USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 955 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 THR OG1 : rot 86:sc= -1.19 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -0.685 K(o=-1.9,f=-4.6) USER MOD Set 2.1: A 35 ASN : amide:sc= -0.768 K(o=-1.8,f=-3.8!) USER MOD Set 2.2: A 37 ASN : amide:sc= -1.04 K(o=-1.8,f=-5.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.0313 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.17) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0466 USER MOD Single : A 14 SER OG : rot 180:sc= 0.118 USER MOD Single : A 29 THR OG1 : rot -178:sc= -0.613 USER MOD Single : A 30 CYS SG : rot 39:sc= -0.0425 USER MOD Single : A 31 THR OG1 : rot 99:sc= 1.83 USER MOD Single : A 32 THR OG1 : rot 32:sc= 0.113 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -63:sc= -0.258 USER MOD Single : A 53 SER OG : rot 180:sc= -0.324 USER MOD Single : A 57 MET CE :methyl 171:sc= 0 (180deg=-0.191) USER MOD Single : A 60 MET CE :methyl -160:sc= -2.19 (180deg=-2.82!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -5.5! C(o=-5.5!,f=-4.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.54 X(o=-1.5,f=-1.3) USER MOD Single : A 75 MET CE :methyl -152:sc= -0.0885 (180deg=-0.523) USER MOD Single : A 81 MET CE :methyl -139:sc= -2.69! (180deg=-3.6) USER MOD Single : A 85 SER OG : rot -51:sc= 0.848 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -129:sc= -3.64! USER MOD Single : A 95 GLN : amide:sc= -1.38! C(o=-1.4!,f=-3.5!) USER MOD Single : A 96 GLN : amide:sc= -0.0546 K(o=-0.055,f=-1.4) USER MOD Single : A 101 TYR OH : rot -110:sc= -2.84! USER MOD Single : A 104 LYS NZ :NH3+ 151:sc= -1.03 (180deg=-3.39!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 122 TYR OH : rot -76:sc= 0.568 USER MOD Single : A 123 GLN : amide:sc= -0.643 K(o=-0.64,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.193 0.438 1.552 1.00 71.53 N ATOM 2 CA MET A 1 1.455 -0.118 0.229 1.00 74.00 C ATOM 3 C MET A 1 1.802 -1.601 0.321 1.00 51.50 C ATOM 4 O MET A 1 2.427 -2.041 1.285 1.00 32.32 O ATOM 5 CB MET A 1 2.594 0.643 -0.451 1.00 40.41 C ATOM 6 CG MET A 1 3.049 0.016 -1.759 1.00 14.11 C ATOM 7 SD MET A 1 3.690 1.232 -2.926 1.00 75.55 S ATOM 8 CE MET A 1 2.390 1.235 -4.159 1.00 62.43 C ATOM 0 H1 MET A 1 0.175 0.625 1.655 1.00 71.53 H new ATOM 0 H2 MET A 1 1.496 -0.240 2.280 1.00 71.53 H new ATOM 0 H3 MET A 1 1.721 1.327 1.666 1.00 71.53 H new ATOM 0 HA MET A 1 0.549 -0.012 -0.368 1.00 74.00 H new ATOM 0 HB2 MET A 1 2.273 1.667 -0.641 1.00 40.41 H new ATOM 0 HB3 MET A 1 3.442 0.696 0.231 1.00 40.41 H new ATOM 0 HG2 MET A 1 3.821 -0.726 -1.553 1.00 14.11 H new ATOM 0 HG3 MET A 1 2.212 -0.513 -2.214 1.00 14.11 H new ATOM 0 HE1 MET A 1 2.641 1.941 -4.951 1.00 62.43 H new ATOM 0 HE2 MET A 1 2.288 0.236 -4.583 1.00 62.43 H new ATOM 0 HE3 MET A 1 1.449 1.530 -3.695 1.00 62.43 H new ATOM 18 N GLN A 2 1.392 -2.363 -0.687 1.00 65.44 N ATOM 19 CA GLN A 2 1.660 -3.796 -0.718 1.00 62.42 C ATOM 20 C GLN A 2 2.850 -4.109 -1.620 1.00 10.41 C ATOM 21 O GLN A 2 2.724 -4.847 -2.597 1.00 30.34 O ATOM 22 CB GLN A 2 0.425 -4.557 -1.203 1.00 33.15 C ATOM 23 CG GLN A 2 -0.102 -4.072 -2.543 1.00 41.34 C ATOM 24 CD GLN A 2 -1.491 -3.474 -2.443 1.00 75.10 C ATOM 25 OE1 GLN A 2 -1.796 -2.735 -1.507 1.00 4.34 O ATOM 26 NE2 GLN A 2 -2.344 -3.792 -3.410 1.00 51.12 N ATOM 0 H GLN A 2 0.873 -2.013 -1.493 1.00 65.44 H new ATOM 0 HA GLN A 2 1.901 -4.116 0.296 1.00 62.42 H new ATOM 0 HB2 GLN A 2 0.669 -5.617 -1.280 1.00 33.15 H new ATOM 0 HB3 GLN A 2 -0.364 -4.465 -0.457 1.00 33.15 H new ATOM 0 HG2 GLN A 2 0.582 -3.327 -2.950 1.00 41.34 H new ATOM 0 HG3 GLN A 2 -0.119 -4.905 -3.245 1.00 41.34 H new ATOM 0 HE21 GLN A 2 -2.049 -4.408 -4.168 1.00 51.12 H new ATOM 0 HE22 GLN A 2 -3.294 -3.420 -3.395 1.00 51.12 H new ATOM 35 N ARG A 3 4.004 -3.541 -1.286 1.00 3.11 N ATOM 36 CA ARG A 3 5.216 -3.758 -2.067 1.00 3.55 C ATOM 37 C ARG A 3 5.692 -5.202 -1.942 1.00 3.10 C ATOM 38 O ARG A 3 6.525 -5.661 -2.722 1.00 71.44 O ATOM 39 CB ARG A 3 6.321 -2.804 -1.608 1.00 1.11 C ATOM 40 CG ARG A 3 7.079 -3.293 -0.385 1.00 31.14 C ATOM 41 CD ARG A 3 6.174 -3.377 0.835 1.00 71.14 C ATOM 42 NE ARG A 3 5.599 -2.080 1.180 1.00 2.31 N ATOM 43 CZ ARG A 3 5.124 -1.784 2.385 1.00 40.33 C ATOM 44 NH1 ARG A 3 5.155 -2.688 3.354 1.00 42.02 N ATOM 45 NH2 ARG A 3 4.617 -0.581 2.622 1.00 54.21 N ATOM 0 H ARG A 3 4.125 -2.927 -0.480 1.00 3.11 H new ATOM 0 HA ARG A 3 4.985 -3.559 -3.113 1.00 3.55 H new ATOM 0 HB2 ARG A 3 7.025 -2.657 -2.427 1.00 1.11 H new ATOM 0 HB3 ARG A 3 5.881 -1.831 -1.387 1.00 1.11 H new ATOM 0 HG2 ARG A 3 7.508 -4.274 -0.590 1.00 31.14 H new ATOM 0 HG3 ARG A 3 7.910 -2.619 -0.177 1.00 31.14 H new ATOM 0 HD2 ARG A 3 5.372 -4.090 0.643 1.00 71.14 H new ATOM 0 HD3 ARG A 3 6.743 -3.758 1.683 1.00 71.14 H new ATOM 0 HE ARG A 3 5.560 -1.362 0.457 1.00 2.31 H new ATOM 0 HH11 ARG A 3 5.544 -3.614 3.176 1.00 42.02 H new ATOM 0 HH12 ARG A 3 4.790 -2.458 4.278 1.00 42.02 H new ATOM 0 HH21 ARG A 3 4.592 0.117 1.879 1.00 54.21 H new ATOM 0 HH22 ARG A 3 4.252 -0.354 3.547 1.00 54.21 H new ATOM 59 N GLY A 4 5.158 -5.913 -0.954 1.00 15.12 N ATOM 60 CA GLY A 4 5.540 -7.297 -0.744 1.00 61.15 C ATOM 61 C GLY A 4 4.375 -8.160 -0.304 1.00 74.53 C ATOM 62 O GLY A 4 3.858 -8.000 0.802 1.00 60.31 O ATOM 0 H GLY A 4 4.467 -5.555 -0.295 1.00 15.12 H new ATOM 0 HA2 GLY A 4 5.958 -7.699 -1.667 1.00 61.15 H new ATOM 0 HA3 GLY A 4 6.327 -7.343 0.009 1.00 61.15 H new ATOM 66 N ILE A 5 3.958 -9.077 -1.172 1.00 4.22 N ATOM 67 CA ILE A 5 2.846 -9.968 -0.866 1.00 40.23 C ATOM 68 C ILE A 5 3.303 -11.143 -0.009 1.00 71.53 C ATOM 69 O ILE A 5 4.392 -11.683 -0.206 1.00 74.43 O ATOM 70 CB ILE A 5 2.188 -10.508 -2.150 1.00 3.21 C ATOM 71 CG1 ILE A 5 1.545 -9.365 -2.939 1.00 64.50 C ATOM 72 CG2 ILE A 5 1.154 -11.571 -1.809 1.00 5.44 C ATOM 73 CD1 ILE A 5 1.306 -9.697 -4.395 1.00 75.03 C ATOM 0 H ILE A 5 4.374 -9.222 -2.092 1.00 4.22 H new ATOM 0 HA ILE A 5 2.114 -9.381 -0.312 1.00 40.23 H new ATOM 0 HB ILE A 5 2.959 -10.965 -2.771 1.00 3.21 H new ATOM 0 HG12 ILE A 5 0.595 -9.102 -2.474 1.00 64.50 H new ATOM 0 HG13 ILE A 5 2.185 -8.485 -2.875 1.00 64.50 H new ATOM 0 HG21 ILE A 5 0.698 -11.943 -2.727 1.00 5.44 H new ATOM 0 HG22 ILE A 5 1.638 -12.395 -1.285 1.00 5.44 H new ATOM 0 HG23 ILE A 5 0.384 -11.138 -1.171 1.00 5.44 H new ATOM 0 HD11 ILE A 5 0.848 -8.842 -4.893 1.00 75.03 H new ATOM 0 HD12 ILE A 5 2.256 -9.931 -4.876 1.00 75.03 H new ATOM 0 HD13 ILE A 5 0.641 -10.558 -4.468 1.00 75.03 H new ATOM 85 N VAL A 6 2.462 -11.537 0.942 1.00 3.14 N ATOM 86 CA VAL A 6 2.778 -12.651 1.828 1.00 31.14 C ATOM 87 C VAL A 6 1.678 -13.706 1.798 1.00 14.12 C ATOM 88 O VAL A 6 0.503 -13.398 2.002 1.00 22.30 O ATOM 89 CB VAL A 6 2.978 -12.175 3.280 1.00 53.05 C ATOM 90 CG1 VAL A 6 3.630 -13.266 4.115 1.00 70.24 C ATOM 91 CG2 VAL A 6 3.807 -10.900 3.312 1.00 12.01 C ATOM 0 H VAL A 6 1.557 -11.101 1.119 1.00 3.14 H new ATOM 0 HA VAL A 6 3.708 -13.089 1.466 1.00 31.14 H new ATOM 0 HB VAL A 6 2.001 -11.957 3.711 1.00 53.05 H new ATOM 0 HG11 VAL A 6 3.763 -12.911 5.137 1.00 70.24 H new ATOM 0 HG12 VAL A 6 2.994 -14.151 4.118 1.00 70.24 H new ATOM 0 HG13 VAL A 6 4.601 -13.519 3.689 1.00 70.24 H new ATOM 0 HG21 VAL A 6 3.939 -10.577 4.345 1.00 12.01 H new ATOM 0 HG22 VAL A 6 4.782 -11.089 2.864 1.00 12.01 H new ATOM 0 HG23 VAL A 6 3.295 -10.119 2.751 1.00 12.01 H new ATOM 101 N TRP A 7 2.066 -14.950 1.543 1.00 32.01 N ATOM 102 CA TRP A 7 1.112 -16.052 1.487 1.00 54.23 C ATOM 103 C TRP A 7 1.342 -17.031 2.633 1.00 41.24 C ATOM 104 O TRP A 7 2.395 -17.019 3.270 1.00 43.21 O ATOM 105 CB TRP A 7 1.222 -16.781 0.147 1.00 52.24 C ATOM 106 CG TRP A 7 0.773 -15.952 -1.019 1.00 63.30 C ATOM 107 CD1 TRP A 7 0.170 -14.728 -0.971 1.00 31.15 C ATOM 108 CD2 TRP A 7 0.891 -16.289 -2.406 1.00 20.14 C ATOM 109 NE1 TRP A 7 -0.095 -14.284 -2.244 1.00 4.45 N ATOM 110 CE2 TRP A 7 0.339 -15.222 -3.142 1.00 30.53 C ATOM 111 CE3 TRP A 7 1.411 -17.387 -3.097 1.00 51.40 C ATOM 112 CZ2 TRP A 7 0.292 -15.224 -4.533 1.00 61.42 C ATOM 113 CZ3 TRP A 7 1.363 -17.387 -4.478 1.00 63.11 C ATOM 114 CH2 TRP A 7 0.808 -16.312 -5.184 1.00 41.24 C ATOM 0 H TRP A 7 3.034 -15.221 1.372 1.00 32.01 H new ATOM 0 HA TRP A 7 0.109 -15.637 1.586 1.00 54.23 H new ATOM 0 HB2 TRP A 7 2.257 -17.085 -0.009 1.00 52.24 H new ATOM 0 HB3 TRP A 7 0.625 -17.692 0.187 1.00 52.24 H new ATOM 0 HD1 TRP A 7 -0.064 -14.188 -0.065 1.00 31.15 H new ATOM 0 HE1 TRP A 7 -0.543 -13.399 -2.482 1.00 4.45 H new ATOM 0 HE3 TRP A 7 1.842 -18.220 -2.562 1.00 51.40 H new ATOM 0 HZ2 TRP A 7 -0.136 -14.397 -5.079 1.00 61.42 H new ATOM 0 HZ3 TRP A 7 1.760 -18.231 -5.023 1.00 63.11 H new ATOM 0 HH2 TRP A 7 0.787 -16.342 -6.263 1.00 41.24 H new ATOM 125 N VAL A 8 0.351 -17.878 2.890 1.00 71.32 N ATOM 126 CA VAL A 8 0.447 -18.865 3.959 1.00 71.34 C ATOM 127 C VAL A 8 -0.263 -20.159 3.577 1.00 61.40 C ATOM 128 O VAL A 8 -1.353 -20.137 3.005 1.00 30.15 O ATOM 129 CB VAL A 8 -0.155 -18.331 5.272 1.00 42.31 C ATOM 130 CG1 VAL A 8 