE1LYS222−28.605−16.726−21.826
ATOM1874HE2LYS222−27.46−15.63−21.017
ATOM1875HZ1LYS222−26.782−18.526−21.643
ATOM1876HZ2LYS222−26.397−17.192−22.686
ATOM1877HZ3LYS222−25.679−17.28−21.136
ATOM1878NPHE223−27.429−17.096−14.237
ATOM1879CAPHE223−27.738−17.306−12.825
ATOM1880CPHE223−28.447−18.622−12.586
ATOM1881OPHE223−29.419−18.892−13.274
ATOM1882CBPHE223−28.687−16.226−12.238
ATOM1883CGPHE223−28.093−14.818−12.348
ATOM1884CD1PHE223−27.059−14.434−11.488
ATOM1885CD2PHE223−28.577−13.905−13.292
ATOM1886CE1PHE223−26.528−13.143−11.556
ATOM1887CE2PHE223−28.031−12.622−13.382
ATOM1888CZPHE223−27.001−12.245−12.516
ATOM1889HAPHE223−26.784−17.264−12.274
ATOM1890HPHE223−27.69−16.231−14.665
ATOM1891HB1PHE223−29.656−16.267−12.761
ATOM1892HB2PHE223−28.87−16.429−11.17
ATOM1893HD2PHE223−29.38−14.189−13.96
ATOM1894HE2PHE223−28.405−11.919−14.12
ATOM1895HZPHE223−26.575−11.253−12.592
ATOM1896HE1PHE223−25.752−12.842−10.86
ATOM1897HD1PHE223−26.668−15.138−10.764
ATOM1898NARG224−28.024−19.429−11.586
ATOM1899CAARG224−28.896−20.503−11.113
ATOM1900CARG224−30.006−19.726−10.434
ATOM1901OARG224−29.897−19.41−9.259
ATOM1902CBARG224−28.147−21.487−10.176
ATOM1903CGARG224−27.112−22.329−10.976
ATOM1904CDARG224−26.359−23.349−10.078
ATOM1905NEARG224−25.404−24.149−10.855
ATOM1906CZARG224−24.666−25.11−10.343
ATOM1907NH1ARG224−24.71−25.438−9.074
ATOM1908NH2ARG224−23.849−25.772−11.13
ATOM1909HAARG224−29.288−21.091−11.96
ATOM1910HARG224−27.201−19.214−11.058
ATOM1911HB1ARG224−27.63−20.915−9.393
ATOM1912HB2ARG224−28.882−22.155−9.699
ATOM1913HG1ARG224−27.632−22.887−11.773
ATOM1914HG2ARG224−26.38−21.655−11.451
ATOM1915HD1ARG224−25.828−22.787−9.291
ATOM1916HD2ARG224−27.114−24.009−9.617
ATOM1917HEARG224−25.321−23.937−11.863
ATOM1918HH12ARG224−24.121−26.197−8.701
ATOM1919HH11ARG224−25.327−24.953−8.411
ATOM1920HH22ARG224−23.255−26.531−10.766
ATOM1921HH21ARG224−23.778−25.552−12.135
ATOM1922NLYS225−31.051−19.359−11.213
ATOM1923CALYS225−31.883−18.209−10.866
ATOM1924CLYS225−32.312−18.032−9.415
ATOM1925OLYS225−32.187−16.901−8.968
ATOM1926CBLYS225−32.967−17.93−11.957
ATOM1927CGLYS225−34.11−18.977−12.035
ATOM1928CDLYS225−34.922−18.875−13.359
ATOM1929CELYS225−36.27−19.653−13.301
ATOM1930NZLYS225−36.106−21.103−13.033
ATOM1931HALYS225−31.179−17.372−11.013
ATOM1932HB1LYS225−33.404−16.938−11.785
ATOM1933HB2LYS225−32.47−17.893−12.942
ATOM1934HG1LYS225−33.673−19.986−11.988
ATOM1935HG2LYS225−34.782−18.819−11.176
ATOM1936HD1LYS225−35.138−17.819−13.587
ATOM1937HD2LYS225−34.31−19.264−14.191
ATOM1938HE1LYS225−36.915−19.211−12.522
ATOM1939HE2LYS225−36.785−19.516−14.268
ATOM1940HZ1LYS225−35.738−21.308−12.037
ATOM1941HZ2LYS225−37.049−21.629−13.106
ATOM1942HZ3LYS225−35.432−21.571−13.737
ATOM1943HLYS225−31.125−19.711−12.148
ATOM1944NPRO226−32.802−19−8.594
ATOM1945CAPRO226−33.15−18.655−7.217
ATOM1946CPRO226−31.987−18.735−6.248
ATOM1947OPRO226−32.089−18.139−5.186
ATOM1948CBPRO226−34.121−19.824−6.922
ATOM1949CGPRO226−33.493−21.016−7.681
ATOM1950CDPRO226−33.044−20.375−9.017
ATOM1951HAPRO226−33.668−17.685−7.123
ATOM1952HD2PRO226−33.896−20.425−9.704
ATOM1953HD1PRO226−32.175−20.892−9.449
ATOM1954HG2PRO226−34.2−21.851−7.817
ATOM1955HG1PRO226−32.624−21.392−7.118
ATOM1956HB1PRO226−34.255−20.018−5.845
ATOM1957HB2PRO226−35.106−19.599−7.366
ATOM1958NSER227−30.889−19.473−6.537
ATOM1959CASER227−29.894−19.714−5.493
ATOM1960CSER227−28.952−18.544−5.394
ATOM1961OSER227−28.763−18.048−4.295
ATOM1962CBSER227−29.072−21.005−5.727
ATOM1963CGSER227−28.275−20.873−6.915
ATOM1964HASER227−30.408−19.846−4.524
ATOM1965HSER227−30.729−19.867−7.445
ATOM1966HB1SER227−28.415−21.174−4.856
ATOM1967HB2SER227−29.763−21.86−5.823
ATOM1968HGSER227−27.727−21.638−7.062
ATOM1969NVAL228−28.352−18.076−6.512
ATOM1970CAVAL228−27.463−16.919−6.408
ATOM1971CVAL228−28.234−15.823−5.71
ATOM1972OVAL228−27.73−15.273−4.743
ATOM1973CBVAL228−26.907−16.411−7.773
ATOM1974CG1VAL228−26.159−15.057−7.587
ATOM1975CG2VAL228−25.947−17.458−8.406
ATOM1976HAVAL228−26.608−17.199−5.771
ATOM1977HVAL228−28.531−18.501−7.402
ATOM1978HBVAL228−27.751−16.247−8.464
ATOM1979HG11VAL228−25.374−15.158−6.821
ATOM1980HG12VAL228−25.682−14.737−8.525
ATOM1981HG13VAL228−26.851−14.259−7.276
ATOM1982HG21VAL228−26.45−18.424−8.56
ATOM1983HG22VAL228−25.585−17.107−9.385
ATOM1984HG23VAL228−25.076−17.622−7.753
ATOM1985NALA229−29.465−15.52−6.18
ATOM1986CAALA229−30.284−14.507−5.515
ATOM1987CALA229−30.296−14.706−4.013
ATOM1988OALA229−30.153−13.75−3.267
ATOM1989CBALA229−31.749−14.581−6.018
ATOM1990HAALA229−29.889−13.509−5.76
ATOM1991HALA229−29.834−15.989−6.985
ATOM1992HB1ALA229−32.324−13.766−5.56
ATOM1993HB2ALA229−31.8−14.477−7.112
ATOM1994HB3ALA229−32.21−15.541−5.742
ATOM1995NTHR230−30.471−15.962−3.548
ATOM1996CATHR230−30.499−16.209−2.107
ATOM1997CTHR230−29.125−15.967−1.52
ATOM1998OTHR230−29.023−15.334−0.479
ATOM1999CBTHR230−30.966−17.656−1.773
ATOM2000OG1THR230−32.306−17.894−2.249
ATOM2001CG2THR230−30.976−17.904−0.242
ATOM2002HATHR230−31.222−15.516−1.647
ATOM2003HTHR230−30.549−16.736−4.179
ATOM2004HBTHR230−30.278−18.388−2.23
ATOM2005HG1THR230−32.397−17.847−3.197
ATOM2006HG23THR230−29.963−17.8330.182
ATOM2007HG21THR230−31.625−17.170.259
ATOM2008HG22THR230−31.366−18.913−0.034
ATOM2009NLEU231−28.046−16.467−2.163
ATOM2010CALEU231−26.712−16.287−1.595
ATOM2011CLEU231−26.438−14.81−1.42
ATOM2012OLEU231−25.967−14.411−0.366
ATOM2013CBLEU231−25.569−16.872−2.476
ATOM2014CGLEU231−25.617−18.413−2.716
ATOM2015CD1LEU231−24.434−18.834−3.634
ATOM2016CD2LEU231−25.569−19.222−1.389
ATOM2017HALEU231−26.687−16.745−0.594
ATOM2018HLEU231−28.149−16.947−3.036
ATOM2019HB1LEU231−25.593−16.363−3.453
ATOM2020HB2LEU231−24.607−16.628−1.997
ATOM2021HGLEU231−26.544−18.686−3.244
ATOM2022HD21LEU231−26.486−19.074−0.799
ATOM2023HD22LEU231−25.485−20.299−1.6
ATOM2024HD23LEU231−24.702−18.917−0.784
ATOM2025HD11LEU231−23.472−18.62−3.143
ATOM2026HD12LEU231−24.479−19.911−3.857
ATOM2027HD13LEU231−24.468−18.287−4.589
ATOM2028NVAL232−26.721−13.975−2.445
ATOM2029CAVAL232−26.462−12.547−2.283
ATOM2030CVAL232−27.332−12.007−1.165
ATOM2031OVAL232−26.804−11.27−0.35
ATOM2032CBVAL232−26.468−11.687−3.587
ATOM2033CG1VAL232−25.206−11.976−4.451
ATOM2034CG2VAL232−27.729−11.873−4.471
ATOM2035HAVAL232−25.43−12.466−1.904
ATOM2036HVAL232−27.126−14.323−3.292
ATOM2037HBVAL232−26.421−10.628−3.279
ATOM2038HG11VAL232−25.216−11.364−5.368
ATOM2039HG12VAL232−25.179−13.039−4.739
ATOM2040HG13VAL232−24.283−11.74−3.898
ATOM2041HG21VAL232−28.647−11.772−3.875
ATOM2042HG22VAL232−27.741−11.125−5.279
ATOM2043HG23VAL232−27.726−12.85−4.963
ATOM2044NILE233−28.635−12.355−1.037
ATOM2045CAILE233−29.384−11.8920.142
ATOM2046CILE233−28.6−12.2321.394
ATOM2047OILE233−28.435−11.3722.249
ATOM2048CBILE233−30.852−12.4340.22
ATOM2049CG1ILE233−31.769−11.616−0.746
ATOM2050CG2ILE233−31.424−12.3951.67
ATOM2051CD1ILE233−33.274−11.994−0.68
ATOM2052HAILE233−29.431−10.7930.117
ATOM2053HILE233−29.079−12.96−1.703
ATOM2054HBILE233−30.846−13.493−0.083
ATOM2055HG11ILE233−31.697−10.542−0.505
ATOM2056HG12ILE233−31.412−11.75−1.781
ATOM2057HD11ILE233−33.713−11.8280.313
ATOM2058HD12ILE233−33.843−11.352−1.367
ATOM2059HD13ILE233−33.415−13.049−0.96
ATOM2060HG21ILE233−31.615−11.3511.952
ATOM2061HG22ILE233−32.363−12.9621.744
ATOM2062HG23ILE233−30.753−12.8532.41
ATOM2063NCYS234−28.117−13.4851.536
ATOM2064CACYS234−27.415−13.8482.767
ATOM2065CCYS234−26.203−12.9622.967
ATOM2066OCYS234−26.037−12.4034.041
ATOM2067CBCYS234−26.98−15.3382.769
ATOM2068SGCYS234−28.457−16.3952.59
ATOM2069HACYS234−28.105−13.6983.615
ATOM2070HCYS234−28.247−14.170.813
ATOM2071HB1CYS234−26.288−15.5431.938
ATOM2072HB2CYS234−26.474−15.5823.717
ATOM2073HGCYS234−27.996−17.2922.564
ATOM2074LPG1CYS234−28.878−16.3393.12
ATOM2075LPG2CYS234−28.797−16.2662.017
ATOM2076NLEU235−25.34−12.8161.937
ATOM2077CALEU235−24.174−11.942.08
ATOM2078CLEU235−24.612−10.5492.478
ATOM2079OLEU235−24.003−9.9333.338
ATOM2080CBLEU235−23.401−11.8230.734
ATOM2081CGLEU235−22.263−10.7560.711
ATOM2082CD1LEU235−21.158−11.0551.761
ATOM2083CD2LEU235−21.637−10.683−0.71
ATOM2084HALEU235−23.52−12.3622.859
ATOM2085HLEU235−25.502−13.2881.064
ATOM2086HB1LEU235−22.992−12.8120.472
ATOM2087HB2LEU235−24.127−11.541−0.044
ATOM2088HGLEU235−22.689−9.7590.922
ATOM2089HD21LEU235−22.404−10.435−1.461
ATOM2090HD22LEU235−20.858−9.905−0.75
ATOM2091HD23LEU235−21.182−11.648−0.98
ATOM2092HD11LEU235−20.742−12.0611.601
ATOM2093HD12LEU235−20.341−10.3221.674
ATOM2094HD13LEU235−21.55−10.9942.786
ATOM2095NLEU236−25.67−10.0211.834
ATOM2096CALEU236−26.039−8.6262.062
ATOM2097CLEU236−26.486−8.433.492
ATOM2098OLEU236−26.058−7.4764.125
ATOM2099CBLEU236−27.125−8.2111.034
ATOM2100CGLEU236−26.557−8.211−0.424
ATOM2101CD1LEU236−27.703−8.349−1.455
ATOM2102CD2LEU236−25.727−6.932−0.703
ATOM2103HALEU236−25.147−7.9971.923
ATOM2104HLEU236−26.2−10.581.191
ATOM2105HB1LEU236−27.961−8.9211.122
ATOM2106HB2LEU236−27.522−7.2161.29
ATOM2107HGLEU236−25.873−9.056−0.599
ATOM2108HD21LEU236−24.788−6.967−0.138
ATOM2109HD22LEU236−25.465−6.831−1.764
ATOM2110HD23LEU236−26.303−6.048−0.404
ATOM2111HD11LEU236−28.413−7.533−1.316
ATOM2112HD12LEU236−27.307−8.302−2.475
ATOM2113HD13LEU236−28.241−9.3−1.346
ATOM2114NTRP237−27.33−9.3324.039
ATOM2115CATRP237−27.636−9.2375.466
ATOM2116CTRP237−26.358−9.3496.266
ATOM2117OTRP237−26.216−8.6117.227
ATOM2118CBTRP237−28.639−10.3175.958
ATOM2119CGTRP237−30.042−9.7855.849
ATOM2120CD1TRP237−30.958−10.0324.901
ATOM2121CD2TRP237−30.675−8.8376.835
ATOM2122NE1TRP237−32.057−9.3725.173
ATOM2123CE2TRP237−31.945−8.6696.317
ATOM2124CE3TRP237−30.251−8.2068.003
ATOM2125CZ2TRP237−32.894−7.8796.965
ATOM2126CZ3TRP237−31.193−7.4078.661
ATOM2127CH2TRP237−32.488−7.2368.143
ATOM2128HATRP237−28.055−8.2365.668
ATOM2129HTRP237−27.694−10.0953.496
ATOM2130HB1TRP237−28.515−11.2585.401
ATOM2131HB2TRP237−28.48−10.547.026
ATOM2132HE1TRP237−32.905−9.3834.581
ATOM2133HD1TRP237−30.779−10.6814.049
ATOM2134HZ2TRP237−33.9−7.7726.574
ATOM2135HH2TRP237−33.182−6.5898.667
ATOM2136HZ3TRP237−30.918−6.9129.586
ATOM2137HE3TRP237−29.241−8.3318.379
ATOM2138NALA238−25.412−10.2475.914
ATOM2139CAALA238−24.179−10.3196.697
ATOM2140CALA238−23.466−8.9836.681
ATOM2141OALA238−23.053−8.5167.731
ATOM2142CBALA238−23.211−11.426.191
ATOM2143HAALA238−24.45−10.5697.736
ATOM2144HALA238−25.538−10.8625.129
ATOM2145HB1ALA238−22.333−11.4826.852
ATOM2146HB2ALA238−23.72−12.3976.186
ATOM2147HB3ALA238−22.861−11.2015.173
ATOM2148NLEU239−23.305−8.3415.502
ATOM2149CALEU239−22.592−7.0625.461
ATOM2150CLEU239−23.313−6.0366.309
ATOM2151OLEU239−22.67−5.2977.04
ATOM2152CBLEU239−22.443−6.5054.017
ATOM2153CGLEU239−21.569−7.3743.06
ATOM2154CD1LEU239−21.653−6.8051.616
ATOM2155CD2LEU239−20.081−7.4423.506
ATOM2156HALEU239−21.595−7.1955.904
ATOM2157HLEU239−23.688−8.7274.659
ATOM2158HB1LEU239−23.455−6.3913.594
ATOM2159HB2LEU239−21.984−5.5084.072
ATOM2160HGLEU239−21.962−8.4023.032
ATOM2161HD21LEU239−19.966−7.9924.451
ATOM2162HD22LEU239−19.479−7.9682.748
ATOM2163HD23LEU239−19.67−6.4293.632
ATOM2164HD11LEU239−21.258−5.7781.583
ATOM2165HD12LEU239−21.073−7.4270.916
ATOM2166HD13LEU239−22.697−6.7911.271
ATOM2167NSER240−24.659−5.9636.235
ATOM2168CASER240−25.368−4.9997.076
ATOM2169CSER240−25.21−5.3558.535
ATOM2170OSER240−24.871−4.59.337
ATOM2171CBSER240−26.868−4.9326.707
ATOM2172OGSER240−27.527−3.8887.443
ATOM2173HASER240−24.954−3.9926.909
ATOM2174HSER240−25.18−6.5765.631
ATOM2175HB1SER240−26.925−4.6855.638
ATOM2176HB2SER240−27.371−5.9026.861
ATOM2177HGSER240−27.591−4.0928.372
ATOM2178NPHE241−25.445−6.638.905
ATOM2179CAPHE241−25.27−7.0310.299
ATOM2180CPHE241−23.888−6.64210.775
ATOM2181OPHE241−23.763−6.12311.873
ATOM2182CBPHE241−25.467−8.56110.44
ATOM2183CGPHE241−25.273−9.01411.891
ATOM2184CD1PHE241−26.302−8.83912.823
ATOM2185CD2PHE241−24.075−9.61712.293
ATOM2186CE1PHE241−26.161−9.32114.128
ATOM2187CE2PHE241−23.945−10.12613.588
ATOM2188CZPHE241−24.988−9.97914.506
ATOM2189HAPHE241−26.024−6.50910.913
ATOM2190HPHE241−25.723−7.3138.227
ATOM2191HB1PHE241−26.482−8.83610.113
ATOM2192HB2PHE241−24.755−9.0849.784
ATOM2193HD2PHE241−23.242−9.69611.601
ATOM2194HE2PHE241−23.031−10.63413.88
ATOM2195HZPHE241−24.886−10.37415.512
ATOM2196HE1PHE241−26.963−9.18414.847
ATOM2197HD1PHE241−27.216−8.3312.535
ATOM2198NILE242−22.838−6.8719.954
ATOM2199CAILE242−21.49−6.45310.347
ATOM2200CILE242−21.455−4.94810.501
ATOM2201OILE242−20.829−4.46711.431
ATOM2202CBILE242−20.417−6.9369.32
ATOM2203CG1ILE242−20.27−8.4889.403
ATOM2204CG2ILE242−19.05−6.2259.553
ATOM2205CD1ILE242−19.607−9.1188.147
ATOM2206HAILE242−21.252−6.89511.328
ATOM2207HILE242−22.982−7.2889.053
ATOM2208HBILE242−20.763−6.6548.313
ATOM2209HG11ILE242−19.686−8.75410.299
ATOM2210HG12ILE242−21.26−8.9589.512
ATOM2211HD11ILE242−18.574−8.7688.01
ATOM2212HD12ILE242−19.582−10.2158.251
ATOM2213HD13ILE242−20.186−8.8747.244
ATOM2214HG21ILE242−18.7−6.40310.582
ATOM2215HG22ILE242−18.283−6.598.856
ATOM2216HG23ILE242−19.132−5.1389.397
ATOM2217NSER243−22.103−4.1679.612
ATOM2218CASER243−22.092−2.7159.795
ATOM2219CSER243−22.776−2.30411.086
ATOM2220OSER243−22.282−1.39811.738
ATOM2221CBSER243−22.764−1.998.595
ATOM2222OGSER243−22.837−0.5668.783
ATOM2223HASER243−21.042−2.3789.838
ATOM2224HSER243−22.596−4.5678.835
ATOM2225HB1SER243−22.216−2.2187.667
ATOM2226HB2SER243−23.796−2.3458.473
ATOM2227HGSER243−21.983−0.1638.899
ATOM2228NILE244−23.914−2.9311.473
ATOM2229CAILE244−24.678−2.45312.637
ATOM2230CILE244−24.275−3.11213.94
ATOM2231OILE244−24.13−2.40714.928
ATOM2232CBILE244−26.218−2.6212.409
ATOM2233CG1ILE244−26.782−1.46811.526
ATOM2234CG2ILE244−27.024−2.64213.743
ATOM2235CD1ILE244−26.093−1.33510.146
ATOM2236HAILE244−24.496−1.37612.787
ATOM2237HILE244−24.258−3.7110.944
ATOM2238HBILE244−26.412−3.58411.91
ATOM2239HG11ILE244−27.857−1.63211.36
ATOM2240HG12ILE244−26.663−0.5212.07
ATOM2241HD11ILE244−26.115−2.2929.609
ATOM2242HD12ILE244−26.623−0.5899.541
ATOM2243HD13ILE244−25.054−0.99410.254
ATOM2244HG21ILE244−26.82−1.73414.332
ATOM2245HG22ILE244−28.104−2.68813.538
ATOM2246HG23ILE244−26.773−3.52314.354
ATOM2247NTHR245−24.117−4.45214.012
ATOM2248CATHR245−23.98−5.07515.33
ATOM2249CTHR245−22.861−4.52716.196
ATOM2250OTHR245−23.101−4.44117.392
ATOM2251CBTHR245−23.988−6.63415.347
ATOM2252OG1THR245−24.333−7.04616.685
ATOM2253CG2THR245−22.638−7.2814.935
ATOM2254HATHR245−24.916−4.80415.849
ATOM2255HTHR245−24.185−5.03113.197
ATOM2256HBTHR245−24.782−6.97914.662
ATOM2257HG1THR245−24.433−7.98716.782
ATOM2258HG23THR245−22.652−8.35715.152
ATOM2259HG21THR245−22.458−7.16213.857
ATOM2260HG22THR245−21.8−6.84415.497
ATOM2261NPRO246−21.648−4.13915.719
ATOM2262CAPRO246−20.603−3.71516.645
ATOM2263CPRO246−21.047−2.74817.712
ATOM2264OPRO246−20.523−2.78718.813
ATOM2265CBPRO246−19.64−3.03115.644
ATOM2266CGPRO246−19.793−3.89914.375
ATOM2267CDPRO246−21.324−4.09714.298
ATOM2268HAPRO246−20.134−4.60617.092
ATOM2269HD2PRO246−21.593−4.99713.733
ATOM2270HD1PRO246−21.757−3.20413.822
ATOM2271HG2PRO246−19.299−4.87214.535
ATOM2272HG1PRO246−19.368−3.42513.474
ATOM2273HB1PRO246−19.991−2.00915.419
ATOM2274HB2PRO246−18.603−2.97316.004
ATOM2275NVAL247−22.017−1.86117.411
ATOM2276CAVAL247−22.409−0.8818.413
ATOM2277CVAL247−23.195−1.59219.484
ATOM2278OVAL247−22.865−1.45820.651
ATOM2279CBVAL247−23.2920.27817.878
ATOM2280CG1VAL247−23.3851.39818.953
ATOM2281CG2VAL247−22.7740.87516.544
ATOM2282HAVAL247−21.496−0.44418.849
ATOM2283HVAL247−22.496−1.90616.534
ATOM2284HBVAL247−24.301−0.11817.686
ATOM2285HG11VAL247−22.3941.81619.164
ATOM2286HG12VAL247−24.0072.2218.587
ATOM2287HG13VAL247−23.8131.02219.895
ATOM2288HG21VAL247−22.7770.16715.704
ATOM2289HG22VAL247−23.4531.68716.271
ATOM2290HG23VAL247−21.7581.27416.663