0.174 -19.262 6.428 1.00 21.53 C ATOM 131 CG2 VAL A 8 0.346 -16.922 5.552 1.00 22.03 C ATOM 0 H VAL A 8 -0.528 -17.901 2.373 1.00 71.32 H new ATOM 0 HA VAL A 8 1.508 -19.066 4.110 1.00 71.34 H new ATOM 0 HB VAL A 8 -1.239 -18.293 5.166 1.00 42.31 H new ATOM 0 HG11 VAL A 8 -0.260 -18.868 7.347 1.00 21.53 H new ATOM 0 HG12 VAL A 8 -0.238 -20.251 6.227 1.00 21.53 H new ATOM 0 HG13 VAL A 8 1.256 -19.335 6.540 1.00 21.53 H new ATOM 0 HG21 VAL A 8 -0.089 -16.560 6.483 1.00 22.03 H new ATOM 0 HG22 VAL A 8 1.432 -16.933 5.639 1.00 22.03 H new ATOM 0 HG23 VAL A 8 0.054 -16.263 4.735 1.00 22.03 H new ATOM 141 N VAL A 9 0.363 -21.288 3.897 1.00 13.33 N ATOM 142 CA VAL A 9 -0.209 -22.593 3.590 1.00 75.03 C ATOM 143 C VAL A 9 -0.313 -23.456 4.842 1.00 72.51 C ATOM 144 O VAL A 9 0.468 -24.389 5.032 1.00 50.11 O ATOM 145 CB VAL A 9 0.628 -23.338 2.534 1.00 61.25 C ATOM 146 CG1 VAL A 9 2.066 -23.493 3.004 1.00 2.22 C ATOM 147 CG2 VAL A 9 0.011 -24.694 2.224 1.00 10.32 C ATOM 0 H VAL A 9 1.267 -21.324 4.369 1.00 13.33 H new ATOM 0 HA VAL A 9 -1.208 -22.415 3.192 1.00 75.03 H new ATOM 0 HB VAL A 9 0.632 -22.748 1.617 1.00 61.25 H new ATOM 0 HG11 VAL A 9 2.642 -24.022 2.245 1.00 2.22 H new ATOM 0 HG12 VAL A 9 2.503 -22.508 3.170 1.00 2.22 H new ATOM 0 HG13 VAL A 9 2.085 -24.060 3.935 1.00 2.22 H new ATOM 0 HG21 VAL A 9 0.616 -25.206 1.476 1.00 10.32 H new ATOM 0 HG22 VAL A 9 -0.026 -25.294 3.134 1.00 10.32 H new ATOM 0 HG23 VAL A 9 -1.000 -24.555 1.840 1.00 10.32 H new ATOM 157 N ASP A 10 -1.283 -23.140 5.693 1.00 23.21 N ATOM 158 CA ASP A 10 -1.490 -23.888 6.928 1.00 75.24 C ATOM 159 C ASP A 10 -2.781 -24.698 6.861 1.00 35.25 C ATOM 160 O ASP A 10 -3.596 -24.513 5.957 1.00 33.42 O ATOM 161 CB ASP A 10 -1.531 -22.937 8.125 1.00 54.04 C ATOM 162 CG ASP A 10 -2.757 -22.044 8.113 1.00 22.43 C ATOM 163 OD1 ASP A 10 -3.850 -22.534 8.466 1.00 50.14 O ATOM 164 OD2 ASP A 10 -2.623 -20.857 7.751 1.00 3.52 O ATOM 0 H ASP A 10 -1.938 -22.371 5.551 1.00 23.21 H new ATOM 0 HA ASP A 10 -0.655 -24.578 7.051 1.00 75.24 H new ATOM 0 HB2 ASP A 10 -1.517 -23.518 9.047 1.00 54.04 H new ATOM 0 HB3 ASP A 10 -0.634 -22.318 8.124 1.00 54.04 H new ATOM 169 N ASP A 11 -2.960 -25.596 7.824 1.00 33.10 N ATOM 170 CA ASP A 11 -4.152 -26.435 7.875 1.00 12.24 C ATOM 171 C ASP A 11 -4.995 -26.107 9.104 1.00 24.22 C ATOM 172 O ASP A 11 -5.745 -26.950 9.598 1.00 45.24 O ATOM 173 CB ASP A 11 -3.761 -27.913 7.889 1.00 31.41 C ATOM 174 CG ASP A 11 -4.601 -28.743 6.938 1.00 21.21 C ATOM 175 OD1 ASP A 11 -5.843 -28.628 6.989 1.00 11.13 O ATOM 176 OD2 ASP A 11 -4.016 -29.509 6.143 1.00 1.21 O ATOM 0 H ASP A 11 -2.295 -25.762 8.580 1.00 33.10 H new ATOM 0 HA ASP A 11 -4.747 -26.233 6.984 1.00 12.24 H new ATOM 0 HB2 ASP A 11 -2.709 -28.010 7.620 1.00 31.41 H new ATOM 0 HB3 ASP A 11 -3.868 -28.305 8.900 1.00 31.41 H new ATOM 181 N ASP A 12 -4.865 -24.879 9.594 1.00 61.23 N ATOM 182 CA ASP A 12 -5.614 -24.440 10.765 1.00 12.12 C ATOM 183 C ASP A 12 -6.471 -23.221 10.437 1.00 72.43 C ATOM 184 O ASP A 12 -6.159 -22.459 9.522 1.00 3.45 O ATOM 185 CB ASP A 12 -4.659 -24.113 11.914 1.00 14.54 C ATOM 186 CG ASP A 12 -4.813 -25.065 13.084 1.00 12.20 C ATOM 187 OD1 ASP A 12 -4.623 -26.283 12.887 1.00 64.35 O ATOM 188 OD2 ASP A 12 -5.123 -24.591 14.197 1.00 33.50 O ATOM 0 H ASP A 12 -4.248 -24.170 9.198 1.00 61.23 H new ATOM 0 HA ASP A 12 -6.273 -25.253 11.070 1.00 12.12 H new ATOM 0 HB2 ASP A 12 -3.632 -24.151 11.551 1.00 14.54 H new ATOM 0 HB3 ASP A 12 -4.839 -23.093 12.253 1.00 14.54 H new ATOM 193 N SER A 13 -7.554 -23.046 11.188 1.00 44.32 N ATOM 194 CA SER A 13 -8.459 -21.923 10.973 1.00 2.32 C ATOM 195 C SER A 13 -7.861 -20.631 11.522 1.00 40.44 C ATOM 196 O SER A 13 -7.856 -19.601 10.847 1.00 3.12 O ATOM 197 CB SER A 13 -9.810 -22.195 11.638 1.00 62.14 C ATOM 198 OG SER A 13 -10.879 -21.765 10.814 1.00 53.34 O ATOM 0 H SER A 13 -7.826 -23.667 11.950 1.00 44.32 H new ATOM 0 HA SER A 13 -8.607 -21.808 9.899 1.00 2.32 H new ATOM 0 HB2 SER A 13 -9.910 -23.261 11.843 1.00 62.14 H new ATOM 0 HB3 SER A 13 -9.857 -21.681 12.598 1.00 62.14 H new ATOM 0 HG SER A 13 -11.731 -21.951 11.260 1.00 53.34 H new ATOM 204 N SER A 14 -7.358 -20.694 12.750 1.00 1.53 N ATOM 205 CA SER A 14 -6.761 -19.528 13.392 1.00 23.44 C ATOM 206 C SER A 14 -5.398 -19.212 12.784 1.00 25.35 C ATOM 207 O SER A 14 -5.092 -18.057 12.487 1.00 65.33 O ATOM 208 CB SER A 14 -6.618 -19.766 14.897 1.00 51.00 C ATOM 209 OG SER A 14 -7.306 -20.939 15.295 1.00 22.25 O ATOM 0 H SER A 14 -7.352 -21.539 13.321 1.00 1.53 H new ATOM 0 HA SER A 14 -7.420 -18.675 13.227 1.00 23.44 H new ATOM 0 HB2 SER A 14 -5.563 -19.854 15.156 1.00 51.00 H new ATOM 0 HB3 SER A 14 -7.010 -18.908 15.443 1.00 51.00 H new ATOM 0 HG SER A 14 -7.198 -21.070 16.260 1.00 22.25 H new ATOM 215 N ILE A 15 -4.583 -20.247 12.604 1.00 53.44 N ATOM 216 CA ILE A 15 -3.253 -20.080 12.031 1.00 75.25 C ATOM 217 C ILE A 15 -3.307 -19.262 10.745 1.00 74.23 C ATOM 218 O ILE A 15 -2.474 -18.384 10.520 1.00 61.50 O ATOM 219 CB ILE A 15 -2.594 -21.440 11.733 1.00 33.03 C ATOM 220 CG1 ILE A 15 -2.395 -22.229 13.029 1.00 1.22 C ATOM 221 CG2 ILE A 15 -1.266 -21.240 11.019 1.00 51.11 C ATOM 222 CD1 ILE A 15 -1.564 -21.497 14.060 1.00 34.12 C ATOM 0 H ILE A 15 -4.821 -21.209 12.847 1.00 53.44 H new ATOM 0 HA ILE A 15 -2.655 -19.549 12.772 1.00 75.25 H new ATOM 0 HB ILE A 15 -3.253 -22.011 11.079 1.00 33.03 H new ATOM 0 HG12 ILE A 15 -3.370 -22.460 13.458 1.00 1.22 H new ATOM 0 HG13 ILE A 15 -1.916 -23.180 12.796 1.00 1.22 H new ATOM 0 HG21 ILE A 15 -0.813 -22.210 10.815 1.00 51.11 H new ATOM 0 HG22 ILE A 15 -1.434 -20.713 10.079 1.00 51.11 H new ATOM 0 HG23 ILE A 15 -0.599 -20.653 11.650 1.00 51.11 H new ATOM 0 HD11 ILE A 15 -1.464 -22.115 14.952 1.00 34.12 H new ATOM 0 HD12 ILE A 15 -0.576 -21.289 13.650 1.00 34.12 H new ATOM 0 HD13 ILE A 15 -2.053 -20.559 14.322 1.00 34.12 H new ATOM 234 N ARG A 16 -4.295 -19.555 9.905 1.00 64.15 N ATOM 235 CA ARG A 16 -4.458 -18.846 8.641 1.00 31.30 C ATOM 236 C ARG A 16 -5.140 -17.498 8.858 1.00 65.41 C ATOM 237 O ARG A 16 -4.983 -16.577 8.057 1.00 0.20 O ATOM 238 CB ARG A 16 -5.274 -19.690 7.660 1.00 20.42 C ATOM 239 CG ARG A 16 -6.768 -19.419 7.720 1.00 73.11 C ATOM 240 CD ARG A 16 -7.572 -20.615 7.234 1.00 65.41 C ATOM 241 NE ARG A 16 -8.923 -20.629 7.788 1.00 25.44 N ATOM 242 CZ ARG A 16 -9.868 -21.477 7.399 1.00 31.20 C ATOM 243 NH1 ARG A 16 -9.611 -22.376 6.458 1.00 11.44 N ATOM 244 NH2 ARG A 16 -11.074 -21.428 7.951 1.00 4.12 N ATOM 0 H ARG A 16 -4.994 -20.278 10.077 1.00 64.15 H new ATOM 0 HA ARG A 16 -3.467 -18.670 8.222 1.00 31.30 H new ATOM 0 HB2 ARG A 16 -4.919 -19.499 6.647 1.00 20.42 H new ATOM 0 HB3 ARG A 16 -5.096 -20.745 7.867 1.00 20.42 H new ATOM 0 HG2 ARG A 16 -7.054 -19.179 8.744 1.00 73.11 H new ATOM 0 HG3 ARG A 16 -7.005 -18.548 7.110 1.00 73.11 H new ATOM 0 HD2 ARG A 16 -7.627 -20.596 6.146 1.00 65.41 H new ATOM 0 HD3 ARG A 16 -7.057 -21.535 7.512 1.00 65.41 H new ATOM 0 HE ARG A 16 -9.153 -19.950 8.514 1.00 25.44 H new ATOM 0 HH11 ARG A 16 -8.686 -22.417 6.031 1.00 11.44 H new ATOM 0 HH12 ARG A 16 -10.339 -23.026 6.161 1.00 11.44 H new ATOM 0 HH21 ARG A 16 -11.276 -20.738 8.675 1.00 4.12 H new ATOM 0 HH22 ARG A 16 -11.799 -22.080 7.651 1.00 4.12 H new ATOM 258 N TRP A 17 -5.895 -17.392 9.945 1.00 55.04 N ATOM 259 CA TRP A 17 -6.601 -16.157 10.266 1.00 14.23 C ATOM 260 C TRP A 17 -5.637 -15.101 10.795 1.00 13.31 C ATOM 261 O TRP A 17 -5.485 -14.033 10.202 1.00 45.11 O ATOM 262 CB TRP A 17 -7.698 -16.426 11.298 1.00 73.02 C ATOM 263 CG TRP A 17 -8.199 -15.184 11.971 1.00 43.23 C ATOM 264 CD1 TRP A 17 -8.920 -14.175 11.398 1.00 63.20 C ATOM 265 CD2 TRP A 17 -8.013 -14.818 13.343 1.00 74.35 C ATOM 266 NE1 TRP A 17 -9.194 -13.205 12.331 1.00 2.42 N ATOM 267 CE2 TRP A 17 -8.650 -13.576 13.532 1.00 4.22 C ATOM 268 CE3 TRP A 17 -7.374 -15.420 14.430 1.00 71.45 C ATOM 269 CZ2 TRP A 17 -8.662 -12.927 14.764 1.00 53.21 C ATOM 270 CZ3 TRP A 17 -7.387 -14.775 15.651 1.00 14.32 C ATOM 271 CH2 TRP A 17 -8.028 -13.539 15.811 1.00 74.02 C ATOM 0 H TRP A 17 -6.034 -18.145 10.619 1.00 55.04 H new ATOM 0 HA TRP A 17 -7.057 -15.780 9.351 1.00 14.23 H new ATOM 0 HB2 TRP A 17 -8.533 -16.927 10.808 1.00 73.02 H new ATOM 0 HB3 TRP A 17 -7.315 -17.111 12.054 1.00 73.02 H new ATOM 0 HD1 TRP A 17 -9.229 -14.145 10.364 1.00 63.20 H new ATOM 0 HE1 TRP A 17 -9.718 -12.347 12.158 1.00 2.42 H new ATOM 0 HE3 TRP A 17 -6.879 -16.373 14.317 1.00 71.45 H new ATOM 0 HZ2 TRP A 17 -9.154 -11.974 14.889 1.00 53.21 H new ATOM 0 HZ3 TRP A 17 -6.895 -15.231 16.497 1.00 14.32 H new ATOM 0 HH2 TRP A 17 -8.021 -13.060 16.779 1.00 74.02 H new ATOM 282 N VAL A 18 -4.988 -15.405 11.914 1.00 31.44 N ATOM 283 CA VAL A 18 -4.037 -14.482 12.522 1.00 33.22 C ATOM 284 C VAL A 18 -3.053 -13.947 11.488 1.00 31.22 C ATOM 285 O VAL A 18 -2.810 -12.742 11.412 1.00 63.13 O ATOM 286 CB VAL A 18 -3.251 -15.156 13.663 1.00 73.15 C ATOM 287 CG1 VAL A 18 -2.807 -16.552 13.253 1.00 51.01 C ATOM 288 CG2 VAL A 18 -2.057 -14.303 14.062 1.00 24.31 C ATOM 0 H VAL A 18 -5.103 -16.284 12.418 1.00 31.44 H new ATOM 0 HA VAL A 18 -4.616 -13.654 12.930 1.00 33.22 H new ATOM 0 HB VAL A 18 -3.907 -15.249 14.528 1.00 73.15 H new ATOM 0 HG11 VAL A 18 -2.253 -17.013 14.071 1.00 51.01 H new ATOM 0 HG12 VAL A 18 -3.682 -17.159 13.020 1.00 51.01 H new ATOM 0 HG13 VAL A 18 -2.167 -16.486 12.373 1.00 51.01 H new ATOM 0 HG21 VAL A 18 -1.513 -14.794 14.869 1.00 24.31 H new ATOM 0 HG22 VAL A 18 -1.397 -14.177 13.204 1.00 24.31 H new ATOM 0 HG23 VAL A 18 -2.404 -13.326 14.400 1.00 24.31 H new ATOM 298 N LEU A 19 -2.490 -14.850 10.693 1.00 24.24 N ATOM 299 CA LEU A 19 -1.531 -14.470 9.662 1.00 40.43 C ATOM 300 C LEU A 19 -2.194 -13.605 8.594 1.00 34.32 C ATOM 301 O LEU A 19 -1.525 -12.851 7.889 1.00 20.12 O ATOM 302 CB LEU A 19 -0.922 -15.717 9.019 1.00 50.24 C ATOM 303 CG LEU A 19 0.605 -15.803 9.034 1.00 14.41 C ATOM 304 CD1 LEU A 19 1.063 -17.219 8.721 1.00 12.41 C ATOM 305 CD2 LEU A 19 1.204 -14.815 8.044 1.00 4.21 C ATOM 0 H LEU A 19 -2.681 -15.851 10.743 1.00 24.24 H new ATOM 0 HA LEU A 19 -0.739 -13.889 10.134 1.00 40.43 H new ATOM 0 HB2 LEU A 19 -1.320 -16.595 9.528 1.00 50.24 H new ATOM 0 HB3 LEU A 19 -1.259 -15.769 7.984 1.00 50.24 H new ATOM 0 HG LEU A 19 0.955 -15.543 10.033 1.00 14.41 H new ATOM 0 HD11 LEU A 19 2.152 -17.261 8.736 1.00 12.41 H new ATOM 0 HD12 LEU A 19 0.663 -17.904 9.468 1.00 12.41 H new ATOM 0 HD13 LEU A 19 0.702 -17.508 7.734 1.00 12.41 H new ATOM 0 HD21 LEU A 19 2.291 -14.890 8.068 1.00 4.21 H new ATOM 0 HD22 LEU A 19 0.847 -15.044 7.040 1.00 4.21 H new ATOM 0 HD23 LEU A 19 0.904 -13.802 8.314 1.00 4.21 H new ATOM 317 N GLU A 20 -3.514 -13.720 8.483 1.00 12.12 N ATOM 318 CA GLU A 20 -4.267 -12.947 7.502 1.00 35.44 C ATOM 319 C GLU A 20 -4.399 -11.492 7.941 1.00 44.42 C ATOM 320 O GLU A 20 -4.329 -10.577 7.120 1.00 2.52 O ATOM 321 CB GLU A 20 -5.656 -13.557 7.298 1.00 40.13 C ATOM 322 CG GLU A 20 -5.972 -13.877 5.846 1.00 31.35 C ATOM 323 CD GLU A 20 -7.358 -14.465 5.667 1.00 33.35 C ATOM 324 OE1 GLU A 20 -8.081 -14.600 6.677 1.00 52.24 O ATOM 325 OE2 GLU A 20 -7.720 -14.791 4.517 1.00 10.41 O ATOM 0 H GLU A 20 -4.083 -14.340 9.059 1.00 12.12 H new ATOM 0 HA GLU A 20 -3.722 -12.976 6.558 1.00 35.44 H new ATOM 0 HB2 GLU A 20 -5.733 -14.470 7.888 1.00 40.13 H new ATOM 0 HB3 GLU A 20 -6.407 -12.866 7.681 1.00 40.13 H new ATOM 0 HG2 GLU A 20 -5.887 -12.968 5.251 1.00 31.35 H new ATOM 0 HG3 GLU A 20 -5.231 -14.579 5.463 1.00 31.35 H new ATOM 332 N ARG A 21 -4.590 -11.286 9.240 1.00 44.02 N ATOM 333 CA ARG A 21 -4.732 -9.943 9.788 1.00 54.52 C ATOM 334 C ARG A 21 -3.392 -9.214 9.798 1.00 63.02 C ATOM 335 O ARG A 21 -3.320 -8.022 9.502 1.00 2.43 O ATOM 336 CB ARG A 21 -5.302 -10.005 11.206 1.00 25.14 C ATOM 337 CG ARG A 21 -6.600 -10.788 11.308 1.00 55.15 C ATOM 338 CD ARG A 21 -7.156 -10.765 12.723 1.00 24.40 C ATOM 339 NE ARG A 21 -7.067 -9.438 13.325 1.00 41.32 N ATOM 340 CZ ARG A 21 -6.040 -9.033 14.063 1.00 4.41 C ATOM 341 NH1 ARG A 21 -5.019 -9.848 14.289 1.00 20.11 N ATOM 342 NH2 ARG A 21 -6.032 -7.809 14.577 1.00 64.15 N ATOM 0 H ARG A 21 -4.650 -12.033 9.932 1.00 44.02 H new ATOM 0 HA ARG A 21 -5.422 -9.390 9.151 1.00 54.52 H new ATOM 0 HB2 ARG A 21 -4.562 -10.457 11.866 1.00 25.14 H new ATOM 0 HB3 ARG A 21 -5.471 -8.990 11.565 1.00 25.14 H new ATOM 0 HG2 ARG A 21 -7.334 -10.368 10.621 1.00 55.15 H new ATOM 0 HG3 ARG A 21 -6.429 -11.820 11.000 1.00 55.15 H new ATOM 0 HD2 ARG A 21 -8.197 -11.087 12.708 1.00 24.40 H new ATOM 0 HD3 ARG A 21 -6.610 -11.480 13.339 1.00 24.40 H new ATOM 0 HE ARG A 21 -7.836 -8.786 13.170 1.00 41.32 H new ATOM 0 HH11 ARG A 21 -5.021 -10.789 13.896 1.00 20.11 H new ATOM 0 HH12 ARG A 21 -4.232 -9.534 14.856 1.00 20.11 H new ATOM 0 HH21 ARG A 21 -6.815 -7.179 14.405 1.00 64.15 H new ATOM 0 HH22 ARG A 21 -5.243 -7.499 15.144 1.00 64.15 H new ATOM 356 N ALA A 22 -2.332 -9.940 10.140 1.00 13.22 N ATOM 357 CA ALA A 22 -0.994 -9.363 10.187 1.00 33.43 C ATOM 358 C ALA A 22 -0.685 -8.590 8.910 1.00 5.12 C ATOM 359 O ALA A 22 -0.076 -7.520 8.952 1.00 3.14 O ATOM 360 CB ALA A 22 0.043 -10.454 10.411 1.00 74.23 C ATOM 0 H ALA A 22 -2.374 -10.928 10.388 1.00 13.22 H new ATOM 0 HA ALA A 22 -0.955 -8.663 11.022 1.00 33.43 H new ATOM 0 HB1 ALA A 22 1.038 -10.009 10.444 1.00 74.23 H new ATOM 0 HB2 ALA A 22 -0.160 -10.960 11.355 1.00 74.23 H new ATOM 0 HB3 ALA A 22 -0.005 -11.175 9.595 1.00 74.23 H new ATOM 366 N LEU A 23 -1.106 -9.137 7.776 1.00 72.34 N ATOM 367 CA LEU A 23 -0.873 -8.499 