ATOM2291NTRP248−24.245−2.35519.108
ATOM2292CATRP248−25.029−3.04920.125
ATOM2293CTRP248−24.138−4.01420.87
ATOM2294OTRP248−24.355−4.21622.054
ATOM2295CBTRP248−26.232−3.79619.495
ATOM2296CGTRP248−27.048−4.50320.547
ATOM2297CD1TRP248−27.198−5.82820.693
ATOM2298CD2TRP248−27.855−3.84421.636
ATOM2299NE1TRP248−27.987−6.06721.71
ATOM2300CE2TRP248−28.402−4.92822.297
ATOM2301CE3TRP248−28.113−2.53222.039
ATOM2302CZ2TRP248−29.245−4.77223.397
ATOM2303CZ3TRP248−28.933−2.36323.162
ATOM2304CH2TRP248−29.505−3.46223.819
ATOM2305HATRP248−25.403−2.30120.841
ATOM2306HTRP248−24.475−2.49218.141
ATOM2307HB1TRP248−26.884−3.07918.971
ATOM2308HB2TRP248−25.855−4.52418.759
ATOM2309HE1TRP248−28.253−7.01122.025
ATOM2310HD1TRP248−26.734−6.58420.059
ATOM2311HZ2TRP248−29.678−5.62923.901
ATOM2312HH2TRP248−30.159−3.29524.669
ATOM2313HZ3TRP248−29.13−1.36223.534
ATOM2314HE3TRP248−27.696−1.68621.505
ATOM2315NLEU249−23.12−4.61520.213
ATOM2316CALEU249−22.182−5.44420.963
ATOM2317CLEU249−21.392−4.59121.935
ATOM2318OLEU249−21.154−5.0623.036
ATOM2319CBLEU249−21.142−6.17620.066
ATOM2320CGLEU249−21.725−7.15819.005
ATOM2321CD1LEU249−20.561−7.84518.236
ATOM2322CD2LEU249−22.66−8.2319.629
ATOM2323HALEU249−22.745−6.18721.552
ATOM2324HLEU249−22.966−4.46519.234
ATOM2325HB1LEU249−20.541−5.41319.547
ATOM2326HB2LEU249−20.471−6.74720.728
ATOM2327HGLEU249−22.312−6.59518.265
ATOM2328HD21LEU249−23.584−7.77320.015
ATOM2329HD22LEU249−22.954−8.97118.87
ATOM2330HD23LEU249−22.147−8.75520.449
ATOM2331HD11LEU249−19.95−8.44918.925
ATOM2332HD12LEU249−20.952−8.50617.447
ATOM2333HD13LEU249−19.912−7.09417.761
ATOM2334NTYR250−20.948−3.36721.554
ATOM2335CATYR250−19.992−2.62622.383
ATOM2336CTYR250−20.536−1.42123.126
ATOM2337OTYR250−20.208−1.30624.297
ATOM2338CBTYR250−18.79−2.20521.493
ATOM2339CGTYR250−18.234−3.36420.639
ATOM2340CD1TYR250−17.788−3.1119.336
ATOM2341CD2TYR250−18.16−4.67721.121
ATOM2342CE1TYR250−17.354−4.15218.51
ATOM2343CE2TYR250−17.777−5.72720.281
ATOM2344CZTYR250−17.403−5.47618.961
ATOM2345OHTYR250−17.082−6.54818.123
ATOM2346HATYR250−19.586−3.27423.175
ATOM2347HTYR250−21.199−2.97920.665
ATOM2348HB2TYR250−19.137−1.39620.83
ATOM2349HB1TYR250−17.972−1.81222.116
ATOM2350HD2TYR250−18.393−4.91322.151
ATOM2351HE2TYR250−17.77−6.74620.653
ATOM2352HE1TYR250−16.975−3.92717.52
ATOM2353HD1TYR250−17.777−2.09618.952
ATOM2354HHTYR250−16.937−6.30217.216
ATOM2355NALA251−21.321−0.48422.537
ATOM2356CAALA251−21.6680.72223.295
ATOM2357CALA251−22.9281.45622.877
ATOM2358OALA251−23.9870.94123.201
ATOM2359CBALA251−20.4251.6423.378
ATOM2360HAALA251−21.8970.43324.335
ATOM2361HALA251−21.623−0.56121.586
ATOM2362HB1ALA251−20.1091.89122.362
ATOM2363HB2ALA251−20.642.5723.924
ATOM2364HB3ALA251−19.5981.11623.874
ATOM2365NARG252−22.92.65622.237
ATOM2366CAARG252−24.0873.50722.24
ATOM2367CARG252−24.6743.71720.865
ATOM2368OARG252−24.0064.24219.988
ATOM2369CBARG252−23.7714.91722.81
ATOM2370CGARG252−23.34.84724.286
ATOM2371CDARG252−23.1296.26524.898
ATOM2372NEARG252−22.8676.14826.337
ATOM2373CZARG252−23.7925.87327.235
ATOM2374NH1ARG252−25.0555.6926.935
ATOM2375NH2ARG252−23.445.77128.496
ATOM2376HAARG252−24.8593.10822.917
ATOM2377HARG252−22.0913.05921.808
ATOM2378HB1ARG252−22.9935.40322.204
ATOM2379HB2ARG252−24.6835.53422.756
ATOM2380HG1ARG252−24.0284.26524.87
ATOM2381HG2ARG252−22.3384.31624.346
ATOM2382HD1ARG252−22.2656.7424.4
ATOM2383HD2ARG252−23.9866.92624.699
ATOM2384HEARG252−21.8936.29126.647
ATOM2385HH12ARG252−25.7535.44727.659
ATOM2386HH11ARG252−25.4135.76325.973
ATOM2387HH22ARG252−24.1355.55429.226
ATOM2388HH21ARG252−22.4625.928.792
ATOM2389NLEU253−25.9613.36120.68
ATOM2390CALEU253−26.7293.95119.592
ATOM2391CLEU253−27.265.19520.29
ATOM2392OLEU253−28.2295.09121.024
ATOM2393CBLEU253−27.7442.88119.103
ATOM2394CGLEU253−27.0271.64118.467
ATOM2395CD1LEU253−27.9430.39718.401
ATOM2396CD2LEU253−26.4721.91717.042
ATOM2397HALEU253−26.1044.23718.734
ATOM2398HLEU253−26.4752.85321.376
ATOM2399HB1LEU253−28.3582.57319.963
ATOM2400HB2LEU253−28.4093.35718.377
ATOM2401HGLEU253−26.1951.35119.128
ATOM2402HD21LEU253−27.2692.2316.361
ATOM2403HD22LEU253−26.021.01916.602
ATOM2404HD23LEU253−25.7112.717.066
ATOM2405HD11LEU253−28.8180.59217.764
ATOM2406HD12LEU253−28.2620.14319.42
ATOM2407HD13LEU253−27.404−0.47217.993
ATOM2408NILE254−26.5816.36120.135
ATOM2409CAILE254−26.7737.51121.033
ATOM2410CILE254−27.9848.34820.665
ATOM2411OILE254−28.1578.54119.473
ATOM2412CBILE254−25.4818.40621.05
ATOM2413CG1ILE254−25.3959.30322.324
ATOM2414CG2ILE254−25.3429.29219.775
ATOM2415CD1ILE254−24.07610.11722.439
ATOM2416HAILE254−26.8937.07522.036
ATOM2417HILE254−25.8726.41219.432
ATOM2418HBILE254−24.6187.71821.088
ATOM2419HG11ILE254−26.23610.01722.334
ATOM2420HG12ILE254−25.4528.6623.217
ATOM2421HD11ILE254−24.01310.90721.672
ATOM2422HD12ILE254−24.0210.60123.428
ATOM2423HD13ILE254−23.2149.44522.338
ATOM2424HG21ILE254−26.05110.13319.812
ATOM2425HG22ILE254−24.3219.6919.684
ATOM2426HG23ILE254−25.548.73118.857
ATOM2427NPRO255−28.8488.87621.577
ATOM2428CAPRO255−29.9939.66621.126
ATOM2429CPRO255−29.71911.0620.594
ATOM2430OPRO255−28.60811.55720.68
ATOM2431CBPRO255−30.8429.69922.423
ATOM2432CGPRO255−29.789.62723.54
ATOM2433CDPRO255−28.7868.57123.003
ATOM2434HAPRO255−30.5439.12820.351
ATOM2435HD2PRO255−29.1667.55223.182
ATOM2436HD1PRO255−27.8168.69323.499
ATOM2437HG2PRO255−30.2049.36124.523
ATOM2438HG1PRO255−29.27710.60623.616
ATOM2439HB1PRO255−31.48910.58622.507
ATOM2440HB2PRO255−31.4688.79322.489
ATOM2441NPHE256−30.78211.6920.032
ATOM2442CAPHE256−30.70613.03519.457
ATOM2443CPHE256−31.81813.85720.074
ATOM2444OPHE256−32.80714.08219.398
ATOM2445CBPHE256−30.8712.89317.917
ATOM2446CGPHE256−31.06814.22517.171
ATOM2447CD1PHE256−29.97315.05116.898
ATOM2448CD2PHE256−32.33914.62416.737
ATOM2449CE1PHE256−30.14616.24716.197
ATOM2450CE2PHE256−32.52415.8516.093
ATOM2451CZPHE256−31.42316.66215.812
ATOM2452HAPHE256−29.73813.52219.637
ATOM2453HPHE256−31.66811.22419.966
ATOM2454HB1PHE256−29.98712.36917.531
ATOM2455HB2PHE256−31.73312.26117.691
ATOM2456HD2PHE256−33.20213.98716.894
ATOM2457HE2PHE256−33.52216.16915.809
ATOM2458HZPHE256−31.55917.60815.3
ATOM2459HE1PHE256−29.28616.85315.949
ATOM2460HD1PHE256−28.98414.76617.227
ATOM2461NPRO257−31.76114.32921.343
ATOM2462CAPRO257−32.8915.08321.881
ATOM2463CPRO257−32.87416.49621.338
ATOM2464OPRO257−32.53817.41422.069
ATOM2465CBPRO257−32.55214.98423.391
ATOM2466CGPRO257−31.00614.98423.419
ATOM2467CDPRO257−30.62314.08622.219
ATOM2468HAPRO257−33.86814.61721.675
ATOM2469HD2PRO257−30.59413.02522.511
ATOM2470HD1PRO257−29.6514.39121.804
ATOM2471HG2PRO257−30.58914.62424.374
ATOM2472HG1PRO257−30.64416.01123.241
ATOM2473HB1PRO257−33.00115.78723.997
ATOM2474HB2PRO257−32.90214.01523.783
ATOM2475NGLY258−33.24316.70220.052
ATOM2476CAGLY258−33.22518.04619.468
ATOM2477CGLY258−34.62718.59619.361
ATOM2478OGLY258−34.99819.05818.293
ATOM2479HA2GLY258−32.78117.98718.461
ATOM2480HA1GLY258−32.62118.76120.047
ATOM2481HGLY258−33.55515.94219.471
ATOM2482NGLY259−35.43618.56120.445
ATOM2483CAGLY259−36.84418.93920.316
ATOM2484CGLY259−37.50917.81219.565
ATOM2485OGLY259−38.19617.01120.178
ATOM2486HA2GLY259−36.9619.8919.773
ATOM2487HA1GLY259−37.31719.05721.305
ATOM2488HGLY259−35.11118.19321.319
ATOM2489NALA260−37.26417.70818.24
ATOM2490CAALA260−37.56816.4617.544
ATOM2491CALA260−36.58215.42318.035
ATOM2492OALA260−35.61115.80518.67
ATOM2493CBALA260−37.43816.63616.013
ATOM2494HAALA260−38.59216.13117.787
ATOM2495HB1ALA260−38.14517.40215.668
ATOM2496HB2ALA260−36.41316.94615.757
ATOM2497HB3ALA260−37.66115.69815.492
ATOM2498HALA260−36.72318.40417.763
ATOM2499NVAL261−36.81214.11117.784
ATOM2500CAVAL261−36.02213.08418.466
ATOM2501CVAL261−35.51512.02517.506
ATOM2502OVAL261−36.14711.7916.489
ATOM2503CBVAL261−36.912.4919.605
ATOM2504CG1VAL261−36.11511.46520.466
ATOM2505CG2VAL261−37.45813.62620.511
ATOM2506HAVAL261−35.13713.52918.939
ATOM2507HBVAL261−37.74811.96519.134
ATOM2508HG11VAL261−35.21511.9420.884
ATOM2509HG12VAL261−36.72711.09621.301
ATOM2510HG13VAL261−35.82710.59519.856
ATOM2511HG21VAL261−38.14914.27419.952
ATOM2512HG22VAL261−38.01513.21421.364
ATOM2513HG23VAL261−36.63514.24220.904
ATOM2514HVAL261−37.5813.80617.218
ATOM2515NGLY262−34.36711.37317.805
ATOM2516CAGLY262−33.82710.35616.902
ATOM2517CGLY262−32.5529.77317.467
ATOM2518OGLY262−32.3459.95518.656
ATOM2519HA2GLY262−33.62210.80615.92
ATOM2520HA1GLY262−34.5549.5416.782
ATOM2521HGLY262−33.86311.56618.649
ATOM2522NCYS263−31.6889.08616.68
ATOM2523CACYS263−30.4968.47417.272
ATOM2524CCYS263−29.3778.18716.289
ATOM2525OCYS263−29.678.0815.109
ATOM2526CBCYS263−30.897.09517.849
ATOM2527SGCYS263−31.9757.13519.301
ATOM2528HACYS263−30.0849.14318.04
ATOM2529HB1CYS263−31.416.53317.061
ATOM2530HB2CYS263−29.9676.58418.161
ATOM2531LPG1CYS263−32.177.76919.447
ATOM2532LPG2CYS263−32.5236.74519.21
ATOM2533HCYS263−31.8698.93215.707
ATOM2534NGLY264−28.1098.0316.764
ATOM2535CAGLY264−26.9817.76415.865
ATOM2536CGLY264−25.8776.94616.505
ATOM2537OGLY264−25.9246.67617.691
ATOM2538HA2GLY264−26.5318.71215.539
ATOM2539HA1GLY264−27.3137.20214.977
ATOM2540HGLY264−27.9048.11217.745
ATOM2541NILE265−24.8386.54115.743
ATOM2542CAILE265−23.9095.50716.221
ATOM2543CILE265−22.6956.04116.968
ATOM2544OILE265−21.966.79716.355
ATOM2545CBILE265−23.5374.5615.024
ATOM2546CG1ILE265−24.8234.05514.29
ATOM2547CG2ILE265−22.5545.18513.999
ATOM2548CD1ILE265−24.6172.80513.387
ATOM2549HAILE265−24.4424.86116.936
ATOM2550HBILE265−22.9883.71115.453
ATOM2551HG11ILE265−25.5823.79315.037
ATOM2552HG12ILE265−25.254.85913.669
ATOM2553HD11ILE265−24.1052.00113.934
ATOM2554HD12ILE265−25.5922.41913.05
ATOM2555HD13ILE265−24.0323.04112.487
ATOM2556HG21ILE265−22.3614.50413.163
ATOM2557HG22ILE265−22.9696.10413.573
ATOM2558HG23ILE265−21.5835.39514.469
ATOM2559HILE265−24.7286.91614.825
ATOM2560NARG266−22.3945.66518.246
ATOM2561CAARG266−21.1376.08618.884
ATOM2562CARG266−20.4764.96619.685
ATOM2563OARG266−21.1514.30620.458
ATOM2564CBARG266−21.4387.31619.782
ATOM2565CGARG266−20.1338.01620.248
ATOM2566CDARG266−20.4069.29921.079
ATOM2567NEARG266−19.18810.09821.237
ATOM2568CZARG266−19.15511.31721.729
ATOM2569NH1ARG266−20.22311.93422.172
ATOM2570NH2ARG266−18.00311.94221.786
ATOM2571HAARG266−20.4256.39318.103
ATOM2572HARG266−22.9815.09618.825
ATOM2573HB1ARG266−22.0428.02519.191
ATOM2574HB2ARG266−22.0337.00720.654
ATOM2575HG1ARG266−19.57.32320.828
ATOM2576HG2ARG266−19.5898.31119.342
ATOM2577HD1ARG266−21.1619.87720.528
ATOM2578HD2ARG266−20.8029.01322.066
ATOM2579HEARG266−18.3069.67120.922
ATOM2580HH12ARG266−20.1612.8922.548
ATOM2581HH11ARG266−21.14511.48422.171
ATOM2582HH22ARG266−17.12811.50521.456
ATOM2583HH21ARG266−17.91612.89322.173
ATOM2584NLEU267−19.1484.70619.533
ATOM2585CALEU267−18.5053.53620.17
ATOM2586CLEU267−18.3693.7221.677
ATOM2587OLEU267−18.9784.65722.169
ATOM2588CBLEU267−19.1722.19919.711
ATOM2589CGLEU267−18.9511.7918.223
ATOM2590CD1LEU267−19.4322.86817.214
ATOM2591CD2LEU267−17.4841.36317.939
ATOM2592HALEU267−17.4563.51719.837
ATOM2593HLEU267−18.5715.30818.975
ATOM2594HB1LEU267−18.811.3520.296
ATOM2595HB2LEU267−20.2462.23919.905
ATOM2596HGLEU267−19.5680.88818.052
ATOM2597HD21LEU267−17.4140.92916.932
ATOM2598HD22LEU267−17.1520.618.66
ATOM2599HD23LEU267−16.7942.21717.993
ATOM2600HD11LEU267−19.5082.4216.213
ATOM2601HD12LEU267−20.4243.25517.492
ATOM2602HD13LEU267−18.7233.70517.158
ATOM2603NPRO268−17.5842.93822.48
ATOM2604CAPRO268−17.33.36923.849
ATOM2605CPRO268−16.264.45923.748
ATOM2606OPRO268−16.0584.9322.641
ATOM2607CBPRO268−16.6272.08224.397
ATOM2608CGPRO268−15.8551.55823.166
ATOM2609CDPRO268−16.8811.73922.024
ATOM2610HAPRO268−18.1853.68424.424
ATOM2611HD2PRO268−17.5440.8622.06
ATOM2612HD1PRO268−16.3761.81321.049
ATOM2613HG2PRO268−15.510.51723.282
ATOM2614HG1PRO268−14.9782.20222.987
ATOM2615HB1PRO268−15.9672.23425.264
ATOM2616HB2PRO268−17.3931.34624.683
ATOM2617NASN269−15.5594.85624.839
ATOM2618CAASN269−14.3455.66324.658
ATOM2619CASN269−14.7256.81823.756
ATOM2620OASN269−14.2086.92922.655
ATOM2621CBASN269−13.3084.68124.043
ATOM2622CGASN269−11.8575.02524.254
ATOM2623OD1ASN269−11.5465.96924.963
ATOM2624ND2ASN269−10.9364.23823.659
ATOM2625HAASN269−13.9616.01725.627
ATOM2626HB1ASN269−13.4273.70224.534
ATOM2627HB2ASN269−13.5164.54522.975
ATOM2628HD22ASN269−9.9634.39123.829
ATOM2629HD21ASN269−11.2133.50623.029
ATOM2630HASN269−15.7854.5325.758
ATOM2631NPRO270−15.7117.65224.166
ATOM2632CAPRO270−16.5978.26423.185
ATOM2633CPRO270−15.9799.10822.101
ATOM2634OPRO270−16.6939.36221.145
ATOM2635CBPRO270−17.5389.07224.117
ATOM2636CGPRO270−16.7539.19725.442
ATOM2637CDPRO270−16.0467.8325.57
ATOM2638HAPRO270−17.1617.4622.68
ATOM2639HD2PRO270−16.7377.04525.914
ATOM2640HD1PRO270−15.1817.91226.247
ATOM2641HG2PRO270−17.3939.43326.308
ATOM2642HG1PRO270−15.9949.99125.331
ATOM2643HB1PRO270−17.81410.05923.719
ATOM2644HB2PRO270−18.4618.49924.309
ATOM2645NASP271−14.7149.56322.189
ATOM2646CAASP271−14.14910.38921.118
ATOM2647CASP271−13.1519.64120.255
ATOM2648OASP271−13.1169.89719.061
ATOM2649CBASP271−13.57611.66821.773
ATOM2650CGASP271−14.71912.32322.508
ATOM2651OD1ASP271−15.67712.78121.826
ATOM2652OD2ASP271−14.68912.36723.765
ATOM2653HAASP271−14.92610.74620.422
ATOM2654HB1ASP271−12.7611.40822.465
ATOM2655HB2ASP271−13.18412.35621.008
ATOM2656HASP271−14.1629.36723.001
ATOM2657NTHR272−12.3268.71420.791
ATOM2658CATHR272−11.3358.04319.949
ATOM2659CTHR272−11.986.91119.18
ATOM2660OTHR272−11.9836.96217.959
ATOM2661CBTHR272−10.1797.51220.835
ATOM2662OG1THR272−10.7936.77721.904
ATOM2663CG2THR272−9.3378.6821.417
ATOM2664HATHR272−10.98.75119.223
ATOM2665HBTHR272−9.5286.85220.234
ATOM2666HG1THR272−10.1526.42622.511
ATOM2667HG23THR272−8.8819.27120.609
ATOM2668HG21THR272−9.979.34222.028
ATOM2669HG22THR272−8.538.28422.054
ATOM2670HTHR272−12.3898.43621.751
ATOM2671NASP273−12.5355.87819.856
ATOM2672CAASP273−13.2074.80819.114
ATOM2673CASP273−14.225.41218.167
ATOM2674OASP273−14.3334.93517.049
ATOM2675CBASP273−13.9373.78220.018
ATOM2676CGASP273−12.9732.98820.858
ATOM2677OD1ASP273−13.2571.78821.117
ATOM2678OD2ASP273−11.9253.55221.27
ATOM2679HAASP273−12.4484.26418.527
ATOM2680HASP273−12.4845.81820.857
ATOM2681HB1ASP273−14.5073.08119.386
ATOM2682HB2ASP273−14.6474.30620.674
ATOM2683NLEU274−14.9576.46818.577
ATOM2684CALEU274−15.8317.15917.626
ATOM2685CLEU274−15.0317.5816.417
ATOM2686OLEU274−15.47.22715.307
ATOM2687CBLEU274−16.4768.43118.25
ATOM2688CGLEU274−17.0699.45417.231
ATOM2689CD1LEU274−18.1698.83116.33
ATOM2690CD2LEU274−17.63410.70117.97
ATOM2691HALEU274−16.6276.46317.31
ATOM2692HLEU274−14.8846.80719.519
ATOM2693HB1LEU274−15.6958.96518.81
ATOM2694HB2LEU274−17.2418.10418.968
ATOM2695HGLEU274−16.2619.82816.579
ATOM2696HD21LEU274−16.87411.14518.631
ATOM2697HD22LEU274−17.94311.4717.244
ATOM2698HD23LEU274−18.51110.43118.573
ATOM2699HD11LEU274−19.0078.45916.937
ATOM2700HD12LEU274−18.5519.59915.64
ATOM2701HD13LEU274−17.7847.99815.725
ATOM2702NTYR275−13.9448.35916.615
ATOM2703CATYR275−13.2368.90815.462
ATOM2704CTYR275−12.8737.79314.508
ATOM2705OTYR275−13.1147.90713.316
ATOM2706CBTYR275−11.9629.69315.877
ATOM2707CGTYR275−11.39910.43714.659
ATOM2708CD1TYR275−11.68911.79214.458
ATOM2709CD2TYR275−10.5989.76413.73
ATOM2710CE1TYR275−11.24812.44813.305
ATOM2711CE2TYR275−10.15610.42112.578
ATOM2712CZTYR275−10.48911.75912.351
ATOM2713OHTYR275−10.05412.38111.177
ATOM2714HATYR275−13.9239.60614.96
ATOM2715HTYR275−13.638.59817.537
ATOM2716HB2TYR275−11.2039.01116.291
ATOM2717HB1TYR275−12.21710.42216.662
ATOM2718HD2TYR275−10.3188.72913.897
ATOM2719HE2TYR275−9.5519.8911.85
ATOM2720HE1TYR275−11.50513.49313.158