6.485 1.00 50.50 C ATOM 368 C LEU A 23 -1.953 -7.463 6.187 1.00 5.11 C ATOM 369 O LEU A 23 -1.667 -6.387 5.662 1.00 64.42 O ATOM 370 CB LEU A 23 -0.837 -9.549 5.373 1.00 0.42 C ATOM 371 CG LEU A 23 -0.104 -10.849 5.702 1.00 21.52 C ATOM 372 CD1 LEU A 23 -0.383 -11.902 4.641 1.00 63.42 C ATOM 373 CD2 LEU A 23 1.392 -10.601 5.830 1.00 61.14 C ATOM 0 H LEU A 23 -1.611 -10.022 7.724 1.00 72.34 H new ATOM 0 HA LEU A 23 0.091 -7.991 6.527 1.00 50.50 H new ATOM 0 HB2 LEU A 23 -1.863 -9.793 5.098 1.00 0.42 H new ATOM 0 HB3 LEU A 23 -0.369 -9.104 4.495 1.00 0.42 H new ATOM 0 HG LEU A 23 -0.473 -11.220 6.658 1.00 21.52 H new ATOM 0 HD11 LEU A 23 0.147 -12.821 4.892 1.00 63.42 H new ATOM 0 HD12 LEU A 23 -1.454 -12.101 4.599 1.00 63.42 H new ATOM 0 HD13 LEU A 23 -0.043 -11.540 3.671 1.00 63.42 H new ATOM 0 HD21 LEU A 23 1.897 -11.538 6.064 1.00 61.14 H new ATOM 0 HD22 LEU A 23 1.777 -10.206 4.890 1.00 61.14 H new ATOM 0 HD23 LEU A 23 1.574 -9.881 6.628 1.00 61.14 H new ATOM 385 N ALA A 24 -3.193 -7.794 6.528 1.00 35.33 N ATOM 386 CA ALA A 24 -4.315 -6.891 6.301 1.00 31.44 C ATOM 387 C ALA A 24 -4.030 -5.507 6.873 1.00 44.20 C ATOM 388 O ALA A 24 -4.237 -4.494 6.206 1.00 60.22 O ATOM 389 CB ALA A 24 -5.586 -7.465 6.911 1.00 3.42 C ATOM 0 H ALA A 24 -3.447 -8.681 6.963 1.00 35.33 H new ATOM 0 HA ALA A 24 -4.455 -6.789 5.225 1.00 31.44 H new ATOM 0 HB1 ALA A 24 -6.416 -6.781 6.734 1.00 3.42 H new ATOM 0 HB2 ALA A 24 -5.807 -8.429 6.452 1.00 3.42 H new ATOM 0 HB3 ALA A 24 -5.447 -7.597 7.984 1.00 3.42 H new ATOM 395 N GLY A 25 -3.553 -5.470 8.114 1.00 62.43 N ATOM 396 CA GLY A 25 -3.248 -4.204 8.754 1.00 24.53 C ATOM 397 C GLY A 25 -1.849 -3.716 8.435 1.00 4.24 C ATOM 398 O GLY A 25 -1.438 -2.648 8.890 1.00 73.24 O ATOM 0 H GLY A 25 -3.373 -6.294 8.687 1.00 62.43 H new ATOM 0 HA2 GLY A 25 -3.973 -3.455 8.435 1.00 24.53 H new ATOM 0 HA3 GLY A 25 -3.355 -4.311 9.833 1.00 24.53 H new ATOM 402 N ALA A 26 -1.114 -4.500 7.653 1.00 4.52 N ATOM 403 CA ALA A 26 0.247 -4.140 7.274 1.00 62.30 C ATOM 404 C ALA A 26 0.282 -3.510 5.886 1.00 70.11 C ATOM 405 O ALA A 26 1.297 -2.951 5.473 1.00 52.52 O ATOM 406 CB ALA A 26 1.149 -5.365 7.323 1.00 42.34 C ATOM 0 H ALA A 26 -1.438 -5.388 7.270 1.00 4.52 H new ATOM 0 HA ALA A 26 0.614 -3.403 7.988 1.00 62.30 H new ATOM 0 HB1 ALA A 26 2.162 -5.082 7.038 1.00 42.34 H new ATOM 0 HB2 ALA A 26 1.157 -5.771 8.335 1.00 42.34 H new ATOM 0 HB3 ALA A 26 0.775 -6.120 6.632 1.00 42.34 H new ATOM 412 N GLY A 27 -0.834 -3.605 5.169 1.00 30.53 N ATOM 413 CA GLY A 27 -0.909 -3.041 3.835 1.00 51.25 C ATOM 414 C GLY A 27 -0.318 -3.958 2.783 1.00 70.43 C ATOM 415 O GLY A 27 0.268 -3.496 1.803 1.00 41.10 O ATOM 0 H GLY A 27 -1.687 -4.063 5.489 1.00 30.53 H new ATOM 0 HA2 GLY A 27 -1.951 -2.835 3.589 1.00 51.25 H new ATOM 0 HA3 GLY A 27 -0.383 -2.087 3.817 1.00 51.25 H new ATOM 419 N LEU A 28 -0.470 -5.262 2.985 1.00 62.50 N ATOM 420 CA LEU A 28 0.055 -6.248 2.047 1.00 61.54 C ATOM 421 C LEU A 28 -0.955 -7.366 1.809 1.00 34.23 C ATOM 422 O LEU A 28 -1.649 -7.798 2.731 1.00 25.11 O ATOM 423 CB LEU A 28 1.367 -6.834 2.572 1.00 34.45 C ATOM 424 CG LEU A 28 2.039 -6.062 3.708 1.00 31.43 C ATOM 425 CD1 LEU A 28 3.103 -6.918 4.378 1.00 2.42 C ATOM 426 CD2 LEU A 28 2.643 -4.766 3.188 1.00 62.43 C ATOM 0 H LEU A 28 -0.953 -5.661 3.790 1.00 62.50 H new ATOM 0 HA LEU A 28 0.243 -5.745 1.098 1.00 61.54 H new ATOM 0 HB2 LEU A 28 1.176 -7.851 2.914 1.00 34.45 H new ATOM 0 HB3 LEU A 28 2.069 -6.903 1.741 1.00 34.45 H new ATOM 0 HG LEU A 28 1.281 -5.813 4.451 1.00 31.43 H new ATOM 0 HD11 LEU A 28 3.571 -6.352 5.184 1.00 2.42 H new ATOM 0 HD12 LEU A 28 2.642 -7.818 4.786 1.00 2.42 H new ATOM 0 HD13 LEU A 28 3.859 -7.198 3.645 1.00 2.42 H new ATOM 0 HD21 LEU A 28 3.117 -4.230 4.010 1.00 62.43 H new ATOM 0 HD22 LEU A 28 3.388 -4.992 2.425 1.00 62.43 H new ATOM 0 HD23 LEU A 28 1.857 -4.146 2.756 1.00 62.43 H new ATOM 438 N THR A 29 -1.033 -7.833 0.567 1.00 51.12 N ATOM 439 CA THR A 29 -1.957 -8.901 0.208 1.00 54.00 C ATOM 440 C THR A 29 -1.848 -10.072 1.178 1.00 42.12 C ATOM 441 O THR A 29 -0.828 -10.242 1.848 1.00 53.04 O ATOM 442 CB THR A 29 -1.701 -9.409 -1.223 1.00 43.14 C ATOM 443 OG1 THR A 29 -1.517 -8.300 -2.111 1.00 23.31 O ATOM 444 CG2 THR A 29 -2.859 -10.267 -1.709 1.00 51.10 C ATOM 0 H THR A 29 -0.467 -7.488 -0.208 1.00 51.12 H new ATOM 0 HA THR A 29 -2.961 -8.481 0.262 1.00 54.00 H new ATOM 0 HB THR A 29 -0.798 -10.019 -1.212 1.00 43.14 H new ATOM 0 HG1 THR A 29 -1.385 -8.630 -3.024 1.00 