ATOM2721HD1TYR275−12.26512.34415.194
ATOM2722HHTYR275−10.3513.27911.079
ATOM2723NTRP276−12.2946.69115.033
ATOM2724CATRP276−11.9465.57514.157
ATOM2725CTRP276−13.194.93213.583
ATOM2726OTRP276−13.1854.56512.417
ATOM2727CBTRP276−11.1294.50614.93
ATOM2728CGTRP276−10.8143.34714.02
ATOM2729CD1TRP276−9.7643.22913.192
ATOM2730CD2TRP276−11.642.09513.868
ATOM2731NE1TRP276−9.842.0912.554
ATOM2732CE2TRP276−10.9331.38812.913
ATOM2733CE3TRP276−12.8111.60114.441
ATOM2734CZ2TRP276−11.3650.14412.453
ATOM2735CZ3TRP276−13.2650.35913.974
ATOM2736CH2TRP276−12.557−0.35512.994
ATOM2737HATRP276−11.3245.94813.327
ATOM2738HTRP276−12.1296.61716.022
ATOM2739HB1TRP276−11.6914.13915.803
ATOM2740HB2TRP276−10.1914.95815.291
ATOM2741HE1TRP276−9.151.76911.858
ATOM2742HD1TRP276−8.9773.97613.075
ATOM2743HZ2TRP276−10.802−0.40711.706
ATOM2744HH2TRP276−12.939−1.31112.65
ATOM2745HZ3TRP276−14.179−0.0614.38
ATOM2746HE3TRP276−13.3382.15215.211
ATOM2747NPHE277−14.2664.76514.384
ATOM2748CAPHE277−15.4244.03213.89
ATOM2749CPHE277−16.0724.73212.726
ATOM2750OPHE277−16.4124.0611.766
ATOM2751CBPHE277−16.5183.77914.952
ATOM2752CGPHE277−17.5782.86214.322
ATOM2753CD1PHE277−18.7693.37913.797
ATOM2754CD2PHE277−17.3441.48414.26
ATOM2755CE1PHE277−19.7212.51813.243
ATOM2756CE2PHE277−18.2990.62213.716
ATOM2757CZPHE277−19.4951.13913.212
ATOM2758HAPHE277−15.0643.04913.558
ATOM2759HPHE277−14.2745.09915.327
ATOM2760HB1PHE277−16.0713.28515.828
ATOM2761HB2PHE277−16.9554.73315.284
ATOM2762HD1PHE277−18.9584.44813.814
ATOM2763HE1PHE277−20.642.91412.829
ATOM2764HZPHE277−20.2460.47212.796
ATOM2765HE2PHE277−18.112−0.44813.683
ATOM2766HD2PHE277−16.4131.07614.633
ATOM2767NTHR278−16.2776.06612.765
ATOM2768CATHR278−16.886.69911.597
ATOM2769CTHR278−16.016.43910.392
ATOM2770OTHR278−16.5436.0779.355
ATOM2771CBTHR278−17.0588.23411.726
ATOM2772OG1THR278−17.8818.53312.864
ATOM2773CG2THR278−17.6388.82210.407
ATOM2774HATHR278−17.8786.25511.449
ATOM2775HTHR278−16.0256.62913.56
ATOM2776HBTHR278−16.0798.69411.92
ATOM2777HG1THR278−18.7598.17812.785
ATOM2778HG23THR278−16.9038.8079.588
ATOM2779HG21THR278−17.9539.86210.562
ATOM2780HG22THR278−18.5068.23510.084
ATOM2781NLEU279−14.6766.63410.499
ATOM2782CALEU279−13.8316.3949.332
ATOM2783CLEU279−14.0534.9748.862
ATOM2784OLEU279−14.3114.7667.687
ATOM2785CBLEU279−12.3326.6449.653
ATOM2786CGLEU279−11.3516.2388.511
ATOM2787CD1LEU279−11.6347.0037.187
ATOM2788CD2LEU279−9.8866.4998.968
ATOM2789HALEU279−14.1547.0918.543
ATOM2790HLEU279−14.2616.92911.363
ATOM2791HB1LEU279−12.27.7119.894
ATOM2792HB2LEU279−12.0686.06410.551
ATOM2793HGLEU279−11.4495.1568.313
ATOM2794HD21LEU279−9.6615.9389.889
ATOM2795HD22LEU279−9.1746.188.192
ATOM2796HD23LEU279−9.7317.5729.165
ATOM2797HD11LEU279−11.6228.097.364
ATOM2798HD12LEU279−10.8656.7636.436
ATOM2799HD13LEU279−12.6096.7246.762
ATOM2800NTYR280−13.9653.9849.777
ATOM2801CATYR280−14.2022.5959.385
ATOM2802CTYR280−15.5492.4388.714
ATOM2803OTYR280−15.6131.867.64
ATOM2804CBTYR280−14.1421.67510.634
ATOM2805CGTYR280−14.6990.2710.363
ATOM2806CD1TYR280−16.031−0.02810.675
ATOM2807CD2TYR280−13.882−0.7269.819
ATOM2808CE1TYR280−16.521−1.32410.501
ATOM2809CE2TYR280−14.372−2.0249.649
ATOM2810CZTYR280−15.689−2.33410.012
ATOM2811OHTYR280−16.193−3.6349.895
ATOM2812HATYR280−13.4172.288.677
ATOM2813HTYR280−13.7474.19810.734
ATOM2814HB2TYR280−13.1051.62410.998
ATOM2815HB1TYR280−14.7452.11211.44
ATOM2816HD2TYR280−12.863−0.4929.531
ATOM2817HE2TYR280−13.722−2.7869.234
ATOM2818HE1TYR280−17.553−1.55210.748
ATOM2819HD1TYR280−16.6940.74211.056
ATOM2820HHTYR280−15.546−4.2859.646
ATOM2821NGLN281−16.6442.9299.332
ATOM2822CAGLN281−17.9682.7188.753
ATOM2823CGLN281−18.0713.4077.416
ATOM2824OGLN281−18.4872.7796.457
ATOM2825CBGLN281−19.0913.2729.672
ATOM2826CGGLN281−20.4983.1039.036
ATOM2827CDGLN281−21.5613.7039.921
ATOM2828OE1GLN281−22.3212.96810.53
ATOM2829NE2GLN281−21.6445.04610.015
ATOM2830HAGLN281−18.1261.6358.62
ATOM2831HGLN281−16.5613.43410.193
ATOM2832HB1GLN281−19.0592.7310.629
ATOM2833HB2GLN281−18.9074.3379.879
ATOM2834HG1GLN281−20.5623.6098.06
ATOM2835HG2GLN281−20.7042.0348.874
ATOM2836HE22GLN281−22.3445.45410.604
ATOM2837HE21GLN281−21.0235.6529.516
ATOM2838NPHE282−17.7314.7097.328
ATOM2839CAPHE282−17.9085.4066.058
ATOM2840CPHE282−17.0294.7595.014
ATOM2841OPHE282−17.4864.5213.907
ATOM2842CBPHE282−17.5676.9136.185
ATOM2843CGPHE282−17.8687.6164.854
ATOM2844CD1PHE282−19.1937.9074.512
ATOM2845CD2PHE282−16.8377.9673.975
ATOM2846CE1PHE282−19.4888.553.307
ATOM2847CE2PHE282−17.1288.6352.782
ATOM2848CZPHE282−18.4528.9382.453
ATOM2849HAPHE282−18.9635.3065.752
ATOM2850HPHE282−17.3615.2038.116
ATOM2851HB1PHE282−18.1847.3686.977
ATOM2852HB2PHE282−16.5117.046.471
ATOM2853HD2PHE282−15.8077.7224.213
ATOM2854HE2PHE282−16.3258.9192.11
ATOM2855HZPHE282−18.6779.4711.535
ATOM2856HE1PHE282−20.5198.7463.034
ATOM2857HD1PHE282−19.9977.6295.183
ATOM2858NPHE283−15.7574.4565.35
ATOM2859CAPHE283−14.8933.8034.372
ATOM2860CPHE283−15.4822.4763.943
ATOM2861OPHE283−15.6982.2632.76
ATOM2862CBPHE283−13.4663.5674.937
ATOM2863CGPHE283−12.6572.6773.985
ATOM2864CD1PHE283−12.4431.3264.287
ATOM2865CD2PHE283−12.1253.2112.806
ATOM2866CE1PHE283−11.6480.5353.453
ATOM2867CE2PHE283−11.3482.4151.96
ATOM2868CZPHE283−11.0881.0832.296
ATOM2869HAPHE283−14.8054.4623.494
ATOM2870HPHE283−15.3984.6576.265
ATOM2871HB1PHE283−12.9514.5315.074
ATOM2872HB2PHE283−13.523.0835.923
ATOM2873HD2PHE283−12.3144.2472.544
ATOM2874HE2PHE283−10.9432.8311.042
ATOM2875HZPHE283−10.4520.4741.661
ATOM2876HE1PHE283−11.465−0.5053.706
ATOM2877HD1PHE283−12.8910.8825.17
ATOM2878NLEU284−15.7311.564.903
ATOM2879CALEU284−16.1660.2134.537
ATOM2880CLEU284−17.5690.2313.982
ATOM2881OLEU284−17.791−0.2812.897
ATOM2882CBLEU284−16.131−0.7435.767
ATOM2883CGLEU284−16.772−2.1465.524
ATOM2884CD1LEU284−16.076−2.9184.37
ATOM2885CD2LEU284−16.715−2.9826.833
ATOM2886HALEU284−15.475−0.1723.769
ATOM2887HLEU284−15.6081.7865.873
ATOM2888HB1LEU284−15.084−0.866.091
ATOM2889HB2LEU284−16.685−0.2746.596
ATOM2890HGLEU284−17.839−2.0265.266
ATOM2891HD21LEU284−17.244−2.4597.644
ATOM2892HD22LEU284−17.195−3.9646.693
ATOM2893HD23LEU284−15.67−3.1447.134
ATOM2894HD11LEU284−14.991−2.9754.545
ATOM2895HD12LEU284−16.474−3.9424.299
ATOM2896HD13LEU284−16.257−2.4273.404
ATOM2897NALA285−18.5390.7824.742
ATOM2898CAALA285−19.9450.6164.381
ATOM2899CALA285−20.471.6823.445
ATOM2900OALA285−21.6191.553.055
ATOM2901CBALA285−20.7910.5055.677
ATOM2902HAALA285−20.068−0.3373.842
ATOM2903HALA285−18.3171.2865.579
ATOM2904HB1ALA285−21.8080.1565.451
ATOM2905HB2ALA285−20.329−0.2186.367
ATOM2906HB3ALA285−20.8481.4826.179
ATOM2907NPHE286−19.6872.7173.052
ATOM2908CAPHE286−20.1593.6642.036
ATOM2909CPHE286−19.1423.8470.928
ATOM2910OPHE286−19.4893.612−0.22
ATOM2911CBPHE286−20.545.0452.623
ATOM2912CGPHE286−21.0155.9381.465
ATOM2913CD1PHE286−22.3595.941.077
ATOM2914CD2PHE286−20.1036.7420.772
ATOM2915CE1PHE286−22.7966.7750.043
ATOM2916CE2PHE286−20.5327.562−0.275
ATOM2917CZPHE286−21.8827.587−0.634
ATOM2918HAPHE286−21.0783.2951.553
ATOM2919HPHE286−18.7692.8493.432
ATOM2920HB1PHE286−21.3384.9263.373
ATOM2921HB2PHE286−19.6795.5063.126
ATOM2922HD2PHE286−19.0526.7281.041
ATOM2923HE2PHE286−19.8178.179−0.81
ATOM2924HZPHE286−22.228.234−1.438
ATOM2925HE1PHE286−23.8446.791−0.237
ATOM2926HD1PHE286−23.0685.2871.572
ATOM2927NALA287−17.8924.2811.204
ATOM2928CAALA287−16.9744.5520.099
ATOM2929CALA287−16.8073.319−0.757
ATOM2930OALA287−17.0033.408−1.958
ATOM2931CBALA287−15.5785.0390.565
ATOM2932HAALA287−17.4145.357−0.513
ATOM2933HALA287−17.5874.4672.14
ATOM2934HB1ALA287−14.9685.323−0.307
ATOM2935HB2ALA287−15.6815.9151.224
ATOM2936HB3ALA287−15.0494.2431.106
ATOM2937NLEU288−16.4422.154−0.178
ATOM2938CALEU288−16.230.981−1.024
ATOM2939CLEU288−17.4590.635−1.851
ATOM2940OLEU288−17.3160.632−3.066
ATOM2941CBLEU288−15.646−0.248−0.271
ATOM2942CGLEU288−14.229−0.0370.356
ATOM2943CD1LEU288−13.762−1.3651.018
ATOM2944CD2LEU288−13.1660.424−0.683
ATOM2945HALEU288−15.4721.271−1.768
ATOM2946HLEU288−16.2992.0870.814
ATOM2947HB1LEU288−16.335−0.5310.536
ATOM2948HB2LEU288−15.594−1.087−0.983
ATOM2949HGLEU288−14.280.7271.15
ATOM2950HD21LEU288−13.321.473−0.978
ATOM2951HD22LEU288−12.1530.359−0.259
ATOM2952HD23LEU288−13.204−0.213−1.579
ATOM2953HD11LEU288−13.665−2.1580.262
ATOM2954HD12LEU288−12.788−1.2381.512
ATOM2955HD13LEU288−14.486−1.6931.778
ATOM2956NPRO289−18.6840.342−1.341
ATOM2957CAPRO289−19.7750.046−2.258
ATOM2958CPRO289−20.0671.222−3.163
ATOM2959OPRO289−20.4030.988−4.312
ATOM2960CBPRO289−20.921−0.285−1.27
ATOM2961CGPRO289−20.520.4090.051
ATOM2962CDPRO289−18.9780.2860.085
ATOM2963HAPRO289−19.534−0.836−2.876
ATOM2964HD2PRO289−18.703−0.7040.48
ATOM2965HD1PRO289−18.5311.0830.694
ATOM2966HG2PRO289−21.008−0.0330.936
ATOM2967HG1PRO289−20.8191.464−0.018
ATOM2968HB1PRO289−21.9040.045−1.64
ATOM2969HB2PRO289−20.951−1.373−1.09
ATOM2970NPHE290−19.9382.49−2.711
ATOM2971CAPHE290−20.1693.607−3.629
ATOM2972CPHE290−19.213.515−4.796
ATOM2973OPHE290−19.6173.696−5.934
ATOM2974CBPHE290−20.0024.981−2.927
ATOM2975CGPHE290−20.3066.104−3.927
ATOM2976CD1PHE290−21.66.629−4.028
ATOM2977CD2PHE290−19.2936.608−4.75
ATOM2978CE1PHE290−21.8867.627−4.963
ATOM2979CE2PHE290−19.5787.606−5.687
ATOM2980CZPHE290−20.8768.111−5.799
ATOM2981HAPHE290−21.2013.552−4.011
ATOM2982HPHE290−19.6422.686−1.773
ATOM2983HB1PHE290−20.695.047−2.069
ATOM2984HB2PHE290−18.9775.092−2.544
ATOM2985HD2PHE290−18.2816.224−4.669
ATOM2986HE2PHE290−18.797.985−6.331
ATOM2987HZPHE290−21.0998.878−6.534
ATOM2988HE1PHE290−22.8938.027−5.042
ATOM2989HD1PHE290−22.3896.261−3.38
ATOM2990NVAL291−17.9163.23−4.527
ATOM2991CAVAL291−16.953.117−5.617
ATOM2992CVAL291−17.3071.934−6.486
ATOM2993OVAL291−17.272.077−7.698
ATOM2994CBVAL291−15.4842.992−5.101
ATOM2995CG1VAL291−14.5072.585−6.242
ATOM2996CG2VAL291−15.0134.334−4.472
ATOM2997HAVAL291−17.0124.026−6.237
ATOM2998HVAL291−17.6133.062−3.586
ATOM2999HBVAL291−15.4462.202−4.332
ATOM3000HG11VAL291−14.5733.3−7.076
ATOM3001HG12VAL291−13.472.573−5.871
ATOM3002HG13VAL291−14.7351.578−6.624
ATOM3003HG21VAL291−15.7084.683−3.696
ATOM3004HG22VAL291−14.024.213−4.012
ATOM3005HG23VAL291−14.9455.116−5.244
ATOM3006NVAL292−17.6470.753−5.922
ATOM3007CAVAL292−17.964−0.384−6.79
ATOM3008CVAL292−19.182−0.042−7.619
ATOM3009OVAL292−19.177−0.295−8.814
ATOM3010CBVAL292−18.201−1.721−6.025
ATOM3011CG1VAL292−18.628−2.852−7.006
ATOM3012CG2VAL292−16.922−2.166−5.261
ATOM3013HAVAL292−17.114−0.54−7.476
ATOM3014HVAL292−17.7070.66−4.924
ATOM3015HBVAL292−19.015−1.566−5.296
ATOM3016HG11VAL292−17.865−2.987−7.789
ATOM3017HG12VAL292−18.743−3.807−6.47
ATOM3018HG13VAL292−19.587−2.623−7.494
ATOM3019HG21VAL292−16.588−1.407−4.54
ATOM3020HG22VAL292−17.117−3.095−4.702
ATOM3021HG23VAL292−16.099−2.353−5.969
ATOM3022NILE293−20.2390.536−7.008
ATOM3023CAILE293−21.4280.906−7.779
ATOM3024CILE293−21.0111.851−8.884
ATOM3025OILE293−21.4521.693−10.012
ATOM3026CBILE293−22.5131.578−6.878
ATOM3027CG1ILE293−23.1070.553−5.863
ATOM3028CG2ILE293−23.6492.214−7.733
ATOM3029CD1ILE293−23.6861.222−4.587
ATOM3030HAILE293−21.859−0.002−8.232
ATOM3031HILE293−20.1970.751−6.03
ATOM3032HBILE293−22.0182.393−6.323
ATOM3033HG11ILE293−23.896−0.036−6.356
ATOM3034HG12ILE293−22.331−0.154−5.531
ATOM3035HD11ILE293−24.5591.85−4.816
ATOM3036HD12ILE293−23.9870.446−3.869
ATOM3037HD13ILE293−22.9291.845−4.092
ATOM3038HG21ILE293−24.0881.46−8.403
ATOM3039HG22ILE293−24.4482.614−7.093
ATOM3040HG23ILE293−23.2683.046−8.346
ATOM3041NTHR294−20.1582.853−8.577
ATOM3042CATHR294−19.7863.827−9.601
ATOM3043CTHR294−18.9613.155−10.676
ATOM3044OTHR294−19.2773.29−11.848
ATOM3045CBTHR294−19.0185.04−9
ATOM3046OG1THR294−19.8435.762−8.065
ATOM3047CG2THR294−18.6036.045−10.106
ATOM3048HATHR294−20.714.226−10.051
ATOM3049HTHR294−19.7732.936−7.654
ATOM3050HBTHR294−18.1024.69−8.492
ATOM3051HG1THR294−20.0955.254−7.299
ATOM3052HG23THR294−17.9015.587−10.821
ATOM3053HG21THR294−19.4916.395−10.654
ATOM3054HG22THR294−18.116.916−9.647
ATOM3055NALA295−17.8892.421−10.313
ATOM3056CAALA295−17.0661.774−11.334
ATOM3057CALA295−17.9170.835−12.159
ATOM3058OALA295−17.8210.837−13.376
ATOM3059CBALA295−15.9020.975−10.693
ATOM3060HAALA295−16.6422.553−11.99
ATOM3061HALA295−17.6522.304−9.347
ATOM3062HB1ALA295−15.2910.499−11.476
ATOM3063HB2ALA295−15.261.649−10.105
ATOM3064HB3ALA295−16.2940.192−10.025
ATOM3065NALA296−18.7730.022−11.504
ATOM3066CAALA296−19.664−0.853−12.26
ATOM3067CALA296−20.524−0.018−13.18
ATOM3068OALA296−20.684−0.4−14.329
ATOM3069CBALA296−20.56−1.684−11.311
ATOM3070HAALA296−19.055−1.546−12.866
ATOM3071HALA296−18.8320.034−10.502
ATOM3072HB1ALA296−21.285−2.284−11.883
ATOM3073HB2ALA296−19.945−2.359−10.695
ATOM3074HB3ALA296−21.098−0.997−10.644
ATOM3075NTYR297−21.0781.13−12.722
ATOM3076CATYR297−21.821.975−13.653
ATOM3077CTYR297−20.9292.351−14.816
ATOM3078OTYR297−21.3732.258−15.949
ATOM3079CBTYR297−22.4153.283−13.067
ATOM3080CGTYR297−22.9184.142−14.241
ATOM3081CD1TYR297−24.0253.732−14.994
ATOM3082CD2TYR297−22.2575.325−14.593
ATOM3083CE1TYR297−24.44.432−16.146
ATOM3084CE2TYR297−22.6646.052−15.715
ATOM3085CZTYR297−23.7195.6−16.511
ATOM3086OHTYR297−24.076.323−17.655
ATOM3087HATYR297−22.6691.388−14.024
ATOM3088HTYR297−20.9661.433−11.771
ATOM3089HB2TYR297−23.2423.057−12.374
ATOM3090HB1TYR297−21.6423.821−12.502
ATOM3091HD2TYR297−21.4195.684−14.004
ATOM3092HE2TYR297−22.1586.976−15.973
ATOM3093HE1TYR297−25.224.063−16.754
ATOM3094HD1TYR297−24.5942.86−14.692
ATOM3095HHTYR297−24.9036.069−18.04
ATOM3096NVAL298−19.6752.786−14.571
ATOM3097CAVAL298−18.8173.176−15.691
ATOM3098CVAL298−18.6622.009−16.644
ATOM3099OVAL298−18.6232.232−17.843
ATOM3100CBVAL298−17.4353.726−15.228
ATOM3101CG1VAL298−16.4773.945−16.434
ATOM3102CG2VAL298−17.6015.067−14.455
ATOM3103HAVAL298−19.3273.983−16.243
ATOM3104HVAL298−19.3262.826−13.632
ATOM3105HBVAL298−16.9682.984−14.559
ATOM3106HG11VAL298−16.9394.619−17.172
ATOM3107HG12VAL298−15.5294.392−16.096
ATOM3108HG13VAL298−16.2372.991−16.93
ATOM3109HG21VAL298−18.2684.962−13.589
ATOM3110HG22VAL298−16.6245.419−14.086
ATOM3111HG23VAL298−18.0195.841−15.118
ATOM3112NARG299−18.5790.747−16.17
ATOM3113CAARG299−18.527−0.363−17.123
ATOM3114CARG299−19.861−0.479−17.835
ATOM3115OARG299−19.889−0.597−19.049
ATOM3116CBARG299−18.197−1.724−16.451
ATOM3117CGARG299−16.806−1.733−15.758
ATOM3118CDARG299−16.452−3.154−15.238
ATOM3119NEARG299−15.201−3.188−14.477
ATOM3120CZARG299−14.696−4.289−13.961
ATOM3121NH1ARG299−15.274−5.461−14.081
ATOM3122NH2ARG299−13.567−4.217−13.297
ATOM3123HAARG299−17.744−0.161−17.874
ATOM3124HARG299−18.610.565−15.184
ATOM3125HB1ARG299−18.976−1.96−15.71
ATOM3126HB2ARG299−18.213−2.503−17.231
ATOM3127HG1ARG299−16.03−1.407−16.471
ATOM3128HG2ARG299−16.807−1.034−14.908
ATOM3129HD1ARG299−17.284−3.503−14.603
ATOM3130HD2ARG299−16.349−3.808−16.119
ATOM3131HEARG299−14.701−2.294−14.351
ATOM3132HH12ARG299−14.853−6.306−13.667
ATOM3133HH11ARG299−16.159−5.581−14.589
ATOM3134HH22ARG299−13.138−5.055−12.878
ATOM3135HH21ARG299−13.074−3.32−13.175
ATOM3136NILE300−20.993−0.446−17.101
ATOM3137CAILE300−22.31−0.54−17.748
ATOM3138CILE300−22.4760.547−18.789
ATOM3139OILE300−23.0660.285−19.828
ATOM3140CBILE300−23.429−0.486−16.666
ATOM3141CG1ILE300−23.42−1.806−15.832
ATOM3142CG2ILE300−24.831−0.197−17.269
ATOM3143CD1ILE300−24.034−1.643−14.418
ATOM3144HAILE300−22.393−1.502−18.275
ATOM3145HILE300−20.931−0.317−16.108
ATOM3146HBILE300−23.2060.372−16.02
ATOM3147HG11ILE300−23.965−2.589−16.384
ATOM3148HG12ILE300−22.389−2.168−15.686
ATOM3149HD11ILE300−25.091−1.345−14.469
ATOM3150HD12ILE300−23.96−2.597−13.875
ATOM3151HD13ILE300−23.484−0.89−13.837
ATOM3152HG21ILE300−25.114−0.991−17.976