23.31 H new ATOM 0 HG21 THR A 29 -2.655 -10.614 -2.722 1.00 51.10 H new ATOM 0 HG22 THR A 29 -2.978 -11.126 -1.048 1.00 51.10 H new ATOM 0 HG23 THR A 29 -3.776 -9.677 -1.705 1.00 51.10 H new ATOM 452 N CYS A 30 -2.902 -10.877 1.248 1.00 52.32 N ATOM 453 CA CYS A 30 -2.924 -12.033 2.137 1.00 50.12 C ATOM 454 C CYS A 30 -3.631 -13.213 1.477 1.00 0.53 C ATOM 455 O CYS A 30 -4.806 -13.126 1.119 1.00 50.50 O ATOM 456 CB CYS A 30 -3.618 -11.678 3.453 1.00 42.44 C ATOM 457 SG CYS A 30 -5.238 -10.901 3.247 1.00 44.03 S ATOM 0 H CYS A 30 -3.753 -10.751 0.700 1.00 52.32 H new ATOM 0 HA CYS A 30 -1.893 -12.320 2.345 1.00 50.12 H new ATOM 0 HB2 CYS A 30 -3.735 -12.585 4.046 1.00 42.44 H new ATOM 0 HB3 CYS A 30 -2.974 -11.006 4.021 1.00 42.44 H new ATOM 0 HG CYS A 30 -5.868 -11.466 2.260 1.00 44.03 H new ATOM 463 N THR A 31 -2.907 -14.316 1.318 1.00 62.11 N ATOM 464 CA THR A 31 -3.463 -15.512 0.699 1.00 70.51 C ATOM 465 C THR A 31 -3.280 -16.731 1.596 1.00 61.42 C ATOM 466 O THR A 31 -2.157 -17.179 1.832 1.00 12.24 O ATOM 467 CB THR A 31 -2.811 -15.793 -0.668 1.00 41.42 C ATOM 468 OG1 THR A 31 -2.691 -14.575 -1.412 1.00 62.23 O ATOM 469 CG2 THR A 31 -3.630 -16.799 -1.462 1.00 64.50 C ATOM 0 H THR A 31 -1.934 -14.406 1.610 1.00 62.11 H new ATOM 0 HA THR A 31 -4.527 -15.327 0.554 1.00 70.51 H new ATOM 0 HB THR A 31 -1.820 -16.212 -0.494 1.00 41.42 H new ATOM 0 HG1 THR A 31 -1.779 -14.228 -1.326 1.00 62.23 H new ATOM 0 HG21 THR A 31 -3.150 -16.981 -2.423 1.00 64.50 H new ATOM 0 HG22 THR A 31 -3.696 -17.734 -0.906 1.00 64.50 H new ATOM 0 HG23 THR A 31 -4.632 -16.403 -1.626 1.00 64.50 H new ATOM 477 N THR A 32 -4.391 -17.267 2.093 1.00 4.44 N ATOM 478 CA THR A 32 -4.352 -18.434 2.965 1.00 75.00 C ATOM 479 C THR A 32 -4.737 -19.699 2.207 1.00 73.14 C ATOM 480 O THR A 32 -5.777 -19.749 1.549 1.00 12.13 O ATOM 481 CB THR A 32 -5.295 -18.266 4.171 1.00 13.54 C ATOM 482 OG1 THR A 32 -6.622 -17.973 3.719 1.00 31.31 O ATOM 483 CG2 THR A 32 -4.809 -17.152 5.087 1.00 52.24 C ATOM 0 H THR A 32 -5.328 -16.911 1.906 1.00 4.44 H new ATOM 0 HA THR A 32 -3.327 -18.526 3.324 1.00 75.00 H new ATOM 0 HB THR A 32 -5.301 -19.200 4.732 1.00 13.54 H new ATOM 0 HG1 THR A 32 -6.780 -18.416 2.859 1.00 31.31 H new ATOM 0 HG21 THR A 32 -5.491 -17.052 5.932 1.00 52.24 H new ATOM 0 HG22 THR A 32 -3.811 -17.391 5.453 1.00 52.24 H new ATOM 0 HG23 THR A 32 -4.777 -16.214 4.533 1.00 52.24 H new ATOM 491 N PHE A 33 -3.893 -20.721 2.302 1.00 1.24 N ATOM 492 CA PHE A 33 -4.145 -21.987 1.625 1.00 70.14 C ATOM 493 C PHE A 33 -4.384 -23.106 2.634 1.00 34.10 C ATOM 494 O PHE A 33 -4.512 -22.857 3.832 1.00 21.53 O ATOM 495 CB PHE A 33 -2.967 -22.347 0.717 1.00 72.33 C ATOM 496 CG PHE A 33 -2.746 -21.364 -0.396 1.00 43.45 C ATOM 497 CD1 PHE A 33 -3.401 -21.509 -1.608 1.00 73.43 C ATOM 498 CD2 PHE A 33 -1.881 -20.293 -0.231 1.00 72.42 C ATOM 499 CE1 PHE A 33 -3.200 -20.606 -2.635 1.00 10.23 C ATOM 500 CE2 PHE A 33 -1.676 -19.386 -1.254 1.00 33.53 C ATOM 501 CZ PHE A 33 -2.336 -19.543 -2.457 1.00 65.53 C ATOM 0 H PHE A 33 -3.028 -20.697 2.842 1.00 1.24 H new ATOM 0 HA PHE A 33 -5.042 -21.873 1.017 1.00 70.14 H new ATOM 0 HB2 PHE A 33 -2.061 -22.411 1.319 1.00 72.33 H new ATOM 0 HB3 PHE A 33 -3.137 -23.335 0.290 1.00 72.33 H new ATOM 0 HD1 PHE A 33 -4.078 -22.338 -1.752 1.00 73.43 H new ATOM 0 HD2 PHE A 33 -1.362 -20.166 0.707 1.00 72.42 H new ATOM 0 HE1 PHE A 33 -3.717 -20.731 -3.575 1.00 10.23 H new ATOM 0 HE2 PHE A 33 -1.000 -18.555 -1.113 1.00 33.53 H new ATOM 0 HZ PHE A 33 -2.177 -18.836 -3.257 1.00 65.53 H new ATOM 511 N GLU A 34 -4.445 -24.338 2.139 1.00 23.52 N ATOM 512 CA GLU A 34 -4.670 -25.495 2.998 1.00 73.43 C ATOM 513 C GLU A 34 -4.232 -26.782 2.303 1.00 13.25 C ATOM 514 O GLU A 34 -5.051 -27.652 2.013 1.00 73.33 O ATOM 515 CB GLU A 34 -6.147 -25.590 3.386 1.00 54.01 C ATOM 516 CG GLU A 34 -7.094 -25.525 2.199 1.00 20.52 C ATOM 517 CD GLU A 34 -8.321 -26.397 2.384 1.00 61.35 C ATOM 518 OE1 GLU A 34 -8.794 -26.519 3.533 1.00 51.10 O ATOM 519 OE2 GLU A 34 -8.808 -26.958 1.379 1.00 4.35 O ATOM 0 H GLU A 34 -4.342 -24.561 1.149 1.00 23.52 H new ATOM 0 HA GLU A 34 -4.072 -25.368 3.900 1.00 73.43 H new ATOM 0 HB2 GLU A 34 -6.314 -26.524 3.922 1.00 54.01 H new ATOM 0 HB3 GLU A 34 -6.386 -24.780 4.075 1.00 54.01 H new ATOM 0 HG2 GLU A 34 -7.407 -24.492 2.044 1.00 20.52 H new ATOM 0 HG3 GLU A 34 -6.564 -25.836 1.299 1.00 20.52 H new ATOM 526 N ASN A 35 -2.934 -26.893 2.041 1.00 52.24 N ATOM 527 CA ASN A 35 -2.386 -28.072 1.379 1.00 13.44 C