ATOM3153HG22ILE300−25.587−0.145−16.472
ATOM3154HG23ILE300−24.8460.771−17.795
ATOM3155NLEU301−21.951.765−18.519
ATOM3156CALEU301−22.0232.862−19.489
ATOM3157CLEU301−21.6742.312−20.857
ATOM3158OLEU301−22.3992.593−21.797
ATOM3159CBLEU301−21.0684.018−19.049
ATOM3160CGLEU301−21.2185.403−19.747
ATOM3161CD1LEU301−20.3356.453−19.011
ATOM3162CD2LEU301−20.8125.387−21.247
ATOM3163HALEU301−23.063.232−19.487
ATOM3164HLEU301−21.5091.924−17.634
ATOM3165HB1LEU301−21.2574.199−17.979
ATOM3166HB2LEU301−20.0273.688−19.165
ATOM3167HGLEU301−22.2665.73−19.655
ATOM3168HD21LEU301−21.5124.795−21.844
ATOM3169HD22LEU301−20.826.407−21.661
ATOM3170HD23LEU301−19.8024.969−21.37
ATOM3171HD11LEU301−19.2726.176−19.081
ATOM3172HD12LEU301−20.4667.453−19.455
ATOM3173HD13LEU301−20.6056.522−17.946
ATOM3174NGLN302−20.5911.5−20.965
ATOM3175CAGLN302−20.1780.924−22.252
ATOM3176CGLN302−21.3530.655−23.171
ATOM3177OGLN302−21.2851.015−24.335
ATOM3178CBGLN302−19.436−0.439−22.087
ATOM3179CGGLN302−18.001−0.315−21.499
ATOM3180CDGLN302−17.453−1.67−21.108
ATOM3181OE1GLN302−17.229−1.907−19.931
ATOM3182NE2GLN302−17.22−2.595−22.064
ATOM3183HAGLN302−19.5061.642−22.749
ATOM3184HGLN302−20.0491.291−20.149
ATOM3185HB1GLN302−20.047−1.101−21.455
ATOM3186HB2GLN302−19.35−0.92−23.075
ATOM3187HG1GLN302−17.330.142−22.243
ATOM3188HG2GLN302−17.9870.33−20.609
ATOM3189HE22GLN302−16.865−3.493−21.799
ATOM3190HE21GLN302−17.387−2.408−23.031
ATOM3191NARG303−22.4280.012−22.659
ATOM3192CAARG303−23.606−0.273−23.483
ATOM3193CARG303−24.8190.562−23.122
ATOM3194OARG303−25.5380.943−24.034
ATOM3195CBARG303−24.004−1.765−23.315
ATOM3196CGARG303−23.053−2.714−24.094
ATOM3197CDARG303−23.43−4.205−23.858
ATOM3198NEARG303−22.83−5.102−24.851
ATOM3199CZARG303−23.106−6.386−24.93
ATOM3200NH1ARG303−23.879−7.002−24.067
ATOM3201NH2ARG303−22.59−7.084−25.915
ATOM3202HAARG303−23.407−0.094−24.553
ATOM3203HARG303−22.427−0.261−21.694
ATOM3204HB1ARG303−24.007−2.021−22.246
ATOM3205HB2ARG303−25.026−1.914−23.704
ATOM3206HG1ARG303−23.146−2.483−25.168
ATOM3207HG2ARG303−22.006−2.541−23.793
ATOM3208HD1ARG303−23.112−4.476−22.84
ATOM3209HD2ARG303−24.526−4.292−23.936
ATOM3210HEARG303−22.19−4.681−25.544
ATOM3211HH12ARG303−24.086−8.007−24.161
ATOM3212HH11ARG303−24.279−6.516−23.252
ATOM3213HH22ARG303−22.794−8.089−26.022
ATOM3214HH21ARG303−21.973−6.647−26.616
ATOM3215NMET304−25.1070.834−21.829
ATOM3216CAMET304−26.3671.483−21.469
ATOM3217CMET304−26.0612.842−20.893
ATOM3218OMET304−26.2113.032−19.697
ATOM3219CBMET304−27.1380.542−20.505
ATOM3220CGMET304−27.379−0.836−21.177
ATOM3221SDMET304−28.293−1.912−20.03
ATOM3222CEMET304−28.665−3.338−21.1
ATOM3223HAMET304−27.0291.655−22.334
ATOM3224HMET304−24.4930.578−21.078
ATOM3225HB1MET304−26.5580.395−19.583
ATOM3226HB2MET304−28.1041−20.233
ATOM3227HG1MET304−27.96−0.704−22.102
ATOM3228HG2MET304−26.43−1.332−21.425
ATOM3229LPD1MET304−27.91−2.093−19.499
ATOM3230LPD2MET304−28.861−1.613−19.808
ATOM3231HE1MET304−27.785−3.989−21.186
ATOM3232HE2MET304−29.486−3.913−20.654
ATOM3233HE3MET304−28.964−3.005−22.104
ATOM3234NTHR305−25.6223.794−21.75
ATOM3235CATHR305−25.2485.119−21.261
ATOM3236CTHR305−26.3335.76−20.416
ATOM3237OTHR305−26.2135.709−19.202
ATOM3238CBTHR305−24.7476.028−22.423
ATOM3239OG1THR305−23.6685.336−23.075
ATOM3240CG2THR305−24.2767.416−21.911
ATOM3241HATHR305−24.3734.975−20.61
ATOM3242HTHR305−25.4763.584−22.72
ATOM3243HBTHR305−25.5486.164−23.168
ATOM3244HG1THR305−23.3015.808−23.816
ATOM3245HG23THR305−25.0977.951−21.412
ATOM3246HG21THR305−23.4477.3−21.198
ATOM3247HG22THR305−23.9248.03−22.754
ATOM3248NSER306−27.3896.38−20.996
ATOM3249CASER306−28.3547.12−20.176
ATOM3250CSER306−29.5967.406−20.998
ATOM3251OSER306−29.9658.56−21.149
ATOM3252CBSER306−27.7238.457−19.689
ATOM3253OGSER306−26.5678.222−18.865
ATOM3254HASER306−28.6556.523−19.3
ATOM3255HSER306−27.5096.392−21.988
ATOM3256HB1SER306−27.4339.054−20.569
ATOM3257HB2SER306−28.4689.023−19.105
ATOM3258HGSER306−26.159.021−18.557
ATOM3259NSER307−30.2556.374−21.572
ATOM3260CASER307−31.3116.647−22.548
ATOM3261CSER307−32.225.45−22.735
ATOM3262OSER307−31.8994.606−23.557
ATOM3263CBSER307−30.5947.004−23.878
ATOM3264OGSER307−29.6455.972−24.215
ATOM3265HASER307−31.9327.505−22.241
ATOM3266HSER307−29.9595.426−21.436
ATOM3267HB1SER307−31.3437.122−24.68
ATOM3268HB2SER307−30.0597.962−23.756
ATOM3269HGSER307−29.1746.157−25.023
ATOM3270NVAL308−33.3575.349−21.999
ATOM3271CAVAL308−34.254.2−22.162
ATOM3272CVAL308−35.694.675−22.233
ATOM3273OVAL308−36.3894.585−21.235
ATOM3274CBVAL308−34.0273.152−21.025
ATOM3275CG1VAL308−34.5291.751−21.478
ATOM3276CG2VAL308−32.5493.132−20.541
ATOM3277HAVAL308−34.0533.696−23.122
ATOM3278HVAL308−33.66.033−21.308
ATOM3279HBVAL308−34.6143.42−20.133
ATOM3280HG11VAL308−33.9891.404−22.371
ATOM3281HG12VAL308−34.3911.01−20.677
ATOM3282HG13VAL308−35.6021.797−21.724
ATOM3283HG21VAL308−32.2964.066−20.017
ATOM3284HG22VAL308−32.3762.297−19.848
ATOM3285HG23VAL308−31.8573.026−21.38
ATOM3286NALA309−36.155.186−23.403
ATOM3287CAALA309−37.5715.511−23.572
ATOM3288CALA309−38.3524.335−24.145
ATOM3289OALA309−39.344.002−23.507
ATOM3290CBALA309−37.8066.857−24.314
ATOM3291HAALA309−38.0085.707−22.576
ATOM3292HALA309−35.5365.313−24.181
ATOM3293HB1ALA309−38.8877.065−24.377
ATOM3294HB2ALA309−37.3267.673−23.751
ATOM3295HB3ALA309−37.3996.876−25.331
ATOM3296NPRO310−38.0463.637−25.275
ATOM3297CAPRO310−38.8532.473−25.634
ATOM3298CPRO310−38.6531.347−24.644
ATOM3299OPRO310−37.8481.498−23.738
ATOM3300CBPRO310−38.2712.11−27.024
ATOM3301CGPRO310−37.5343.393−27.47
ATOM3302CDPRO310−36.9293.942−26.156
ATOM3303HAPRO310−39.9162.756−25.711
ATOM3304HD2PRO310−36.6644.996−26.288
ATOM3305HD1PRO310−36.0433.361−25.852
ATOM3306HG2PRO310−38.2774.112−27.856
ATOM3307HG1PRO310−36.7773.21−28.25
ATOM3308HB1PRO310−37.5211.312−26.928
ATOM3309HB2PRO310−39.0391.78−27.743
ATOM3310NALA311−39.360.203−24.786
ATOM3311CAALA311−39.231−0.845−23.775
ATOM3312CALA311−39.84−2.168−24.188
ATOM3313OALA311−40.556−2.201−25.174
ATOM3314CBALA311−39.985−0.372−22.509
ATOM3315HAALA311−38.167−1.015−23.544
ATOM3316HB1ALA311−39.955−1.163−21.751
ATOM3317HB2ALA311−39.5340.538−22.086
ATOM3318HB3ALA311−41.038−0.163−22.756
ATOM3319HALA311−40.0130.069−25.535
ATOM3320NSER312−39.577−3.256−23.421
ATOM3321CASER312−40.21−4.547−23.696
ATOM3322CSER312−40.432−5.266−22.374
ATOM3323OSER312−39.445−5.627−21.752
ATOM3324CBSER312−39.281−5.373−24.618
ATOM3325OGSER312−39.078−4.678−25.86
ATOM3326HASER312−41.172−4.413−24.219
ATOM3327HB1SER312−38.313−5.527−24.121
ATOM3328HB2SER312−39.744−6.353−24.804
ATOM3329HGSER312−38.525−5.151−26.474
ATOM3330HSER312−38.931−3.211−22.656
ATOM3331NGLN313−41.684−5.477−21.897
ATOM3332CAGLN313−41.876−6.097−20.58
ATOM3333CGLN313−41.413−7.546−20.561
ATOM3334OGLN313−42.215−8.443−20.754
ATOM3335CBGLN313−43.321−5.946−20.011
ATOM3336CGGLN313−44.476−6.428−20.937
ATOM3337CDGLN313−45.695−6.716−20.092
ATOM3338OE1GLN313−46.601−5.899−20.048
ATOM3339NE2GLN313−45.743−7.869−19.391
ATOM3340HAGLN313−41.244−5.546−19.861
ATOM3341HB1GLN313−43.347−6.516−19.069
ATOM3342HB2GLN313−43.517−4.889−19.76
ATOM3343HG1GLN313−44.726−5.655−21.681
ATOM3344HG2GLN313−44.214−7.341−21.49
ATOM3345HE22GLN313−46.545−8.065−18.826
ATOM3346HE21GLN313−44.998−8.536−19.433
ATOM3347HGLN313−42.488−5.196−22.422
ATOM3348NARG314−40.108−7.808−20.317
ATOM3349CAARG314−39.604−9.187−20.278
ATOM3350CARG314−39.717−9.938−21.589
ATOM3351OARG314−39.477−11.135−21.578
ATOM3352CBARG314−40.136−9.993−19.057
ATOM3353CGARG314−39.696−9.325−17.723
ATOM3354CDARG314−40.109−10.157−16.474
ATOM3355NEARG314−39.675−9.487−15.244
ATOM3356CZARG314−40.067−9.824−14.036
ATOM3357NH1ARG314−40.861−10.84−13.802
ATOM3358NH2ARG314−39.641−9.117−13.018
ATOM3359HAARG314−38.519−9.164−20.124
ATOM3360HARG314−39.468−7.054−20.157
ATOM3361HB1ARG314−41.234−10.068−19.101
ATOM3362HB2ARG314−39.726−11.017−19.076
ATOM3363HG1ARG314−38.598−9.212−17.715
ATOM3364HG2ARG314−40.148−8.32−17.657
ATOM3365HD1ARG314−41.204−10.276−16.523
ATOM3366HD2ARG314−39.628−11.147−16.522
ATOM3367HEARG314−39.008−8.701−15.347
ATOM3368HH12ARG314−41.15−11.066−12.84
ATOM3369HH11ARG314−41.203−11.445−14.556
ATOM3370HH22ARG314−39.894−9.368−12.051
ATOM3371HH21ARG314−39.01−8.313−13.14
ATOM3372NSER315−40.038−9.302−22.739
ATOM3373CASER315−40.243−10.083−23.961
ATOM3374CSER315−38.95−10.448−24.668
ATOM3375OSER315−38.767−11.629−24.921
ATOM3376CBSER315−41.207−9.354−24.935
ATOM3377OGSER315−42.377−8.946−24.201
ATOM3378HASER315−40.772−11.014−23.691
ATOM3379HSER315−40.168−8.31−22.778
ATOM3380HB1SER315−40.716−8.467−25.363
ATOM3381HB2SER315−41.485−10.032−25.762
ATOM3382HGSER315−43.022−8.505−24.746
ATOM3383NILE316−38.054−9.49−25.028
ATOM3384CAILE316−36.915−9.821−25.901
ATOM3385CILE316−35.593−9.22−25.446
ATOM3386OILE316−34.682−9.987−25.172
ATOM3387CBILE316−37.21−9.415−27.382
ATOM3388CG1ILE316−38.597−9.962−27.84
ATOM3389CG2ILE316−36.076−9.913−28.326
ATOM3390CD1ILE316−38.965−9.606−29.306
ATOM3391HAILE316−36.758−10.912−25.922
ATOM3392HILE316−38.202−8.532−24.78
ATOM3393HBILE316−37.252−8.315−27.442
ATOM3394HG11ILE316−38.631−11.058−27.717
ATOM3395HG12ILE316−39.378−9.521−27.203
ATOM3396HD11ILE316−38.337−10.155−30.024
ATOM3397HD12ILE316−40.014−9.88−29.505
ATOM3398HD13ILE316−38.85−8.524−29.481
ATOM3399HG21ILE316−36.105−11.009−28.413
ATOM3400HG22ILE316−36.177−9.476−29.33
ATOM3401HG23ILE316−35.084−9.626−27.951
ATOM3402NARG317−35.425−7.875−25.382
ATOM3403CAARG317−34.08−7.299−25.233
ATOM3404CARG317−34.045−6.084−24.328
ATOM3405OARG317−33.327−6.11−23.34
ATOM3406CBARG317−33.566−6.938−26.655
ATOM3407CGARG317−32.153−6.288−26.654
ATOM3408CDARG317−31.696−5.943−28.1
ATOM3409NEARG317−30.355−5.351−28.14
ATOM3410CZARG317−29.758−4.971−29.25
ATOM3411NH1ARG317−30.315−5.087−30.432
ATOM3412NH2ARG317−28.554−4.453−29.178
ATOM3413HAARG317−33.375−8.028−24.797
ATOM3414HARG317−36.191−7.257−25.554
ATOM3415HB1ARG317−33.527−7.862−27.252
ATOM3416HB2ARG317−34.281−6.255−27.14
ATOM3417HG1ARG317−32.16−5.362−26.055
ATOM3418HG2ARG317−31.432−6.987−26.198
ATOM3419HD1ARG317−31.703−6.876−28.69
ATOM3420HD2ARG317−32.427−5.233−28.522
ATOM3421HEARG317−29.864−5.235−27.239
ATOM3422HH12ARG317−29.822−4.78−31.284
ATOM3423HH11ARG317−31.254−5.485−30.552
ATOM3424HH22ARG317−28.054−4.144−30.025
ATOM3425HH21ARG317−28.072−4.341−28.274
ATOM3426NLEU318−34.793−4.995−24.623
ATOM3427CALEU318−34.72−3.821−23.751
ATOM3428CLEU318−35.107−4.213−22.342
ATOM3429OLEU318−34.692−3.527−21.424
ATOM3430CBLEU318−35.582−2.619−24.227
ATOM3431CGLEU318−34.908−1.777−25.353
ATOM3432CD1LEU318−34.621−2.599−26.641
ATOM3433CD2LEU318−35.802−0.556−25.697
ATOM3434HALEU318−33.668−3.494−23.705
ATOM3435HLEU318−35.415−4.98−25.405
ATOM3436HB1LEU318−36.575−2.979−24.54
ATOM3437HB2LEU318−35.727−1.943−23.367
ATOM3438HGLEU318−33.945−1.387−24.979
ATOM3439HD21LEU318−35.9430.08−24.81
ATOM3440HD22LEU318−35.3350.058−26.483
ATOM3441HD23LEU318−36.786−0.899−26.049
ATOM3442HD11LEU318−35.549−3.054−27.021
ATOM3443HD12LEU318−34.209−1.948−27.427
ATOM3444HD13LEU318−33.88−3.389−26.449
ATOM3445NARG319−35.868−5.309−22.137
ATOM3446CAARG319−36.099−5.824−20.789
ATOM3447CARG319−34.894−5.694−19.882
ATOM3448OARG319−35.047−5.272−18.745
ATOM3449CBARG319−36.546−7.314−20.853
ATOM3450CGARG319−35.583−8.306−21.575
ATOM3451CDARG319−36.277−9.675−21.843
ATOM3452NEARG319−35.543−10.55−22.756
ATOM3453CZARG319−36.028−11.685−23.218
ATOM3454NH1ARG319−37.186−12.176−22.843
ATOM3455NH2ARG319−35.326−12.354−24.102
ATOM3456HAARG319−36.916−5.229−20.347
ATOM3457HARG319−36.293−5.783−22.905
ATOM3458HB1ARG319−36.73−7.664−19.824
ATOM3459HB2ARG319−37.494−7.316−21.41
ATOM3460HG1ARG319−35.281−7.894−22.548
ATOM3461HG2ARG319−34.677−8.479−20.974
ATOM3462HD1ARG319−36.444−10.187−20.881
ATOM3463HD2ARG319−37.235−9.457−22.337
ATOM3464HEARG319−34.618−10.226−23.085
ATOM3465HH12ARG319−37.546−13.051−23.251
ATOM3466HH11ARG319−37.784−11.707−22.151
ATOM3467HH22ARG319−35.666−13.245−24.492
ATOM3468HH21ARG319−34.426−11.991−24.452
ATOM3469NTHR320−33.68−6.042−20.358
ATOM3470CATHR320−32.505−5.919−19.496
ATOM3471CTHR320−32.203−4.459−19.23
ATOM3472OTHR320−31.839−4.102−18.119
ATOM3473CBTHR320−31.285−6.602−20.175
ATOM3474OG1THR320−31.694−7.934−20.537
ATOM3475CG2THR320−30.052−6.663−19.233
ATOM3476HATHR320−32.72−6.444−18.553
ATOM3477HTHR320−33.557−6.348−21.306
ATOM3478HBTHR320−31.024−6.04−21.089
ATOM3479HG1THR320−31.014−8.424−20.989
ATOM3480HG23THR320−29.741−5.661−18.905
ATOM3481HG21THR320−30.303−7.264−18.349
ATOM3482HG22THR320−29.201−7.136−19.748
ATOM3483NLYS321−32.349−3.616−20.277
ATOM3484CALYS321−32.026−2.191−20.182
ATOM3485CLYS321−33.029−1.457−19.312
ATOM3486OLYS321−32.638−0.559−18.581
ATOM3487CBLYS321−31.939−1.641−21.639
ATOM3488CGLYS321−31.273−0.248−21.783
ATOM3489CDLYS321−30.9320.05−23.275
ATOM3490CELYS321−30.5351.534−23.507
ATOM3491NZLYS321−29.9171.78−24.832
ATOM3492HALYS321−31.039−2.098−19.711
ATOM3493HLYS321−32.709−3.962−21.145
ATOM3494HB1LYS321−31.338−2.347−22.233
ATOM3495HB2LYS321−32.95−1.605−22.077
ATOM3496HG1LYS321−31.9680.499−21.386
ATOM3497HG2LYS321−30.352−0.196−21.184
ATOM3498HD1LYS321−30.099−0.602−23.583
ATOM3499HD2LYS321−31.799−0.185−23.914
ATOM3500HE1LYS321−31.4562.133−23.444
ATOM3501HE2LYS321−29.8431.864−22.712
ATOM3502HZ1LYS321−30.5631.468−25.642
ATOM3503HZ2LYS321−29.7132.834−24.982
ATOM3504HZ3LYS321−28.9751.261−24.944
ATOM3505NARG322−34.329−1.829−19.359
ATOM3506CAARG322−35.317−1.202−18.474
ATOM3507CARG322−34.89−1.402−17.037
ATOM3508OARG322−34.783−0.443−16.29
ATOM3509CBARG322−36.763−1.786−18.621
ATOM3510CGARG322−37.833−0.699−18.923
ATOM3511CDARG322−39.258−1.321−18.948
ATOM3512NEARG322−40.286−0.35−19.338
ATOM3513CZARG322−41.521−0.685−19.647
ATOM3514NH1ARG322−41.96−1.919−19.581
ATOM3515NH2ARG322−42.3540.246−20.045
ATOM3516HAARG322−35.324−0.12−18.681
ATOM3517HARG322−34.611−2.554−19.988
ATOM3518HB1ARG322−36.805−2.535−19.426
ATOM3519HB2ARG322−37.073−2.304−17.697
ATOM3520HG1ARG322−37.7970.091−18.154
ATOM3521HG2ARG322−37.615−0.243−19.904
ATOM3522HD1ARG322−39.214−2.155−19.667
ATOM3523HD2ARG322−39.501−1.715−17.947
ATOM3524HEARG322−40.0040.641−19.401
ATOM3525HH12ARG322−42.929−2.144−19.859
ATOM3526HH11ARG322−41.374−2.692−19.251
ATOM3527HH22ARG322−43.3330.011−20.292
ATOM3528HH21ARG322−42.0641.231−20.125
ATOM3529NVAL323−34.658−2.669−16.63
ATOM3530CAVAL323−34.31−2.919−15.232
ATOM3531CVAL323−33.052−2.15−14.909
ATOM3532OVAL323−32.969−1.546−13.852
ATOM3533CBVAL323−34.127−4.432−14.926
ATOM3534CG1VAL323−33.519−4.638−13.512
ATOM3535CG2VAL323−35.474−5.202−15.034
ATOM3536HAVAL323−35.119−2.543−14.587
ATOM3537HVAL323−34.71−3.434−17.277
ATOM3538HBVAL323−33.43−4.844−15.673
ATOM3539HG11VAL323−34.175−4.212−12.739
ATOM3540HG12VAL323−33.405−5.711−13.324
ATOM3541HG13VAL323−32.525−4.177−13.422
ATOM3542HG21VAL323−35.927−5.086−16.029
ATOM3543HG22VAL323−35.313−6.278−14.86
ATOM3544HG23VAL323−36.188−4.832−14.283
ATOM3545NTHR324−32.043−2.143−15.802
ATOM3546CATHR324−30.842−1.371−15.499
ATOM3547CTHR324−31.180.079−15.226
ATOM3548OTHR324−30.6230.649−14.3
ATOM3549CBTHR324−29.803−1.573−16.629
ATOM3550OG1THR324−29.569−2.995−16.706
ATOM3551CG2THR324−28.482−0.81−16.359
ATOM3552HATHR324−30.418−1.778−14.572
ATOM3553HTHR324−32.102−2.654−16.666
ATOM3554HBTHR324−30.243−1.197−17.568
ATOM3555HG1THR324−29.009−3.232−17.438
ATOM3556HG23THR324−28.660.275−16.324
ATOM3557HG21THR324−28.037−1.129−15.405
ATOM3558HG22THR324−27.771−1.021−17.172
ATOM3559NARG325−32.1020.704−15.991
ATOM3560CAARG325−32.5162.063−15.636
ATOM3561CARG325−33.1372.083−14.258
ATOM3562OARG325−32.8833.028−13.527
ATOM3563CBARG325−33.522.658−16.661
ATOM3564CGARG325−34.0294.076−16.272
ATOM3565CDARG325−34.8594.707−17.427
ATOM3566NEARG325−35.4525.998−17.071
ATOM3567CZARG325−36.2076.701−17.889
ATOM3568NH1ARG325−36.5056.306−19.106
ATOM3569NH2ARG325−36.6877.849−17.473
ATOM3570HAARG325−31.6192.706−15.625
ATOM3571HARG325−32.5410.236−16.763
ATOM3572HB1ARG325−33.0062.712−17.63
ATOM3573HB2ARG325−34.3871.988−16.769
ATOM3574HG1ARG325−34.6634.005−15.372
ATOM3575HG2ARG325−33.1734.732−16.042
ATOM3576HD1ARG325−34.1784.86−18.278
ATOM3577HD2ARG325−35.6553.994−17.698
ATOM3578HEARG325−35.2546.362−16.125
ATOM3579HH12ARG325−37.0996.882−19.719
ATOM3580HH11ARG325−36.1655.416−19.493
ATOM3581HH22ARG325−37.2828.431−18.08
ATOM3582HH21ARG325−36.4838.204−16.527
ATOM3583NTHR326−33.9571.08−13.87
ATOM3584CATHR326−34.5521.126−12.534
ATOM3585CTHR326−33.4421.08−11.51
ATOM3586OTHR326−33.41.93−10.636
ATOM3587CBTHR326−35.568−0.006−12.198
ATOM3588OG1THR326−34.89−1.271−12.099
ATOM3589CG2THR326−36.718−0.098−13.238
ATOM3590HATHR326−35.0852.087−12.44
ATOM3591HTHR326−34.1380.298−14.468
ATOM3592HBTHR326−36.0050.235−11.21
ATOM3593HG1THR326−35.464−1.984−11.839
ATOM3594HG23THR326−37.1470.895−13.416
ATOM3595HG21THR326−36.364−0.489−14.2
ATOM3596HG22THR326−37.514−0.766−12.87
ATOM3597NALA327−32.5270.09−11.603
ATOM3598CAALA327−31.430.015−10.639
ATOM3599CALA327−30.7281.35−10.518
ATOM3600OALA327−30.4891.807−9.41
ATOM3601CBALA327−30.377−1.042−11.066
ATOM3602HAALA327−31.843−0.264−9.656
ATOM3603HALA327−32.607−0.606−12.323
ATOM3604HB1ALA327−29.564−1.087−10.324
ATOM3605HB2ALA327−30.84−2.037−11.148
ATOM3606HB3ALA327−29.945−0.778−12.043
ATOM3607NILE328−30.3891.994−11.658
ATOM3608CAILE328−29.7063.287−11.581
ATOM3609CILE328−30.6344.27−10.902
ATOM3610OILE328−30.1974.987−10.015
ATOM3611CBILE328−29.2423.791−12.983
ATOM3612CG1ILE328−28.122.859−13.545
ATOM3613CG2ILE328−28.7595.269−12.901
ATOM3614CD1ILE328−27.8423.054−15.061
ATOM3615HAILE328−28.8093.176−10.95
ATOM3616HILE328−30.6381.615−12.554
ATOM3617HBILE328−30.1133.759−13.658
ATOM3618HG11ILE328−27.1873.021−12.982
ATOM3619HG12ILE328−28.4051.804−13.408
ATOM3620HD11ILE328−27.4234.048−15.273
ATOM3621HD12ILE328−27.1142.302−15.408
ATOM3622HD13ILE328−28.772.929−15.64
ATOM3623HG21ILE328−27.9245.359−12.188
ATOM3624HG22ILE328−28.4245.64−13.88
ATOM3625HG23ILE328−29.5725.933−12.57
ATOM3626NALA329−31.9274.328−11.288
ATOM3627CAALA329−32.8315.274−10.637
ATOM3628CALA329−32.825.074−9.138
ATOM3629OALA329−32.7836.059−8.416
ATOM3630CBALA329−34.2895.136−11.149
ATOM3631HAALA329−32.4776.294−10.864
ATOM3632HALA329−32.283.732−12.014
ATOM3633HB1ALA329−34.9295.898−10.677
ATOM3634HB2ALA329−34.3245.273−12.241
ATOM3635HB3ALA329−34.6944.144−10.904
ATOM3636NILE330−32.8443.817−8.637
ATOM3637CAILE330−32.8193.632−7.186
ATOM3638CILE330−31.4924.173−6.695
ATOM3639OILE330−31.4894.888−5.706
ATOM3640CBILE330−33.0522.176−6.668
ATOM3641CG1ILE330−34.3861.577−7.217
ATOM3642CG2ILE330−33.0842.163−5.108
ATOM3643CD1ILE330−34.6580.12−6.752
ATOM3644HAILE330−33.6314.245−6.762
ATOM3645HILE330−32.8213.02−9.246
ATOM3646HBILE330−32.2081.559−7.019
ATOM3647HG11ILE330−35.2312.21−6.901
ATOM3648HG12ILE330−34.371.561−8.316
ATOM3649HD11ILE330−34.9070.076−5.681
ATOM3650HD12ILE330−35.513−0.298−7.308
ATOM3651HD13ILE330−33.777−0.511−6.941
ATOM3652HG21ILE330−34.0162.618−4.739
ATOM3653HG22ILE330−33.0181.135−4.721
ATOM3654HG23ILE330−32.252.724−4.668
ATOM3655NCYS331−30.3513.871−7.36
ATOM3656CACYS331−29.0784.421−6.888
ATOM3657CCYS331−29.1755.92−6.709
ATOM3658OCYS331−28.7216.439−5.7
ATOM3659CBCYS331−27.8754.161−7.838
ATOM3660SGCYS331−27.5992.381−8.118
ATOM3661HACYS331−28.8653.967−5.911
ATOM3662HCYS331−30.3583.276−8.168
ATOM3663HB1CYS331−28.0344.653−8.809
ATOM3664HB2CYS331−26.9614.576−7.387
ATOM3665HGCYS331−26.812.447−8.743
ATOM3666LPG1CYS331−27.4432.053−7.544
ATOM3667LPG2CYS331−28.1332.083−8.411
ATOM3668NLEU332−29.7676.636−7.69
ATOM3669CALEU332−29.8618.089−7.564
ATOM3670CLEU332−30.7538.44−6.394
ATOM3671OLEU332−30.3769.276−5.587
ATOM3672CBLEU332−30.4048.777−8.849
ATOM3673CGLEU332−29.5678.519−10.141
ATOM3674CD1LEU332−30.2049.282−11.336
ATOM3675CD2LEU332−28.0758.927−9.982
ATOM3676HALEU332−28.8648.496−7.338
ATOM3677HLEU332−30.1696.178−8.487
ATOM3678HB1LEU332−31.4348.424−9.021
ATOM3679HB2LEU332−30.4479.863−8.664
ATOM3680HGLEU332−29.5927.448−10.397
ATOM3681HD21LEU332−27.5558.261−9.278
ATOM3682HD22LEU332−27.5528.855−10.948
ATOM3683HD23LEU332−27.9979.964−9.619
ATOM3684HD11LEU332−30.17310.368−11.159
ATOM3685HD12LEU332−29.6629.064−12.27
ATOM3686HD13LEU332−31.2548.978−11.473
ATOM3687NVAL333−31.9437.811−6.275
ATOM3688CAVAL333−32.828.138−5.15
ATOM3689CVAL333−32.0737.901−3.857
ATOM3690OVAL333−32.1358.734−2.965
ATOM3691CBVAL333−34.1427.311−5.163
ATOM3692CG1VAL333−34.9247.469−3.829
ATOM3693CG2VAL333−35.0537.74−6.349
ATOM3694HAVAL333−33.0779.209−5.204
ATOM3695HVAL333−32.2177.103−6.932
ATOM3696HBVAL333−33.8876.244−5.273
ATOM3697HG11VAL333−35.1268.534−3.635
ATOM3698HG12VAL333−35.8826.932−3.887
ATOM3699HG13VAL333−34.367.056−2.979
ATOM3700HG21VAL333−34.5397.634−7.315
ATOM3701HG22VAL333−35.967.118−6.379
ATOM3702HG23VAL333−35.3588.791−6.235
ATOM3703NPHE334−31.3616.763−3.732
ATOM3704CAPHE334−30.6326.493−2.496
ATOM3705CPHE334−29.6347.598−2.234
ATOM3706OPHE334−29.6088.126−1.133
ATOM3707CBPHE334−29.9035.127−2.575
ATOM3708CGPHE334−29.1334.862−1.274
ATOM3709CD1PHE334−29.6974.104−0.24
ATOM3710CD2PHE334−27.8525.397−1.108
ATOM3711CE1PHE334−29.0524.020.998
ATOM3712CE2PHE334−27.2045.3110.127
ATOM3713CZPHE334−27.8354.6771.199
ATOM3714HAPHE334−31.3556.451−1.663
ATOM3715HPHE334−31.3226.098−4.481
ATOM3716HB1PHE334−30.6414.329−2.757
ATOM3717HB2PHE334−29.2045.145−3.425
ATOM3718HD2PHE334−27.3565.888−1.937
ATOM3719HE2PHE334−26.2165.740.251
ATOM3720HZPHE334−27.384.6982.184
ATOM3721HE1PHE334−29.5033.4561.807
ATOM3722HD1PHE334−30.643.589−0.389
ATOM3723NPHE335−28.7967.972−3.229
ATOM3724CAPHE335−27.8279.038−2.98
ATOM3725CPHE335−28.55110.297−2.555
ATOM3726OPHE335−28.10910.947−1.621
ATOM3727CBPHE335−26.9569.375−4.223
ATOM3728CGPHE335−26.1998.182−4.839
ATOM3729CD1PHE335−26.0698.094−6.23
ATOM3730CD2PHE335−25.6237.178−4.049
ATOM3731CE1PHE335−25.4496.993−6.826
ATOM3732CE2PHE335−25.0436.05−4.64
ATOM3733CZPHE335−24.9345.967−6.03
ATOM3734HAPHE335−27.1818.737−2.139
ATOM3735HPHE335−28.8327.544−4.138
ATOM3736HB1PHE335−27.6259.808−4.983
ATOM3737HB2PHE335−26.20910.138−3.952
ATOM3738HD2PHE335−25.6067.261−2.971
ATOM3739HE2PHE335−24.6735.24−4.02
ATOM3740HZPHE335−24.4485.112−6.488
ATOM3741HE1PHE335−25.3666.934−7.907
ATOM3742HD1PHE335−26.4458.89−6.865
ATOM3743NVAL336−29.66610.67−3.219
ATOM3744CAVAL336−30.37311.888−2.818
ATOM3745CVAL336−30.89211.739−1.404
ATOM3746OVAL336−30.78412.674−0.627
ATOM3747CBVAL336−31.54712.226−3.786
ATOM3748CG1VAL336−32.44913.362−3.222
ATOM3749CG2VAL336−31.00512.641−5.184
ATOM3750HAVAL336−29.66312.731−2.828
ATOM3751HVAL336−30.03110.104−3.965
ATOM3752HBVAL336−32.17711.328−3.901
ATOM3753HG11VAL336−31.84614.259−3.012
ATOM3754HG12VAL336−33.23113.629−3.951
ATOM3755HG13VAL336−32.95313.051−2.294
ATOM3756HG21VAL336−30.34811.871−5.61
ATOM3757HG22VAL336−31.83912.801−5.885
ATOM3758HG23VAL336−30.43213.578−5.108
ATOM3759NCYS337−31.4810.579−1.045
ATOM3760CACYS337−32.05710.4440.292
ATOM3761CCYS337−30.99110.4821.366
ATOM3762OCYS337−31.20711.1222.384
ATOM3763CBCYS337−32.8619.1220.408
ATOM3764SGCYS337−33.6999.0512.027
ATOM3765HACYS337−32.76111.2780.455
ATOM3766HCYS337−31.549.811−1.688
ATOM3767HB1CYS337−33.6229.079−0.388
ATOM3768HB2CYS337−32.198.2550.303
ATOM3769HGCYS337−34.2178.1991.881
ATOM3770LPG1CYS337−33.2692.542
ATOM3771LPG2CYS337−34.1069.5852.129
ATOM3772NTRP338−29.8459.7881.172
ATOM3773CATRP338−28.8539.6572.247
ATOM3774CTRP338−27.65410.5732.147
ATOM3775OTRP338−27.0810.8673.186
ATOM3776CBTRP338−28.3518.1942.264
ATOM3777CGTRP338−29.4967.312.671
ATOM3778CD1TRP338−30.2816.561.885
ATOM3779CD2TRP338−29.9747.1154.086
ATOM3780NE1TRP338−31.145.9042.623
ATOM3781CE2TRP338−30.9896.1893.933
ATOM3782CE3TRP338−29.6147.6355.327
ATOM3783CZ2TRP338−31.6845.6895.032
ATOM3784CZ3TRP338−30.3297.1656.435
ATOM3785CH2TRP338−31.3526.2156.287
ATOM3786HATRP338−29.3169.8553.229
ATOM3787HTRP338−29.6849.3160.3
ATOM3788HB1TRP338−27.9587.9081.276
ATOM3789HB2TRP338−27.5428.0742.999
ATOM3790HE1TRP338−31.8435.2462.249
ATOM3791HD1TRP338−30.2016.5120.801
ATOM3792HZ2TRP338−32.4434.9234.922
ATOM3793HH2TRP338−31.8955.8757.163
ATOM3794HZ3TRP338−30.0867.5397.424
ATOM3795HE3TRP338−28.828.3675.426
ATOM3796NALA339−27.23411.040.949
ATOM3797CAALA339−26.05911.9080.891
ATOM3798CALA339−26.17313.0631.865
ATOM3799OALA339−25.17413.3342.515
ATOM3800CBALA339−25.69112.405−0.533
ATOM3801HAALA339−25.20311.2941.213
ATOM3802HALA339−27.69810.7990.094
ATOM3803HB1ALA339−24.75912.992−0.492
ATOM3804HB2ALA339−25.52911.545−1.201
ATOM3805HB3ALA339−26.47313.04−0.968
ATOM3806NPRO340−27.31813.7732.04
ATOM3807CAPRO340−27.34714.8433.025
ATOM3808CPRO340−26.89614.3894.393
ATOM3809OPRO340−26.10315.0865.007
ATOM3810CBPRO340−28.8515.2212.995
ATOM3811CGPRO340−29.27314.8611.552
ATOM3812CDPRO340−28.54813.5191.3
ATOM3813HAPRO340−26.72815.6792.659
ATOM3814HD2PRO340−28.42713.3310.225
ATOM3815HD1PRO340−29.12112.7041.766
ATOM3816HG2PRO340−28.8815.6250.861
ATOM3817HG1PRO340−30.36614.791.421
ATOM3818HB1PRO340−29.42314.5883.693
ATOM3819HB2PRO340−29.0316.2783.249
ATOM3820NTYR341−27.37713.2314.903
ATOM3821CATYR341−26.96112.8366.244
ATOM3822CTYR341−25.51112.4186.225
ATOM3823OTYR341−24.81712.757.171
ATOM3824CBTYR341−27.80311.726.921
ATOM3825CGTYR341−27.27611.548.357
ATOM3826CD1TYR341−27.32712.6089.26
ATOM3827CD2TYR341−26.7110.3338.781
ATOM3828CE1TYR341−26.53812.59210.414
ATOM3829CE2TYR341−26.00410.2839.988
ATOM3830CZTYR341−25.79811.44810.732
ATOM3831OHTYR341−24.86111.44811.769
ATOM3832HATYR341−27.04613.7376.873
ATOM3833HTYR341−27.97912.6254.379
ATOM3834HB2TYR341−28.86711.9986.954
ATOM3835HB1TYR341−27.70810.7936.334
ATOM3836HD2TYR341−26.8059.4368.177
ATOM3837HE2TYR341−25.6069.34210.348
ATOM3838HE1TYR341−26.50113.46911.051
ATOM3839HD1TYR341−27.96813.4629.068
ATOM3840HHTYR341−24.80812.26312.262
ATOM3841NTYR342−25.00711.7055.191
ATOM3842CATYR342−23.57311.4085.184
ATOM3843CTYR342−22.78812.7025.252
ATOM3844OTYR342−21.80112.765.968
ATOM3845CBTYR342−23.0810.6223.939
ATOM3846CGTYR342−23.4569.1323.991
ATOM3847CD1TYR342−24.3648.5773.083
ATOM3848CD2TYR342−22.8658.34.95
ATOM3849CE1TYR342−24.6297.2043.09
ATOM3850CE2TYR342−23.1386.9294.966
ATOM3851CZTYR342−24.0226.3734.039
ATOM3852OHTYR342−24.2895.0014.082
ATOM3853HATYR342−23.34410.826.086
ATOM3854HTYR342−25.5811.4094.421
ATOM3855HB2TYR342−23.45411.1093.026
ATOM3856HB1TYR342−21.97910.6613.904
ATOM3857HD2TYR342−22.1858.7145.687
ATOM3858HE2TYR342−22.6616.295.701
ATOM3859HE1TYR342−25.316.7922.355
ATOM3860HD1TYR342−24.879.2052.36
ATOM3861HHTYR342−24.8434.6773.38
ATOM3862NVAL343−23.18913.7654.522
ATOM3863CAVAL343−22.4315.0134.618
ATOM3864CVAL343−22.47615.5026.049
ATOM3865OVAL343−21.43115.7556.629
ATOM3866CBVAL343−22.94516.1083.635
ATOM3867CG1VAL343−22.31117.4943.946
ATOM3868CG2VAL343−22.63815.712.162
ATOM3869HAVAL343−21.37614.8054.368
ATOM3870HVAL343−24.00813.7183.944
ATOM3871HBVAL343−24.03816.2063.751
ATOM3872HG11VAL343−21.21217.4273.916
ATOM3873HG12VAL343−22.63718.2393.204
ATOM3874HG13VAL343−22.61317.8574.94
ATOM3875HG21VAL343−23.0614.7251.916
ATOM3876HG22VAL343−23.0716.4481.469
ATOM3877HG23VAL343−21.55115.6691.995
ATOM3878NLEU344−23.6815.6486.646
ATOM3879CALEU344−23.74416.1828.007
ATOM3880CLEU344−22.95915.38.957
ATOM3881OLEU344−22.23415.8179.796
ATOM3882CBLEU344−25.19316.2998.55
ATOM3883CGLEU344−26.12217.2927.787
ATOM3884CD1LEU344−27.53517.2368.426
ATOM3885CD2LEU344−25.61118.767.815
ATOM3886HALEU344−23.2817.1788.003
ATOM3887HLEU344−24.52315.396.167
ATOM3888HB1LEU344−25.63415.298.53
ATOM3889HB2LEU344−25.14916.6259.598
ATOM3890HGLEU344−26.21416.986.735
ATOM3891HD21LEU344−24.67518.8787.251
ATOM3892HD22LEU344−26.35519.4287.354
ATOM3893HD23LEU344−25.4519.0868.855
ATOM3894HD11LEU344−27.52617.6919.428
ATOM3895HD12LEU344−28.26217.777.798
ATOM3896HD13LEU344−27.86316.1928.52
ATOM3897NGLN345−23.09913.9628.834
ATOM3898CAGLN345−22.32413.0399.664
ATOM3899CGLN345−20.85913.4039.588
ATOM3900OGLN345−20.20613.52510.614
ATOM3901CBGLN345−22.48511.5869.125
ATOM3902CGGLN345−21.64810.5199.877
ATOM3903CDGLN345−21.5549.2749.021
ATOM3904OE1GLN345−20.5489.0818.356
ATOM3905NE2GLN345−22.5868.4088.991
ATOM3906HAGLN345−22.67713.09210.707
ATOM3907HGLN345−23.72613.5868.152
ATOM3908HB1GLN345−23.54611.2949.141
ATOM3909HB2GLN345−22.15411.5688.079
ATOM3910HG1GLN345−20.62410.87510.069
ATOM3911HG2GLN345−22.11810.30510.848
ATOM3912HE22GLN345−22.5257.5938.416
ATOM3913HE21GLN345−23.4028.5569.545
ATOM3914NLEU346−20.32213.5598.359
ATOM3915CALEU346−18.88513.7768.223
ATOM3916CLEU346−18.50815.1438.745
ATOM3917OLEU346−17.41315.279.27
ATOM3918CBLEU346−18.41413.5726.757
ATOM3919CGLEU346−18.58312.1016.256
ATOM3920CD1LEU346−18.50712.0614.705
ATOM3921CD2LEU346−17.52211.1346.857
ATOM3922HALEU346−18.36413.0458.859
ATOM3923HLEU346−20.89213.5397.531
ATOM3924HB1LEU346−19.00414.2616.131
ATOM3925HB2LEU346−17.35613.8636.665
ATOM3926HGLEU346−19.57511.7166.547
ATOM3927HD21LEU346−17.61511.0457.949
ATOM3928HD22LEU346−17.64710.1246.436
ATOM3929HD23LEU346−16.50511.4826.62
ATOM3930HD11LEU346−17.53212.4374.359
ATOM3931HD12LEU346−18.63611.0324.339
ATOM3932HD13LEU346−19.30312.684.26
ATOM3933NTHR347−19.36716.1848.65
ATOM3934CATHR347−18.99217.4499.285
ATOM3935CTHR347−18.78417.18710.759
ATOM3936OTHR347−17.80717.67311.305
ATOM3937CBTHR347−19.99218.6399.17
ATOM3938OG1THR347−21.17718.4359.953
ATOM3939CG2THR347−20.34718.9957.702
ATOM3940HATHR347−18.03717.7768.839
ATOM3941HTHR347−20.25816.0918.2
ATOM3942HBTHR347−19.50719.5249.619
ATOM3943HG1THR347−21.66717.6729.673
ATOM3944HG23THR347−19.43319.1857.12
ATOM3945HG21THR347−20.91218.1877.218
ATOM3946HG22THR347−20.97119.9027.684
ATOM3947NGLN348−19.67616.42211.432
ATOM3948CAGLN348−19.49216.2112.867
ATOM3949CGLN348−18.18515.48713.104
ATOM3950OGLN348−17.48715.83614.042
ATOM3951CBGLN348−20.67315.43913.526
ATOM3952CGGLN348−20.60915.51615.077
ATOM3953CDGLN348−21.76114.85215.787
ATOM3954OE1GLN348−21.52413.93316.555
ATOM3955NE2GLN348−23.01815.29715.574
ATOM3956HAGLN348−19.43117.20913.33
ATOM3957HGLN348−20.45315.98910.968
ATOM3958HB1GLN348−21.61115.90213.19
ATOM3959HB2GLN348−20.67214.38813.195
ATOM3960HG1GLN348−19.66415.06715.421
ATOM3961HG2GLN348−20.63616.56515.398
ATOM3962HE22GLN348−23.78314.85616.045
ATOM3963HE21GLN348−23.21516.06314.965
ATOM3964NLEU349−17.81814.48312.274
ATOM3965CALEU349−16.50813.85212.451
ATOM3966CLEU349−15.42814.90312.332
ATOM3967OLEU349−14.57314.98813.2
ATOM3968CBLEU349−16.22412.74911.391
ATOM3969CGLEU349−14.78112.15611.455
ATOM3970CD1LEU349−14.52611.41712.797
ATOM3971CD2LEU349−14.53211.19510.259
ATOM3972HALEU349−16.4813.40613.458
ATOM3973HLEU349−18.41714.18311.526
ATOM3974HB1LEU349−16.96611.94511.513
ATOM3975HB2LEU349−16.36513.18210.39
ATOM3976HGLEU349−14.03612.96411.355
ATOM3977HD21LEU349−14.69411.7129.3
ATOM3978HD22LEU349−13.49910.81310.272
ATOM3979HD23LEU349−15.21610.34110.313
ATOM3980HD11LEU349−15.34510.71813.019
ATOM3981HD12LEU349−13.58810.84512.741
ATOM3982HD13LEU349−14.44612.13113.63
ATOM3983NSER350−15.43915.70511.245
ATOM3984CASER350−14.36816.67911.05
ATOM3985CSER350−14.32217.68212.18
ATOM3986OSER350−13.23618.05312.597
ATOM3987CBSER350−14.56717.4429.716
ATOM3988OGSER350−14.57816.4868.641
ATOM3989HASER350−13.40716.1411
ATOM3990HSER350−16.16215.63410.551
ATOM3991HB1SER350−15.52417.9879.746
ATOM3992HB2SER350−13.74818.1699.576
ATOM3993HGSER350−14.71716.8877.788
ATOM3994NILE351−15.49218.13912.677
ATOM3995CAILE351−15.52319.17413.709
ATOM3996CILE351−16.6818.87714.644
ATOM3997OILE351−17.75719.41514.449
ATOM3998CBILE351−15.61520.59313.057
ATOM3999CG1ILE351−16.620.62111.846
ATOM4000CG2ILE351−14.20821.09812.62
ATOM4001CD1ILE351−17.06722.04811.448
ATOM4002HAILE351−14.62219.13514.342
ATOM4003HILE351−16.36817.80612.319
ATOM4004HBILE351−15.9821.28313.837
ATOM4005HG11ILE351−16.13720.13610.972
ATOM4006HG12ILE351−17.50320.0512.09
ATOM4007HD11ILE351−16.23122.65911.079
ATOM4008HD12ILE351−17.81921.98310.646
ATOM4009HD13ILE351−17.52622.55612.311
ATOM4010HG21ILE351−13.80920.47611.805
ATOM4011HG22ILE351−14.2522.13912.27
ATOM4012HG23ILE351−13.521.06513.462
ATOM4013NSER352−16.50718.01915.677
ATOM4014CASER352−17.63817.72816.559
ATOM4015CSER352−18.2361917.121
ATOM4016OSER352−17.52919.9917.206
ATOM4017CBSER352−17.29416.76217.722
ATOM4018OGSER352−18.46516.418.482
ATOM4019HASER352−18.39817.24215.935
ATOM4020HSER352−15.63517.55215.831
ATOM4021HB1SER352−16.80215.85517.331
ATOM4022HB2SER352−16.58917.26818.401
ATOM4023HGSER352−19.0815.87217.982
ATOM4024NARG353−19.53618.99917.499
ATOM4025CAARG353−20.19120.24617.899
ATOM4026CARG353−20.07921.27416.789
ATOM4027OARG353−19.59622.36317.056
ATOM4028CBARG353−19.62520.73819.264
ATOM4029CGARG353−19.49619.60220.32
ATOM4030CDARG353−20.84418.89520.638
ATOM4031NEARG353−20.69617.87921.684
ATOM4032CZARG353−21.67817.10522.094
ATOM4033NH1ARG353−22.89217.17621.602
ATOM4034NH2ARG353−21.4416.22323.036
ATOM4035HAARG353−21.27420.0918.033
ATOM4036HARG353−20.07618.15617.483
ATOM4037HB1ARG353−18.6221.16519.115
ATOM4038HB2ARG353−20.26821.54319.656
ATOM4039HG1ARG353−18.76918.8519.971
ATOM4040HG2ARG353−19.10220.04121.252
ATOM4041HD1ARG353−21.5719.66220.958
ATOM4042HD2ARG353−21.20118.40719.72
ATOM4043HEARG353−19.75917.77222.11
ATOM4044HH12ARG353−23.64116.55621.942
ATOM4045HH11ARG353−23.13917.84720.866
ATOM4046HH22ARG353−22.18415.60223.386
ATOM4047HH21ARG353−20.50416.13123.458
ATOM4048NPRO354−20.520.9915.53
ATOM4049CAPRO354−20.28621.95314.456
ATOM4050CPRO354−21.3423.0414.451
ATOM4051OPRO354−22.25322.98815.259
ATOM4052CBPRO354−20.46620.99913.252
ATOM4053CGPRO354−21.5820.0413.728
ATOM4054CDPRO354−21.12619.72415.171
ATOM4055HAPRO354−19.27422.38914.477
ATOM4056HD2PRO354−20.36418.93415.135
ATOM4057HD1PRO354−21.97319.42515.81
ATOM4058HG2PRO354−21.68219.14213.096
ATOM4059HG1PRO354−22.54320.57613.749
ATOM4060HB1PRO354−20.66821.51412.308
ATOM4061HB2PRO354−19.55920.40113.111
ATOM4062NTHR355−21.22124.03313.536
ATOM4063CATHR355−22.14525.17113.517
ATOM4064CTHR355−22.79125.26812.15
ATOM4065OTHR355−22.12225.7111.231
ATOM4066CBTHR355−21.33426.45713.839
ATOM4067OG1THR355−20.7326.27915.134
ATOM4068CG2THR355−22.24127.71713.845
ATOM4069HATHR355−22.92225.08714.293
ATOM4070HTHR355−20.47324.03212.869
ATOM4071HBTHR355−20.53926.58113.082
ATOM4072HG1THR355−20.1827.01115.397
ATOM4073HG23THR355−22.71927.86512.864
ATOM4074HG21THR355−23.02427.61514.61
ATOM4075HG22THR355−21.64228.61214.074
ATOM4076NLEU356−24.07524.87311.976
ATOM4077CALEU356−24.70324.95310.655
ATOM4078CLEU356−26.20424.79310.778
ATOM4079OLEU356−26.73723.8110.295
ATOM4080CBLEU356−24.09123.989.598
ATOM4081CGLEU356−24.03922.4589.954
ATOM4082CD1LEU356−23.50721.6678.723
ATOM4083CD2LEU356−23.12222.16311.169
ATOM4084HALEU356−24.55825.97710.267
ATOM4085HLEU356−24.61724.51812.739
ATOM4086HB1LEU356−24.67624.0998.671
ATOM4087HB2LEU356−23.06524.3089.37
ATOM4088HGLEU356−25.0422.06810.195
ATOM4089HD21LEU356−23.58222.45812.12
ATOM4090HD22LEU356−22.90921.08511.237
ATOM4091HD23LEU356−22.17722.70811.037
ATOM4092HD11LEU356−22.522.0188.449
ATOM4093HD12LEU356−23.44420.598.94
ATOM4094HD13LEU356−24.17121.87.855
ATOM4095NTHR357−26.92125.74511.421
ATOM4096CATHR357−28.37625.59711.55
ATOM4097CTHR357−28.6524.20312.086
ATOM4098OTHR357−29.46623.45711.569
ATOM4099CBTHR357−28.98825.98710.175
ATOM4100OG1THR357−28.49927.3069.867
ATOM4101CG2THR357−30.53826.00210.183
ATOM4102HATHR357−28.76426.30612.3
ATOM4103HBTHR357−28.62925.2869.404
ATOM4104HG1THR357−28.77627.6229.012
ATOM4105HG23THR357−30.92924.99610.373
ATOM4106HG21THR357−30.91226.68610.96
ATOM4107HG22THR357−30.92126.3359.206
ATOM4108HTHR357−26.48326.56811.79
ATOM4109NPHE358−27.89423.84113.148
ATOM4110CAPHE358−27.77922.4413.548
ATOM4111CPHE358−29.10221.72513.739
ATOM4112OPHE358−29.35920.76413.031
ATOM4113CBPHE358−26.90622.33614.831
ATOM4114CGPHE358−26.84620.89415.348
ATOM4115CD1PHE358−25.85120.01614.902
ATOM4116CD2PHE358−27.78820.44716.279
ATOM4117CE1PHE358−25.83318.6915.344
ATOM4118CE2PHE358−27.79819.11416.69
ATOM4119CZPHE358−26.81518.23516.228
ATOM4120HAPHE358−27.23221.91912.743
ATOM4121HB1PHE358−25.88322.69214.62
ATOM4122HB2PHE358−27.31822.98615.619
ATOM4123HD2PHE358−28.51921.13216.69
ATOM4124HE2PHE358−28.57118.76817.368
ATOM4125HZPHE358−26.81617.20316.557
ATOM4126HE1PHE358−25.05818.01214.999
ATOM4127HD1PHE358−25.09120.36314.212
ATOM4128HPHE358−27.29424.51213.589
ATOM4129NVAL359−29.95922.13514.701
ATOM4130CAVAL359−31.11521.29615.025
ATOM4131CVAL359−31.95121.01713.798
ATOM4132OVAL359−32.40819.89413.648
ATOM4133CBVAL359−32.04221.82216.166
ATOM4134CG1VAL359−31.29821.89917.53
ATOM4135CG2VAL359−32.7123.18415.827
ATOM4136HAVAL359−30.71420.32315.359
ATOM4137HVAL359−29.77422.96115.231
ATOM4138HBVAL359−32.85521.08416.296
ATOM4139HG11VAL359−30.522.65617.507
ATOM4140HG12VAL359−32.00222.1718.332
ATOM4141HG13VAL359−30.85520.92417.785
ATOM4142HG21VAL359−33.36323.09514.946
ATOM4143HG22VAL359−33.33623.51916.669
ATOM4144HG23VAL359−31.95523.95915.631
ATOM4145NTYR360−32.1822.00912.908
ATOM4146CATYR360−33.07621.75911.784
ATOM4147CTYR360−32.39120.93610.721
ATOM4148OTYR360−33.03220.03310.208
ATOM4149CBTYR360−33.6523.05311.157
ATOM4150CGTYR360−34.61422.67410.022
ATOM4151CD1TYR360−35.88222.16710.322
ATOM4152CD2TYR360−34.23622.8198.683
ATOM4153CE1TYR360−36.7421.759.3
ATOM4154CE2TYR360−35.09122.3997.66
ATOM4155CZTYR360−36.34121.8537.961
ATOM4156OHTYR360−37.16621.4216.918
ATOM4157HATYR360−33.94521.19212.158
ATOM4158HTYR360−31.74422.90712.996
ATOM4159HB2TYR360−34.18623.63811.921
ATOM4160HB1TYR360−32.82623.66910.776
ATOM4161HD2TYR360−33.27823.2558.429
ATOM4162HE2TYR360−34.78422.4946.624
ATOM4163HE1TYR360−37.71421.3469.555
ATOM4164HD1TYR360−36.20822.09111.355
ATOM4165HHTYR360−37.97721.0147.202
ATOM4166NLEU361−31.11621.19510.35
ATOM4167CALEU361−30.50820.3569.315
ATOM4168CLEU361−30.43118.9289.811
ATOM4169OLEU361−30.75118.0189.061
ATOM4170CBLEU361−29.0820.7788.867
ATOM4171CGLEU361−28.9422.2288.317
ATOM4172CD1LEU361−27.52422.4217.704
ATOM4173CD2LEU361−30.01422.5867.255
ATOM4174HALEU361−31.16620.3568.43
ATOM4175HLEU361−30.57621.9210.786
ATOM4176HB1LEU361−28.38620.6479.714
ATOM4177HB2LEU361−28.77120.0928.065
ATOM4178HGLEU361−29.04922.9269.159
ATOM4179HD21LEU361−31.01522.6147.706
ATOM4180HD22LEU361−29.81323.5836.831
ATOM4181HD23LEU361−30.00921.8496.439
ATOM4182HD11LEU361−27.4221.8366.778
ATOM4183HD12LEU361−27.34323.4827.468
ATOM4184HD13LEU361−26.74922.0868.407
ATOM4185NTYR362−30.00718.70211.074
ATOM4186CATYR362−29.91917.32811.566
ATOM4187CTYR362−31.31716.75711.679
ATOM4188OTYR362−31.54615.6811.153
ATOM4189CBTYR362−29.11417.20912.891
ATOM4190CGTYR362−27.59717.24312.616
ATOM4191CD1TYR362−26.93918.44612.334
ATOM4192CD2TYR362−26.84516.06112.637
ATOM4193CE1TYR362−25.56718.4712.064
ATOM4194CE2TYR362−25.46516.08412.411
ATOM4195CZTYR362−24.82217.2912.111
ATOM4196OHTYR362−23.45217.33211.852
ATOM4197HATYR362−29.38616.71210.823
ATOM4198HTYR362−29.79819.46511.692
ATOM4199HB2TYR362−29.37316.25113.37
ATOM4200HB1TYR362−29.39318.01213.591
ATOM4201HD2TYR362−27.33115.11212.829
ATOM4202HE2TYR362−24.89215.16512.464
ATOM4203HE1TYR362−25.07519.40411.815
ATOM4204HD1TYR362−27.48319.37712.321
ATOM4205HHTYR362−23.14616.56211.384
ATOM4206NASN363−32.28517.43612.334
ATOM4207CAASN363−33.64216.8812.392
ATOM4208CASN363−34.14516.57210.997
ATOM4209OASN363−34.62215.47610.747
ATOM4210CBASN363−34.64517.86213.057
ATOM4211CGASN363−36.06217.33713.055
ATOM4212OD1ASN363−36.26116.13812.95
ATOM4213ND2ASN363−37.08518.20913.181
ATOM4214HAASN363−33.62115.94912.982
ATOM4215HASN363−32.09118.32112.765
ATOM4216HB1ASN363−34.34618.0514.099
ATOM4217HB2ASN363−34.62118.81712.513
ATOM4218HD22ASN363−38.02317.86313.161
ATOM4219HD21ASN363−36.92919.19113.289
ATOM4220NALA364−34.05117.54410.063
ATOM4221CAALA364−34.58617.3268.722
ATOM4222CALA364−33.89116.1598.064
ATOM4223OALA364−34.55915.3267.474
ATOM4224CBALA364−34.41418.5857.833
ATOM4225HAALA364−35.66417.1058.808
ATOM4226HALA364−33.61618.42110.274
ATOM4227HB1ALA364−34.84518.4116.834
ATOM4228HB2ALA364−34.92919.4428.293
ATOM4229HB3ALA364−33.34818.8367.718
ATOM4230NALA365−32.54616.0768.146
ATOM4231CAALA365−31.85214.9537.516
ATOM4232CALA365−32.2313.6458.175
ATOM4233OALA365−32.39812.6587.477
ATOM4234CBALA365−30.31915.1277.615
ATOM4235HAALA365−32.12214.9266.448
ATOM4236HALA365−32.01416.7678.644
ATOM4237HB1ALA365−29.80114.37.108
ATOM4238HB2ALA365−30.02416.0727.136
ATOM4239HB3ALA365−30.02415.1428.675
ATOM4240NILE366−32.36813.6139.52
ATOM4241CAILE366−32.77712.37310.185
ATOM4242CILE366−34.1411.9979.647
ATOM4243OILE366−34.3410.8649.235
ATOM4244CBILE366−32.82312.52811.74
ATOM4245CG1ILE366−31.38712.72812.32
ATOM4246CG2ILE366−33.51611.312.4
ATOM4247CD1ILE366−31.37413.32613.754
ATOM4248HAILE366−32.06311.5729.932
ATOM4249HILE366−32.24114.44510.065
ATOM4250HBILE366−33.4313.41711.973
ATOM4251HG11ILE366−30.87111.7612.317
ATOM4252HG12ILE366−30.79713.39811.678
ATOM4253HD11ILE366−31.79512.62814.491
ATOM4254HD12ILE366−30.34513.5614.066
ATOM4255HD13ILE366−31.95314.2613.781
ATOM4256HG21ILE366−32.94810.38312.183
ATOM4257HG22ILE366−33.57911.42413.489
ATOM4258HG23ILE366−34.54411.1712.03
ATOM4259NSER367−35.10212.9459.649
ATOM4260CASER367−36.44312.6189.17
ATOM4261CSER367−36.38812.2217.709
ATOM4262OSER367−37.07111.2867.322
ATOM4263CBSER367−37.42613.8069.35
ATOM4264OGSER367−37.66814.11110.738
ATOM4265HASER367−36.83111.7679.756
ATOM4266HSER367−34.90313.8799.958
ATOM4267HB1SER367−37.05314.6968.816
ATOM4268HB2SER367−38.40113.5318.917
ATOM4269HGSER367−36.89814.42211.206
ATOM4270NLEU368−35.58412.9116.87
ATOM4271CALEU368−35.50412.5295.46
ATOM4272CLEU368−34.98611.1145.355
ATOM4273OLEU368−35.57210.3274.63
ATOM4274CBLEU368−34.57713.4764.648
ATOM4275CGLEU368−34.37113.0673.157
ATOM4276CD1LEU368−35.70513.0582.358
ATOM4277CD2LEU368−33.3614.0382.482
ATOM4278HALEU368−36.52512.585.05
ATOM4279HLEU368−35.03113.6787.2
ATOM4280HB1LEU368−34.98314.4994.701
ATOM4281HB2LEU368−33.59113.4775.137
ATOM4282HGLEU368−33.93312.0553.111
ATOM4283HD21LEU368−32.39814.0263.017
ATOM4284HD22LEU368−33.17313.7431.438
ATOM4285HD23LEU368−33.75315.0662.49
ATOM4286HD11LEU368−36.2114.0322.444
ATOM4287HD12LEU368−35.51212.8581.293
ATOM4288HD13LEU368−36.38512.2742.721
ATOM4289NGLY369−33.89410.766.07
ATOM4290CAGLY369−33.3939.3895.989
ATOM4291CGLY369−34.5058.3956.225
ATOM4292OGLY369−34.5497.3795.55
ATOM4293HA2GLY369−32.6199.2036.751
ATOM4294HA1GLY369−32.9459.2244.996
ATOM4295HGLY369−33.41911.4166.663
ATOM4296NTYR370−35.4198.6677.183
ATOM4297CATYR370−36.4977.7137.452
ATOM4298CTYR370−37.3857.5516.233
ATOM4299OTYR370−37.8856.4586.015
ATOM4300CBTYR370−37.3628.1618.662
ATOM4301CGTYR370−36.6318.22210.018
ATOM4302CD1TYR370−37.3988.49911.156
ATOM4303CD2TYR370−35.2568.00510.18
ATOM4304CE1TYR370−36.8218.50812.429
ATOM4305CE2TYR370−34.6678.06511.447
ATOM4306CZTYR370−35.4418.3312.578
ATOM4307OHTYR370−34.8238.41513.831
ATOM4308HATYR370−36.0626.7257.68
ATOM4309HTYR370−35.3729.5187.715
ATOM4310HB2TYR370−37.7879.1548.458
ATOM4311HB1TYR370−38.1997.4538.767
ATOM4312HD2TYR370−34.6157.7829.338
ATOM4313HE2TYR370−33.5997.90211.555
ATOM4314HE1TYR370−37.4558.65113.298
ATOM4315HD1TYR370−38.4598.70611.054
ATOM4316HHTYR370−35.4218.63614.535
ATOM4317NALA371−37.5938.6165.421
ATOM4318CAALA371−38.4048.4694.209
ATOM4319CALA371−37.9577.2743.399
ATOM4320OALA371−38.8146.6272.818
ATOM4321CBALA371−38.3289.7153.288
ATOM4322HAALA371−39.4538.3194.512
ATOM4323HALA371−37.1929.5125.627
ATOM4324HB1ALA371−39.0289.6042.444
ATOM4325HB2ALA371−38.59610.6243.849
ATOM4326HB3ALA371−37.3139.832.88
ATOM4327NASN372−36.6356.9763.366
ATOM4328CAASN372−36.1325.782.682
ATOM4329CASN372−37.1164.632.713
ATOM4330OASN372−37.3724.0181.687
ATOM4331CBASN372−34.8175.3143.367
ATOM4332CGASN372−34.2454.0712.731
ATOM4333OD1ASN372−33.3334.1891.928
ATOM4334ND2ASN372−34.752.8663.069
ATOM4335HAASN372−35.9026.0311.636
ATOM4336HASN372−35.9747.583.82
ATOM4337HB1ASN372−34.0686.1183.303
ATOM4338HB2ASN372−35.0025.1144.433
ATOM4339HD22ASN372−34.3872.0412.643
ATOM4340HD21ASN372−35.482.7663.744
ATOM4341NSER373−37.6764.3273.905
ATOM4342CASER373−38.5413.1524.045
ATOM4343CSER373−39.8113.1583.222
ATOM4344OSER373−40.4842.1393.225
ATOM4345CBSER373−38.8922.9035.537
ATOM4346OGSER373−39.7513.9286.07
ATOM4347HASER373−37.9652.2853.688
ATOM4348HSER373−37.4684.8844.712
ATOM4349HB1SER373−39.4331.9515.649
ATOM4350HB2SER373−37.9562.836.115
ATOM4351HGSER373−39.354.7916.074
ATOM4352NCYS374−40.1784.2472.508
ATOM4353CACYS374−41.3584.2091.642
ATOM4354CCYS374−41.0094.5720.211
ATOM4355OCYS374−41.8955.004−0.508
ATOM4356CBCYS374−42.3955.1832.256
ATOM4357SGCYS374−44.0085.0211.42
ATOM4358HACYS374−41.8173.2081.588
ATOM4359HCYS374−39.6625.1042.55
ATOM4360HB1CYS374−42.544.9513.323
ATOM4361HB2CYS374−42.0186.2152.166
ATOM4362HGCYS374−44.4025.8991.717
ATOM4363LPG1CYS374−43.9464.9810.745
ATOM4364LPG2CYS374−44.3634.4891.646
ATOM4365NLEU375−39.7414.415−0.241
ATOM4366CALEU375−39.3824.809−1.608
ATOM4367CLEU375−39.2463.611−2.527
ATOM4368OLEU375−39.7333.667−3.646
ATOM4369CBLEU375−38.0595.626−1.611
ATOM4370CGLEU375−38.0426.796−0.58
ATOM4371CD1LEU375−36.7247.612−0.702
ATOM4372CD2LEU375−39.267.75−0.725
ATOM4373HALEU375−40.1535.456−2.057
ATOM4374HLEU375−39.0244.0380.351
ATOM4375HB1LEU375−37.2244.945−1.378
ATOM4376HB2LEU375−37.8956.026−2.625
ATOM4377HGLEU375−38.0766.3620.431
ATOM4378HD21LEU375−40.2017.246−0.458
ATOM4379HD22LEU375−39.1488.614−0.053
ATOM4380HD23LEU375−39.3358.119−1.76
ATOM4381HD11LEU375−36.7178.173−1.648
ATOM4382HD12LEU375−36.6378.3310.128
ATOM4383HD13LEU375−35.8446.952−0.681
ATOM4384NASN376−38.5842.509−2.104
ATOM4385CAASN376−38.3661.403−3.035
ATOM4386CASN376−39.6660.89−3.623
ATOM4387OASN376−39.6820.68−4.827
ATOM4388CBASN376−37.5190.233−2.46
ATOM4389CGASN376−36.2940.784−1.769
ATOM4390OD1ASN376−35.4181.273−2.464
ATOM4391ND2ASN376−36.1890.741−0.421
ATOM4392HAASN376−37.7711.828−3.863
ATOM4393HASN376−38.1962.453−1.184
ATOM4394HB1ASN376−38.094−0.397−1.769
ATOM4395HB2ASN376−37.207−0.417−3.294
ATOM4396HD22ASN376−35.3691.120.01
ATOM4397HD21ASN376−36.8960.3470.175
ATOM4398NPRO377−40.780.677−2.873
ATOM4399CAPRO377−42.0130.261−3.53
ATOM4400CPRO377−42.4381.216−4.62
ATOM4401OPRO377−42.9050.773−5.657
ATOM4402CBPRO377−43.0030.321−2.337
ATOM4403CGPRO377−42.1010.051−1.114
ATOM4404CDPRO377−40.8340.883−1.428
ATOM4405HAPRO377−41.896−0.766−3.911
ATOM4406HD2PRO377−39.9790.515−0.846
ATOM4407HD1PRO377−41.0131.945−1.197
ATOM4408HG2PRO377−41.844−1.022−1.095
ATOM4409HG1PRO377−42.5740.326−0.156
ATOM4410HB1PRO377−43.4231.335−2.23
ATOM4411HB2PRO377−43.84−0.388−2.431
ATOM4412NPHE378−42.2882.539−4.392
ATOM4413CAPHE378−42.7483.508−5.383
ATOM4414CPHE378−41.9523.358−6.657
ATOM4415OPHE378−42.5443.289−7.721
ATOM4416CBPHE378−42.6114.953−4.835
ATOM4417CGPHE378−43.1555.989−5.826
ATOM4418CD1PHE378−44.5276.267−5.864
ATOM4419CD2PHE378−42.2916.676−6.685
ATOM4420CE1PHE378−45.0157.293−6.678
ATOM4421CE2PHE378−42.7757.711−7.491
ATOM4422CZPHE378−44.1358.035−7.471
ATOM4423HAPHE378−43.8133.317−5.598
ATOM4424HPHE378−41.8542.873−3.552
ATOM4425HB1PHE378−43.175.038−3.889
ATOM4426HB2PHE378−41.5575.18−4.613
ATOM4427HD2PHE378−41.2386.413−6.728
ATOM4428HE2PHE378−42.0968.263−8.132
ATOM4429HZPHE378−44.5088.855−8.076
ATOM4430HE1PHE378−46.0787.514−6.694
ATOM4431HD1PHE378−45.2175.69−5.258
ATOM4432NVAL379−40.6043.302−6.583
ATOM4433CAVAL379−39.833.192−7.82
ATOM4434CVAL379−40.181.876−8.484
ATOM4435OVAL379−40.4491.852−9.677
ATOM4436CBVAL379−38.2893.291−7.596
ATOM4437CG1VAL379−37.5313.116−8.944
ATOM4438CG2VAL379−37.8874.654−6.962
ATOM4439HAVAL379−40.134.014−8.492
ATOM4440HVAL379−40.143.295−5.694
ATOM4441HBVAL379−37.9762.484−6.91
ATOM4442HG11VAL379−37.8773.874−9.662
ATOM4443HG12VAL379−36.4463.243−8.812
ATOM4444HG13VAL379−37.7032.116−9.37
ATOM4445HG21VAL379−38.3624.81−5.983
ATOM4446HG22VAL379−36.7964.691−6.812
ATOM4447HG23VAL379−38.1765.485−7.623
ATOM4448NTYR380−40.1730.764−7.715
ATOM4449CATYR380−40.447−0.544−8.312
ATOM4450CTYR380−41.803−0.562−8.978
ATOM4451OTYR380−41.905−0.973−10.123
ATOM4452CBTYR380−40.401−1.647−7.217
ATOM4453CGTYR380−40.696−3.086−7.684
ATOM4454CD1TYR380−40.091−3.625−8.826
ATOM4455CD2TYR380−41.554−3.903−6.934
ATOM4456CE1TYR380−40.194−4.992−9.108
ATOM4457CE2TYR380−41.642−5.272−7.203
ATOM4458CZTYR380−40.955−5.827−8.285
ATOM4459OHTYR380−41.045−7.201−8.524
ATOM4460HATYR380−39.668−0.723−9.069
ATOM4461HTYR380−39.9640.823−6.734
ATOM4462HB2TYR380−39.392−1.658−6.774
ATOM4463HB1TYR380−41.105−1.367−6.418
ATOM4464HD2TYR380−42.146−3.488−6.126
ATOM4465HE2TYR380−42.244−5.915−6.57
ATOM4466HE1TYR380−39.671−5.4−9.965
ATOM4467HD1TYR380−39.514−3.001−9.496
ATOM4468HHTYR380−40.353−7.537−9.089
ATOM4469NILE381−42.863−0.121−8.268
ATOM4470CAILE381−44.208−0.188−8.839
ATOM4471CILE381−44.3220.781−9.99
ATOM4472OILE381−44.8590.41−11.021
ATOM4473CBILE381−45.3020.096−7.763
ATOM4474CG1ILE381−45.334−1.073−6.731
ATOM4475CG2ILE381−46.6980.287−8.427
ATOM4476CD1ILE381−46.045−0.72−5.397
ATOM4477HAILE381−44.378−1.203−9.236
ATOM4478HILE381−42.7360.276−7.355
ATOM4479HBILE381−45.0461.038−7.249
ATOM4480HG11ILE381−45.839−1.932−7.199
ATOM4481HG12ILE381−44.309−1.387−6.475
ATOM4482HD11ILE381−47.105−0.473−5.548
ATOM4483HD12ILE381−45.995−1.579−4.709
ATOM4484HD13ILE381−45.5480.137−4.915
ATOM4485HG21ILE381−46.957−0.601−9.023
ATOM4486HG22ILE381−47.4850.443−7.676
ATOM4487HG23ILE381−46.7051.167−9.089
ATOM4488NVAL382−43.8472.036−9.858
ATOM4489CAVAL382−44.0572.989−10.947
ATOM4490CVAL382−43.3672.513−12.206
ATOM4491OVAL382−43.9812.56−13.261
ATOM4492CBVAL382−43.6064.43−10.563
ATOM4493CG1VAL382−43.5915.376−11.797
ATOM4494CG2VAL382−44.5565.021−9.483
ATOM4495HAVAL382−45.1383.032−11.163
ATOM4496HVAL382−43.3642.323−9.026
ATOM4497HBVAL382−42.5774.383−10.164
ATOM4498HG11VAL382−44.5835.401−12.273
ATOM4499HG12VAL382−43.3226.4−11.493
ATOM4500HG13VAL382−42.8545.045−12.542
ATOM4501HG21VAL382−44.6284.381−8.593
ATOM4502HG22VAL382−44.1826.004−9.171
ATOM4503HG23VAL382−45.575.152−9.89
ATOM4504NLEU383−42.0972.057−12.146
ATOM4505CALEU383−41.3951.712−13.385
ATOM4506CLEU383−41.6330.281−13.829
ATOM4507OLEU383−41.8360.063−15.015
ATOM4508CBLEU383−39.8671.963−13.239
ATOM4509CGLEU383−39.4813.434−12.881
ATOM4510CD1LEU383−37.9453.548−12.659
ATOM4511CD2LEU383−39.94.453−13.98
ATOM4512HALEU383−41.7492.346−14.213
ATOM4513HLEU383−41.6261.961−11.263
ATOM4514HB1LEU383−39.4961.289−12.45
ATOM4515HB2LEU383−39.3751.687−14.186
ATOM4516HGLEU383−39.9783.715−11.936
ATOM4517HD21LEU383−40.9914.526−14.08
ATOM4518HD22LEU383−39.5275.458−13.729
ATOM4519HD23LEU383−39.4774.16−14.954
ATOM4520HD11LEU383−37.4043.362−13.599
ATOM4521HD12LEU383−37.6774.555−12.302
ATOM4522HD13LEU383−37.6052.82−11.908
ATOM4523NCYS384−41.594−0.732−12.935
ATOM4524CACYS384−41.614−2.117−13.416
ATOM4525CCYS384−43.001−2.552−13.854
ATOM4526OCYS384−43.678−3.225−13.093
ATOM4527CBCYS384−40.999−3.07−12.357
ATOM4528SGCYS384−40.82−4.739−13.076
ATOM4529HACYS384−40.943−2.198−14.288
ATOM4530HCYS384−41.519−0.557−11.948
ATOM4531HB1CYS384−40−2.706−12.066
ATOM4532HB2CYS384−41.631−3.11−11.459
ATOM4533HGCYS384−40.455−5.218−12.269
ATOM4534LPG1CYS384−41.416−4.995−13.277
ATOM4535LPG2CYS384−40.383−4.747−13.596
ATOM4536NGLU385−43.432−2.192−15.091
ATOM4537CAGLU385−44.742−2.619−15.595
ATOM4538CGLU385−45.127−4.016−15.159
ATOM4539OGLU385−46.136−4.162−14.491
ATOM4540CBGLU385−44.822−2.658−17.151
ATOM4541CGGLU385−45.185−1.304−17.808
ATOM4542CDGLU385−45.37−1.548−19.283
ATOM4543OE1GLU385−46.474−2.001−19.684
ATOM4544OE2GLU385−44.401−1.311−20.052
ATOM4545HAGLU385−45.503−1.922−15.209
ATOM4546HGLU385−42.875−1.585−15.664
ATOM4547HB1GLU385−43.869−3.022−17.566
ATOM4548HB2GLU385−45.611−3.363−17.461
ATOM4549HG1GLU385−46.134−0.923−17.404
ATOM4550HG2GLU385−44.394−0.559−17.627
ATOM4551NTHR386−44.371−5.064−15.557
ATOM4552CATHR386−44.827−6.424−15.273
ATOM4553CTHR386−45.144−6.593−13.81
ATOM4554OTHR386−46.14−7.222−13.488
ATOM4555CBTHR386−43.83−7.526−15.723
ATOM4556OG1THR386−44.44−8.814−15.508
ATOM4557CG2THR386−42.479−7.45−14.968
ATOM4558HATHR386−45.756−6.586−15.844
ATOM4559HTHR386−43.539−4.923−16.092
ATOM4560HBTHR386−43.649−7.391−16.803
ATOM4561HG1THR386−43.902−9.538−15.812
ATOM4562HG23THR386−42.032−6.449−15.034
ATOM4563HG21THR386−42.598−7.727−13.909
ATOM4564HG22THR386−41.781−8.155−15.43
ATOM4565NPHE387−44.325−6.035−12.893
ATOM4566CAPHE387−44.639−6.204−11.482
ATOM4567CPHE387−45.892−5.423−11.176
ATOM4568OPHE387−46.768−5.954−10.514
ATOM4569CBPHE387−43.519−5.745−10.519
ATOM4570CGPHE387−44.061−5.88−9.091
ATOM4571CD1PHE387−44.321−4.748−8.311
ATOM4572CD2PHE387−44.324−7.154−8.572
ATOM4573CE1PHE387−44.855−4.892−7.028
ATOM4574CE2PHE387−44.956−7.29−7.335
ATOM4575CZPHE387−45.177−6.161−6.546
ATOM4576HAPHE387−44.822−7.275−11.303
ATOM4577HPHE387−43.548−5.461−13.152
ATOM4578HB1PHE387−42.618−6.364−10.651
ATOM4579HB2PHE387−43.256−4.7−10.733
ATOM4580HD2PHE387−44.044−8.043−9.127
ATOM4581HE2PHE387−45.272−8.267−6.986
ATOM4582HZPHE387−45.593−6.267−5.556
ATOM4583HE1PHE387−45.02−4.025−6.4
ATOM4584HD1PHE387−44.109−3.754−8.691
ATOM4585NARG388−46.006−4.163−11.646
ATOM4586CAARG388−47.235−3.414−11.392
ATOM4587CARG388−48.435−4.167−11.926
ATOM4588OARG388−49.471−4.187−11.281
ATOM4589CBARG388−47.165−1.997−12.02
ATOM4590CGARG388−48.47−1.188−11.798
ATOM4591CDARG388−48.3240.306−12.198
ATOM4592NEARG388−48.0460.466−13.634
ATOM4593CZARG388−46.8640.711−14.166
ATOM4594NH1ARG388−45.7420.759−13.49
ATOM4595NH2ARG388−46.7940.928−15.46
ATOM4596HAARG388−47.331−3.294−10.302
ATOM4597HARG388−45.27−3.741−12.185
ATOM4598HB1ARG388−46.321−1.491−11.534
ATOM4599HB2ARG388−46.96−2.067−13.099
ATOM4600HG1ARG388−49.281−1.637−12.396
ATOM4601HG2ARG388−48.762−1.245−10.736
ATOM4602HD1ARG388−49.3050.776−12.008
ATOM4603HD2ARG388−47.6380.833−11.521
ATOM4604HEARG388−48.870.435−14.256
ATOM4605HH12ARG388−44.8460.986−13.949
ATOM4606HH11ARG388−45.7030.586−12.483
ATOM4607HH22ARG388−45.8951.14−15.917
ATOM4608HH21ARG388−47.6350.91−16.055
ATOM4609NLYS389−48.326−4.804−13.109
ATOM4610CALYS389−49.458−5.556−13.648
ATOM4611CLYS389−49.718−6.76−12.765
ATOM4612OLYS389−50.87−7.047−12.477
ATOM4613CBLYS389−49.185−5.966−15.124
ATOM4614CGLYS389−49.164−4.709−16.044
ATOM4615CDLYS389−48.572−4.998−17.452
ATOM4616CELYS389−48.612−3.72−18.337
ATOM4617NZLYS389−47.904−3.896−19.628
ATOM4618HALYS389−50.354−4.913−13.63
ATOM4619HLYS389−47.455−4.799−13.603
ATOM4620HB1LYS389−48.224−6.5−15.172
ATOM4621HB2LYS389−49.968−6.656−15.479
ATOM4622HG1LYS389−50.194−4.329−16.147
ATOM4623HG2LYS389−48.56−3.914−15.58
ATOM4624HD1LYS389−47.527−5.329−17.34
ATOM4625HD2LYS389−49.14−5.807−17.94
ATOM4626HE1LYS389−49.663−3.446−18.53
ATOM4627HE2LYS389−48.144−2.884−17.788
ATOM4628HZ1LYS389−48.304−4.692−20.241
ATOM4629HZ2LYS389−47.86−2.975−20.199
ATOM4630HZ3LYS389−46.858−4.138−19.499
ATOM4631NARG390−48.664−7.472−12.307
ATOM4632CAARG390−48.879−8.571−11.364
ATOM4633CARG390−49.477−8.067−10.069
ATOM4634OARG390−50.291−8.765−9.481
ATOM4635CBARG390−47.564−9.333−11.043
ATOM4636CGARG390−47.108−10.194−12.254
ATOM4637CDARG390−45.809−10.989−11.951
ATOM4638NEARG390−45.38−11.77−13.117
ATOM4639CZARG390−44.435−12.683−13.076
ATOM4640NH1ARG390−43.763−12.961−11.986
ATOM4641NH2ARG390−44.143−13.35−14.168
ATOM4642HAARG390−49.594−9.278−11.807
ATOM4643HARG390−47.727−7.224−12.567
ATOM4644HB1ARG390−46.782−8.615−10.758
ATOM4645HB2ARG390−47.73−9.988−10.175
ATOM4646HG1ARG390−47.902−10.915−12.513
ATOM4647HG2ARG390−46.942−9.549−13.129
ATOM4648HD1ARG390−45.01−10.283−11.668
ATOM4649HD2ARG390−46.039−11.648−11.098
ATOM4650HEARG390−45.869−11.595−14.01
ATOM4651HH12ARG390−43.049−13.7−11.991
ATOM4652HH11ARG390−43.919−12.461−11.103
ATOM4653HH22ARG390−43.399−14.069−14.17
ATOM4654HH21ARG390−44.642−13.176−15.052
ATOM4655NLEU391−49.077−6.86−9.612
ATOM4656CALEU391−49.686−6.279−8.42
ATOM4657CLEU391−51.144−6.025−8.709
ATOM4658OLEU391−51.977−6.403−7.901
ATOM4659CBLEU391−48.971−4.966−7.987
ATOM4660CGLEU391−49.726−4.124−6.918
ATOM4661CD1LEU391−49.976−4.928−5.617
ATOM4662CD2LEU391−48.912−2.841−6.585
ATOM4663HALEU391−49.603−7.014−7.607
ATOM4664HLEU391−48.382−6.333−10.102
ATOM4665HB1LEU391−47.954−5.212−7.639
ATOM4666HB2LEU391−48.882−4.322−8.869
ATOM4667HGLEU391−50.703−3.809−7.326
ATOM4668HD21LEU391−48.738−2.241−7.492
ATOM4669HD22LEU391−49.453−2.216−5.858
ATOM4670HD23LEU391−47.936−3.111−6.152
ATOM4671HD11LEU391−49.013−5.228−5.18
ATOM4672HD12LEU391−50.525−4.299−4.903
ATOM4673HD13LEU391−50.58−5.826−5.791
ATOM4674NVAL392−51.505−5.406−9.853
ATOM4675CAVAL392−52.926−5.189−10.117
ATOM4676CVAL392−53.631−6.532−10.155
ATOM4677OVAL392−54.698−6.632−9.572
ATOM4678CBVAL392−53.19−4.32−11.381
ATOM4679CG1VAL392−54.708−4.279−11.717
ATOM4680CG2VAL392−52.673−2.866−11.177
ATOM4681HAVAL392−53.339−4.628−9.263
ATOM4682HVAL392−50.819−5.122−10.527
ATOM4683HBVAL392−52.644−4.764−12.229
ATOM4684HG11VAL392−55.27−3.863−10.868
ATOM4685HG12VAL392−54.89−3.647−12.601
ATOM4686HG13VAL392−55.101−5.283−11.932
ATOM4687HG21VAL392−51.606−2.847−10.914
ATOM4688HG22VAL392−52.804−2.282−12.102
ATOM4689HG23VAL392−53.231−2.367−10.37
ATOM4690NLEU393−53.075−7.589−10.794
ATOM4691CALEU393−53.712−8.911−10.701
ATOM4692CLEU393−53.816−9.364−9.257
ATOM4693OLEU393−54.722−10.119−8.94
ATOM4694CBLEU393−52.925−10.027−11.452
ATOM4695CGLEU393−53.066−10.019−13.003
ATOM4696CD1LEU393−51.96−10.897−13.656
ATOM4697CD2LEU393−54.455−10.545−13.464
ATOM4698HALEU393−54.742−8.832−11.082
ATOM4699HLEU393−52.209−7.486−11.289
ATOM4700HB1LEU393−51.869−9.906−11.176
ATOM4701HB2LEU393−53.242−11.022−11.104
ATOM4702HGLEU393−52.931−8.989−13.363
ATOM4703HD21LEU393−55.271−9.957−13.031
ATOM4704HD22LEU393−54.544−10.484−14.56
ATOM4705HD23LEU393−54.594−11.595−13.163
ATOM4706HD11LEU393−52.032−11.935−13.298
ATOM4707HD12LEU393−52.065−10.896−14.752
ATOM4708HD13LEU393−50.958−10.513−13.415
ATOM4709NSER394−52.902−8.961−8.348
ATOM4710CASER394−53.068−9.325−6.94
ATOM4711CSER394−54.137−8.477−6.283
ATOM4712OSER394−54.874−9.015−5.471
ATOM4713CBSER394−51.73−9.193−6.172
ATOM4714OGSER394−50.757−10.03−6.826
ATOM4715HASER394−53.364−10.384−6.874
ATOM4716HSER394−52.124−8.39−8.612
ATOM4717HB1SER394−51.409−8.141−6.176
ATOM4718HB2SER394−51.865−9.502−5.121
ATOM4719HGSER394−49.892−9.945−6.436
ATOM4720NVAL395−54.238−7.166−6.609
ATOM4721CAVAL395−55.274−6.325−6.003
ATOM4722CVAL395−56.628−6.757−6.521
ATOM4723OVAL395−57.52−6.991−5.722
ATOM4724CBVAL395−55.072−4.805−6.301
ATOM4725CG1VAL395−56.276−3.954−5.803
ATOM4726CG2VAL395−53.761−4.279−5.652
ATOM4727HAVAL395−55.256−6.462−4.909
ATOM4728HVAL395−53.629−6.766−7.296
ATOM4729HBVAL395−55−4.664−7.393
ATOM4730HG11VAL395−56.428−4.103−4.723
ATOM4731HG12VAL395−56.09−2.884−5.985
ATOM4732HG13VAL395−57.204−4.225−6.329
ATOM4733HG21VAL395−52.894−4.849−6.007
ATOM4734HG22VAL395−53.599−3.221−5.911
ATOM4735HG23VAL395−53.81−4.367−4.556
ATOM4736NLYS396−56.803−6.85−7.857
ATOM4737CALYS396−58.077−7.299−8.416
ATOM4738CLYS396−58.027−8.813−8.41
ATOM4739OLYS396−57.198−9.297−9.162
ATOM4740CBLYS396−58.236−6.79−9.876
ATOM4741CGLYS396−58.377−5.244−9.958
ATOM4742CDLYS396−58.514−4.78−11.435
ATOM4743CELYS396−58.565−3.233−11.595
ATOM4744NZLYS396−59.764−2.612−10.98
ATOM4745HALYS396−58.92−6.888−7.843
ATOM4746HLYS396−56.033−6.696−8.478
ATOM4747HB1LYS396−57.349−7.09−10.453
ATOM4748HB2LYS396−59.121−7.265−10.331
ATOM4749HG1LYS396−59.267−4.944−9.384
ATOM4750HG2LYS396−57.492−4.771−9.501
ATOM4751HD1LYS396−57.647−5.157−12.003
ATOM4752HD2LYS396−59.42−5.225−11.878
ATOM4753HE1LYS396−57.652−2.791−11.162
ATOM4754HE2LYS396−58.562−3.006−12.677
ATOM4755HZ1LYS396−59.76−2.658−9.9
ATOM4756HZ2LYS396−59.834−1.559−11.222
ATOM4757HZ3LYS396−60.682−3.07−11.325
ATOM4758NPRO397−58.822−9.599−7.635
ATOM4759CAPRO397−58.615−11.045−7.57
ATOM4760CPRO397−58.211−11.777−8.833
ATOM4761OPRO397−59.055−12.385−9.472
ATOM4762CBPRO397−60.009−11.462−7.041
ATOM4763CGPRO397−60.363−10.323−6.06
ATOM4764CDPRO397−59.901−9.054−6.817
ATOM4765HAPRO397−57.862−11.246−6.79
ATOM4766HD2PRO397−59.593−8.283−6.096
ATOM4767HD1PRO397−60.705−8.672−7.467
ATOM4768HG2PRO397−59.764−10.45−5.142
ATOM4769HG1PRO397−61.431−10.299−5.787
ATOM4770HB1PRO397−60.746−11.454−7.861
ATOM4771HB2PRO397−60.008−12.458−6.568
ATOM4772NALA398−56.909−11.747−9.197
ATOM4773CAALA398−56.448−12.47−10.38
ATOM4774CALA398−57.235−12.074−11.607
ATOM4775OALA398−57.574−12.936−12.402
ATOM4776CBALA398−56.462−13.997−10.11
ATOM4777HAALA398−55.406−12.188−10.603
ATOM4778HALA398−56.245−11.192−8.685
ATOM4779HB1ALA398−56.024−14.545−10.959
ATOM4780HB2ALA398−55.875−14.219−9.206
ATOM4781HB3ALA398−57.491−14.355−9.957
ATOM4782NALA399−57.526−10.765−11.784
ATOM4783CAALA399−58.278−10.326−12.96
ATOM4784CALA399−57.801−8.958−13.392
ATOM4785OALA399−57.246−8.259−12.562
ATOM4786CBALA399−59.782−10.285−12.603
ATOM4787HAALA399−58.117−11.013−13.808
ATOM4788HALA399−57.266−10.072−11.104
ATOM4789HB1ALA399−60.377−9.955−13.469
ATOM4790HB2ALA399−60.12−11.287−12.298
ATOM4791HB3ALA399−59.948−9.587−11.768
ATOM4792NGLN400−57.975−8.541−14.667
ATOM4793CAGLN400−57.433−7.246−15.081
ATOM4794CGLN400−58.057−6.792−16.38
ATOM4795OGLN400−58.449−7.645−17.159
ATOM4796CBGLN400−55.893−7.38−15.241
ATOM4797CGGLN400−55.175−6.023−15.475
ATOM4798CDGLN400−53.675−6.191−15.393
ATOM4799OE1GLN400−52.992−6.029−16.391
ATOM4800NE2GLN400−53.125−6.523−14.207
ATOM4801HAGLN400−57.669−6.499−14.305
ATOM4802HGLN400−58.425−9.113−15.356
ATOM4803HB1GLN400−55.496−7.831−14.322
ATOM4804HB2GLN400−55.669−8.068−16.072
ATOM4805HG1GLN400−55.449−5.618−16.463
ATOM4806HG2GLN400−55.477−5.294−14.708
ATOM4807HE22GLN400−52.138−6.658−14.141
ATOM4808HE21GLN400−53.681−6.645−13.388
ATOM4809NGLY401−58.168−5.471−16.645
ATOM4810CAGLY401−58.754−5.037−17.91
ATOM4811CGLY401−58.833−3.534−17.983
ATOM4812OGLY401−58.48−2.864−17.026
ATOM4813HA2GLY401−59.772−5.446−18.012
ATOM4814HA1GLY401−58.139−5.401−18.748
ATOM4815HGLY401−57.859−4.768−16
ATOM4816H13GLY401−59.204−3.036−18.879
|
The data shown in Table 1 are expressed based on the Protein Data Bank (PDB) format: The PDB format is a format containing coordinates (X, Y, Z), etc. of individual atoms constituting a protein, and is one of the standard formats in handling coordinates of biopolymers. In Table 1, the “ATOM” appearing in the utmost left column (1st column) denotes each atom of the atomic coordinates. The numbers (1, 2, 3, . . . 4816) appearing in the next column (2nd column) are serial numbers of individual atoms. Subsequently, in the left to right direction in this Table, there are denoted the type of each atom and its position in the amino acid to which it belongs (e.g., “CB”, “CG”, “SD”) (in the 3rd column); the amino acid residue to which each atom belongs (three-letter abbreviations for amino acids, e.g. “MET”, “ASN”) (in the 4th column); the sequence number of the residue counted from the N-terminal (in the 5th column); X-coordinate (in angstrom unit) (in the 6th column); Y-coordinate (in angstrom unit) (in the 7th column); Z-coordinate (in angstrom unit)(in the 8th column).
In addition to the above-described atomic coordinates, the present invention also includes derivatives therefrom, i.e., derivatives from the above-mentioned atomic coordinates (related receptors, etc.) obtained by techniques such as homology modeling on computer. The term “derivatives” means proteins of the GPCR family that have 15% or more, preferably 30% or more, homology to native human MCH-R1 in the amino acid sequence; or atomic coordinates (derived coordinates) in which a part of the amino acid sequence of native human MCH-R1 (preferably one or several (e.g., one to ten) amino acids) is deleted, substituted or added and which exhibit a three-dimensional structure of a protein having activity functionally equivalent to native human MCH-R1 (i.e., the signal transduction activity of GPCRs). Further, in the case of a GPCR family protein that is too low in homology to make an alignment of amino acid sequences with human MCH-R1 in all regions, modeling may be performed on the seven helix sites alone that can be determined using hydrophobicity or the like as an indicator. Whether a given set of atomic coordinates constituting a mutated GPCR amino acid sequence is included as a derivative of the present invention can be analyzed by comparing the three-dimensional structure of the GPCR in question and native human MCH-R1 (as represented by Table 1) by using as a parameter the discrepancies between the positions of α carbon atoms of specific amino acid residues.
Specifically, an image of the three-dimensional structure composed of the atomic coordinates of native human MCH-R1 (designated “three-dimensional structure I”) and an image of the three-dimensional structure composed of the derived coordinates in question (designated “three-dimensional structure II”) are created on computer based on the two sets of atomic coordinates. Subsequently, one image is superimposed on the other image on a computer display. The image of three-dimensional structure I contains seven helix sites of human MCH-R1. These regions are superimposed on the regions of the corresponding helix sites in the image of three-dimensional structure II, or vice versa. This superimposition may be processed automatically based on a computer program, or may be carried out manually on a computer display in a manner similar to the one employed in comparing fingerprints. A suitable program includes COMPOSER or MODELER.
The seven helix sites (regions), the three extra-cellular sites (regions), the three intra-cellular sites (regions) and the carboxy terminus of human MCH-R1 include the first helix (expressed as “HI (106-135)”) consisting of an amino acid sequence from position 106 to position 135 (SEQ ID NO: 2) of the amino acid sequence as shown in SEQ ID NO: 1 (hereinafter, all the position numbers mentioned in this paragraph refer to position numbers in SEQ ID NO: 1), the second helix (expressed as “HII (146-175)”) consisting of an amino acid sequence from position 146 to position 175 (SEQ ID NO: 3), the third helix (expressed as “HIII (183-213)”) consisting of an amino acid sequence from position 183 to position 213 (SEQ ID NO: 4), the fourth helix (expressed as “HIV (226-249)”) consisting of an amino acid sequence from position 226 to position 249 (SEQ ID NO: 5), the fifth helix (expressed as “HV (274-302)”) consisting of an amino acid sequence from position 274 to position 302 (SEQ ID NO: 6), the sixth helix (expressed as “HVI (319-350)”) consisting of an amino acid sequence from position 319 to position 350 (SEQ ID NO: 7), the seventh helix (expressed as “HVII (360-383)”) consisting of an amino acid sequence from position 360 to position 383 (SEQ ID NO: 8); the first extra-cellular region (expressed as “ECI (176-182)”) consisting of an amino acid sequence from position 176 to position 182 (SEQ ID NO: 9), the second extra-cellular region (expressed as “ECII (250-273)”) consisting of an amino acid sequence from position 250 to position 273 (SEQ ID NO: 10), the third extra-cellular region (expressed as “ECIII (351-359)”) consisting of an amino acid sequence from position 351 to position 359 (SEQ ID NO: 11), the first intra-cellular region (expressed as “ICI (136-145)”) consisting of an amino acid sequence from position 136 to position 145 (SEQ ID NO: 12), the second intra-cellular region (expressed as “ICII (214-225)”) consisting of an amino acid sequence from position 214 to position 225 (SEQ ID NO: 13), the third intra-cellular region (expressed as “ICIII (303-318)”) consisting of an amino acid sequence from position 303 to position 318 (SEQ ID NO: 14), and the carboxy terminal region (expressed as “CTERM (384-401)”) consisting of an amino acid sequence from position 384 to position 401 (SEQ ID NO: 15). Then, these regions are superimposed on the corresponding regions of the three-dimensional structure II or vice versa, to calculate the discrepancies between the positions of the α carbon atoms in the amino acid residues of those helices in the three-dimensional structure I and the positions of the corresponding α carbon atoms in the amino acid residues of the corresponding helices in the three-dimensional structure II. When the mean residual of the discrepancies is 1.5 Å, preferably 1.0 , more preferably 0.5, or less, the three-dimensional structure II is regarded as a derivative of the atomic coordinates as shown in Table 1 (derived coordinates). Discrepancies between the positions of corresponding α carbon atoms can be calculated by the so-called least squares method. Generally, such discrepancies can be calculated using a computer software (e.g., LSQKAB, Quanta). The mean residual is calculated as follows. Briefly, individual distances between two corresponding α carbon atoms are squared; the mean value of these squares is calculated; and then the square root of the mean value is calculated to obtain the mean residual.
An active site or protein-binding site is formed by at least one helix selected from the above-described seven helices. Accordingly, a G protein-coupled receptor that has a three-dimensional structure of that active site or protein-binding site, preferably at least one helix consists of HIII, HV, HVI and HVII, is also included in the G protein-coupled receptor of the invention.
In addition to the GPCR (human MCH-R1) having the three-dimensional structure consisting of the atomic coordinates as shown in Table 1, the present invention also includes a three-dimensional structure consisting of such derived coordinates as the GPCRs of the invention.
In Table 1, atomic coordinates for the amino acid residues of individual helices and extra-cellular regions corresponds to amino acid residues 106-135 for HI, 146-175 for HII, 176-182 for ECI, 183-213 for HIII, 226-249 for HIV, 250-273 for ECII, 274-302 for HV, 319-350 for HVI, 351-359 for ECIII and 360-383 for HVII (residue numbers are entered in the 5th column).
II. Uses of the 3D Coordinates of MCH-R1
For the first time, the present invention permits the use of virtual design techniques (i.e., computer modeling or “in silico”) to design, select, and synthesize a drug candidate capable of inhibiting/stimulating or binding MCH-R1. In turn, these drug candidates may be effective in the treatment of a MCH-R1 mediated disorder.
The term “MCH-R1 mediated disorder” is a disorder that involves a modulation in MCH-R1 activity in the biological manifestation of the disease, disorder, and/or condition; in the biological cascade leading to the disorder; or as a symptom of the disorder. This “involvement” of MCH-R1 in a MCH-R1 mediated disorder includes, but is not limited to, the following: (1) The modulation of MCH-R1 activity as a “cause” of the disorder or biological manifestation, whether the MCH-R1 is modulated genetically, by infection, by autoimmunity, trauma, biomechanical causes, lifestyle, or by some other causes. (2) The modulated MCH-R1 activity is part of the observable manifestation of the disease or disorder. That is, the disease or disorder is measurable in terms of the modulated MCH-R1 activity. From a clinical standpoint, modulated MCH-R1 activity indicates the disease, however, MCH-R1 activity need not be the “hallmark” of the disease or disorder. (3) The modulated MCH-R1 activity is part of the biochemical or cellular cascade that results in the disease or disorder. In this respect, inhibiting or stimulating of MCH-R1 (per the respective therapeutic goal) interrupts the cascade, and thus controls the disease. “Modulation in MCH-R1 activity,” as used herein, encompasses both unwanted or elevated MCH-R1 activity and desired or reduced MCH-R1 activity.
Non-limiting examples of MCH-R1 mediated disorders that may be treated by agonists or antagonists identified by the present invention include obesity, anorexia, inflammation, mental disorders, cachexia, metabolic and eating disorders, diabetes, insulin resistance, glucose intolerance, Type-2 diabetes mellitus, coronary artery disease, elevated blood pressure, hypertension, dyslipidaeniia, cancer (e.g., endometrial, cervical, ovarian, breast, prostate, gallbladder, colon), menstrual irregularities, hirsutism, infertility, gallbladder disease, restrictive lung disease, sleep apnea, gout, osteoarthritis, and thromboembolic disease, memory (including learning), cardiovascular function, sepsis, cardiogenic and hypovolemic shock, sexual dysfunction, penile erection, muscle atrophy, nerve growth and repair, intrauterine fetal growth, and the like.
In the present invention, it is possible to carry out virtual screening for drugs using the above-described atomic coordinates or derived coordinates therefrom.
Briefly, the atomic coordinates of the three-dimensional structure elucidated by the invention are input into a computer so that images of the structure and various parameters are shown on the display. All the information contained in Table 1 may be input, or atomic coordinates corresponding to at least one helix, or atomic coordinates corresponding to at least one extra-cellular region, or atomic coordinates corresponding to two helices linked by an extra-cellular region, or atomic coordinates corresponding to the top fifteen residues of at least one helix, or atomic coordinates corresponding to the top fifteen residues of two helices linked by an extra-cellular region may be input. For example, atomic coordinates corresponding to HI (106-135), HII (146-175), HIII (183-213), HIV (226-249), HV (274-302), HVI (319-350), HVII (360-383), ECI (176-182), ECII (250-273), ECIII (351-359), THII-ECI-THIII (161-197), THIV-ECII-THV (235-288), THVI-ECIII-THVII (336-374), TH-I (106-120), TH-II (161-175), TH-III (183-197), TH-IV (235-249), TH-V (274-288), TH-VI (336-350), and/or TH-VII (360-374) may be input.
Then, the resultant data are input into a virtual compound library. Since a virtual compound library is contained in a virtual screening software such as DOCK-4 (Kuntz, UCSF), the above-described data may be input into such a software. Candidate drugs may be searched for, using a three-dimensional structure database of virtual or non-virtual drug candidate compounds, such as MDDR (Prous Science, Spain).
The potential stimulating/inhibitory or binding effect (i.e., interaction or association) of a drug candidate compound may be analyzed prior to its actual synthesis and testing by the use of computer modeling techniques. If the theoretical structure of the given compound suggests insufficient interaction and association between it and MCH-R1, synthesis and testing of the candidate is obviated. However, if computer modeling indicates a strong interaction, the molecule may then be synthesized and tested for its ability to bind to or stimulate/inhibit MCH-R1 using various methods known in the art. Examples of such methods include the measurement of second messenger responses, in particular cAMP, such as the use of modified cell systems yielding color reaction upon accumulation of second messenger elements such as cAMP, e.g. as described by Chen et al. 1995 (Anal Biochem. 1995, 226, 349-54), Cytosensor Microphysiometer techniques (see Boyfield et al. 1996). In this manner, synthesis of inoperative candidates may be avoided.
Agonist/antagonist or binding drug candidates of MCH-R1 may be computationally evaluated and designed by means of a series of steps in which chemical entities or fragments are screened and selected for their ability to bind with the individual binding sites (e.g., HI, HV, HVI, HVII, ECI, ECII, ECIII) or other areas of MCH-R1.
One skilled in the art may use one of several methods to screen chemical entities or fragments for their ability to associate with MCH-R1 and more particularly with the individual binding sites. This process may begin by visual inspection of, for example, the active site on the computer screen based on the MCH-R1 coordinates in Table I. Selected fragments or chemical entities may then be positioned in a variety of orientations, or docked, within an individual binding site of MCH-R1 as defined supra. Docking may be accomplished using software such as QUANTA, SYBYL, followed by energy minimization and molecular dynamics with standard molecular mechanics forcefields, such as CHARMM and AMBER.
Specialized computer programs may also assist in the process of selecting fragments or chemical entities. These include: (1) GRID (Goodford, P. J., “A Computational Procedure for Determining Energetically Favorable Binding Sites on Biologically Important Macromolecules” J. Med. Chem., 28, pp. 849-857 (1985)), available from Oxford University, Oxford, UK; (2) MCSS (Miranker, A. and M. Karplus, “Functionality Maps of Binding Sites: A Multiple Copy Simultaneous Search Method.” Proteins: Structure, Function and Genetics, 11, pp. 29-34 (1991)), available from Molecular Simulations, Burlington, Mass; (3) AUTODOCK (Goodsell, D. S. and A. J. Olsen, “Automated Docking of Substrates to Proteins by Simulated Annealing” Proteins: Structure. Function, and Genetics, 8, pp. 195-202 (1990)), available from Scripps Research Institute, La Jolla, Calif.; and (4) DOCK (Kuntz, I. D. et al., “A Geometric Approach to Macromolecule-Ligand Interactions” J. Mol. Biol., 161, pp. 269-288 (1982)), available from University of California, San Francisco, Calif; (5) GLIDE available from Schrodinger Inc.; (6) FlexX available from Tripos Inc; (7) GOLD (Jones et al., J. Mol. Biol., 245, 43-53, 1995) available from the Cambridge Crystallographic Data Centre.
Once suitable chemical entities or fragments have been selected, they can be assembled in silico or synthesized into a single drug candidate. In silico assembly may proceed by visual inspection of the relationship of the fragments to each other on the three-dimensional image displayed on a computer screen in relation to the structure coordinates of MCH-R1. This would be followed by manual model building using software such as QUANTA or SYBYL. Chemical syntheses are by those methods well-known in the art.
Useful programs to aid one of skill in the art in connecting the individual chemical entities or fragments include the following: (1) CAVEAT (Bartlett, P. A. et al, “CAVEAT: A Program to Facilitate the Structure-Derived Design of Biologically Active Molecules”. In Molecular Recognition in Chemical and Biological Problems”, Special Pub., Royal Chem. Soc., 78, pp. 182-196 (1989)), available from the University of California, Berkeley, Calif.; (2) 3D Database systems such as MACCS-3D (MDL Information Systems, San Leandro, Calif.). This area is reviewed in Martin, Y. C., “3D Database Searching in Drug Design”, J. Med. Chem., 35, pp. 2145-2154 (1992)); and (3) HOOK (available from Molecular Simulations, Burlington, Mass.).
Instead of proceeding to build an MCH-R1 agonist or antagonist in a step-wise fashion one fragment or chemical entity at a time as described above, drug candidates useful for the treatment of MCH-R1 mediated disorders may be designed as a whole or “de novo” using either an empty active site or optionally including some portion(s) of a known agonist or antagonist. These methods include the following: (1) LUDI (Bohm, H.-J., “The Computer Program LUDI: A New Method for the De Novo Design of Enzyme Inhibitors”, J. ComR. Aid. Molec. Design, 6, pp. 61-78 (1992)), available from Biosym Technologies, San Diego, Calif.; (2) LEGEND (Nishibata, Y. and A. Itai, Tetrahedron, 47, p. 8985 (1991)), available from Molecular Simulations, Burlington, Mass.; (3) LeapFrog (available from Tripos Associates, St. Louis, Mo.).
Once a drug candidate has been designed or selected by the above methods, the efficiency with which that candidate may bind to MCH-R1 may be tested and optimized by computational evaluation. An effective MCH-R1 agonist must preferably demonstrate a relatively small difference in energy between its bound and free states (i.e., a small deformation energy of binding). Thus, the most efficient MCH-R1 agonist should preferably be designed with a deformation energy of binding of not greater than about 10 kcal/mole, preferably, not greater than 7 kcal/mole. MCH-R1 agonists may interact with the enzyme in more than one conformation that is similar in overall binding energy. In those cases, the deformation energy of binding is taken to be the difference between the energy of the free compound and the average energy of the conformations observed when the agonist binds to the enzyme.
A compound designed or selected as binding to MCH-R1 may be further computationally optimized so that in its bound state it would preferably lack repulsive electrostatic interaction with the target enzyme. Such non-complementary (e.g., electrostatic) interactions include repulsive charge-charge, dipole-dipole and charge-dipole interactions. Specifically, the sum of all electrostatic interactions between the compound and the enzyme when the compound is bound to MCH-R1, preferably make a neutral or favorable contribution to the enthalpy of binding.
Specific computer software is available in the art to evaluate compound deformation energy and electrostatic interaction. Examples of programs designed for such uses include: Gaussian 92, revision C [M. J. Frisch, Gaussian, Inc., Pittsburgh, Pa. ©1992]; AMBER, version 4.0 [P. A. Kollman, University of California at San Francisco, ©1994]; QUANTA/CHARMM [Molecular Simulations, Inc., Burlington, Mass. ©1994]; and Insight II/Discover (Biosysm Technologies Inc., San Diego, Calif. ©1994). Other software packages will be known to those skilled in the art.
Once a MCH-R1-binding compound has been optimally selected or designed, as described above, substitutions may then be made in some of its atoms or side groups in order to improve or modify its binding properties. Generally, initial substitutions are conservative, i.e., the replacement group will have approximately the same size, shape, hydrophobicity and charge as the original group. It should, of course, be understood that components known in the art to alter conformation should be avoided. Such substituted chemical compounds may then be analyzed for efficiency of fit to MCH-R1 by the same computer methods described in detail, above.
Except as otherwise noted, all amounts including quantities, percentages, portions, and proportions, are understood to be modified by the word “about”, and amounts are not intended to indicate significant digits.
Except as otherwise noted, the articles “a”, “an”, and “the” mean “one or more”.
All documents cited are, in relevant part, incorporated herein by reference; the citation of any document is not to be construed as an admission that it is prior art with respect to the present invention.
While particular embodiments of the present invention have been illustrated and described, it would be obvious to those skilled in the art that various other changes and modifications can be made without departing from the spirit and scope of the invention. It is therefore intended to cover in the appended claims all such changes and modifications that are within the scope.