ATOM 528 C ASN A 35 -0.881 -27.929 1.173 1.00 74.41 C ATOM 529 O ASN A 35 -0.086 -28.548 1.879 1.00 51.21 O ATOM 530 CB ASN A 35 -3.078 -28.295 0.033 1.00 14.22 C ATOM 531 CG ASN A 35 -3.979 -29.515 0.042 1.00 53.35 C ATOM 532 OD1 ASN A 35 -4.385 -29.993 1.101 1.00 73.13 O ATOM 533 ND2 ASN A 35 -4.296 -30.024 -1.143 1.00 70.12 N ATOM 0 H ASN A 35 -2.242 -26.182 2.277 1.00 52.24 H new ATOM 0 HA ASN A 35 -2.567 -28.935 2.020 1.00 13.44 H new ATOM 0 HB2 ASN A 35 -3.667 -27.413 -0.220 1.00 14.22 H new ATOM 0 HB3 ASN A 35 -2.324 -28.409 -0.746 1.00 14.22 H new ATOM 0 HD21 ASN A 35 -4.899 -30.844 -1.201 1.00 70.12 H new ATOM 0 HD22 ASN A 35 -3.936 -29.594 -1.995 1.00 70.12 H new ATOM 540 N GLY A 36 -0.498 -27.109 0.199 1.00 1.13 N ATOM 541 CA GLY A 36 0.910 -26.900 -0.083 1.00 1.42 C ATOM 542 C GLY A 36 1.225 -26.991 -1.563 1.00 32.22 C ATOM 543 O GLY A 36 1.656 -26.014 -2.174 1.00 33.40 O ATOM 0 H GLY A 36 -1.137 -26.586 -0.399 1.00 1.13 H new ATOM 0 HA2 GLY A 36 1.210 -25.921 0.290 1.00 1.42 H new ATOM 0 HA3 GLY A 36 1.499 -27.641 0.457 1.00 1.42 H new ATOM 547 N ASN A 37 1.011 -28.169 -2.140 1.00 35.11 N ATOM 548 CA ASN A 37 1.277 -28.385 -3.557 1.00 75.35 C ATOM 549 C ASN A 37 0.451 -27.433 -4.417 1.00 43.33 C ATOM 550 O ASN A 37 0.779 -27.187 -5.578 1.00 20.14 O ATOM 551 CB ASN A 37 0.967 -29.834 -3.941 1.00 1.14 C ATOM 552 CG ASN A 37 -0.499 -30.178 -3.763 1.00 21.53 C ATOM 553 OD1 ASN A 37 -1.139 -29.740 -2.807 1.00 75.30 O ATOM 554 ND2 ASN A 37 -1.037 -30.968 -4.685 1.00 52.21 N ATOM 0 H ASN A 37 0.654 -28.988 -1.648 1.00 35.11 H new ATOM 0 HA ASN A 37 2.334 -28.186 -3.737 1.00 75.35 H new ATOM 0 HB2 ASN A 37 1.253 -30.001 -4.979 1.00 1.14 H new ATOM 0 HB3 ASN A 37 1.572 -30.506 -3.332 1.00 1.14 H new ATOM 0 HD21 ASN A 37 -2.019 -31.235 -4.618 1.00 52.21 H new ATOM 0 HD22 ASN A 37 -0.468 -31.308 -5.461 1.00 52.21 H new ATOM 561 N GLU A 38 -0.620 -26.899 -3.839 1.00 32.54 N ATOM 562 CA GLU A 38 -1.492 -25.974 -4.553 1.00 31.15 C ATOM 563 C GLU A 38 -0.929 -24.556 -4.514 1.00 21.32 C ATOM 564 O GLU A 38 -1.357 -23.685 -5.271 1.00 61.44 O ATOM 565 CB GLU A 38 -2.897 -25.993 -3.948 1.00 35.03 C ATOM 566 CG GLU A 38 -3.316 -27.356 -3.423 1.00 60.31 C ATOM 567 CD GLU A 38 -3.265 -28.433 -4.490 1.00 55.40 C ATOM 568 OE1 GLU A 38 -3.122 -28.081 -5.680 1.00 21.21 O ATOM 569 OE2 GLU A 38 -3.370 -29.625 -4.136 1.00 23.32 O ATOM 0 H GLU A 38 -0.905 -27.091 -2.879 1.00 32.54 H new ATOM 0 HA GLU A 38 -1.547 -26.296 -5.593 1.00 31.15 H new ATOM 0 HB2 GLU A 38 -2.942 -25.270 -3.134 1.00 35.03 H new ATOM 0 HB3 GLU A 38 -3.613 -25.668 -4.703 1.00 35.03 H new ATOM 0 HG2 GLU A 38 -2.665 -27.638 -2.596 1.00 60.31 H new ATOM 0 HG3 GLU A 38 -4.329 -27.292 -3.024 1.00 60.31 H new ATOM 576 N VAL A 39 0.034 -24.332 -3.625 1.00 34.32 N ATOM 577 CA VAL A 39 0.657 -23.021 -3.487 1.00 35.34 C ATOM 578 C VAL A 39 1.840 -22.872 -4.436 1.00 22.42 C ATOM 579 O VAL A 39 2.086 -21.792 -4.975 1.00 20.42 O ATOM 580 CB VAL A 39 1.136 -22.777 -2.043 1.00 60.14 C ATOM 581 CG1 VAL A 39 1.431 -21.302 -1.821 1.00 13.41 C ATOM 582 CG2 VAL A 39 0.102 -23.279 -1.047 1.00 0.12 C ATOM 0 H VAL A 39 0.399 -25.042 -2.990 1.00 34.32 H new ATOM 0 HA VAL A 39 -0.102 -22.281 -3.740 1.00 35.34 H new ATOM 0 HB VAL A 39 2.059 -23.335 -1.885 1.00 60.14 H new ATOM 0 HG11 VAL A 39 1.768 -21.149 -0.796 1.00 13.41 H new ATOM 0 HG12 VAL A 39 2.210 -20.979 -2.511 1.00 13.41 H new ATOM 0 HG13 VAL A 39 0.527 -20.720 -1.997 1.00 13.41 H new ATOM 0 HG21 VAL A 39 0.457 -23.099 -0.032 1.00 0.12 H new ATOM 0 HG22 VAL A 39 -0.839 -22.751 -1.202 1.00 0.12 H new ATOM 0 HG23 VAL A 39 -0.054 -24.348 -1.192 1.00 0.12 H new ATOM 592 N LEU A 40 2.571 -23.963 -4.637 1.00 31.42 N ATOM 593 CA LEU A 40 3.730 -23.955 -5.522 1.00 61.45 C ATOM 594 C LEU A 40 3.375 -23.354 -6.879 1.00 21.24 C ATOM 595 O LEU A 40 4.139 -22.570 -7.440 1.00 65.23 O ATOM 596 CB LEU A 40 4.266 -25.376 -5.706 1.00 60.32 C ATOM 597 CG LEU A 40 4.909 -25.681 -7.060 1.00 23.35 C ATOM 598 CD1 LEU A 40 6.065 -24.730 -7.328 1.00 10.23 C ATOM 599 CD2 LEU A 40 5.383 -27.127 -7.111 1.00 52.54 C ATOM 0 H LEU A 40 2.381 -24.864 -4.199 1.00 31.42 H new ATOM 0 HA LEU A 40 4.502 -23.338 -5.063 1.00 61.45 H new ATOM 0 HB2 LEU A 40 5.002 -25.569 -4.925 1.00 60.32 H new ATOM 0 HB3 LEU A 40 3.445 -26.076 -5.550 1.00 60.32 H new ATOM 0 HG LEU A 40 4.159 -25.537 -7.838 1.00 23.35 H new ATOM 0 HD11 LEU A 40 6.510 -24.962 -8.296 1.00 10.23 H new ATOM 0 HD12 LEU A 40 5.698 -23.704 -7.334 1.00 10.23 H new ATOM 0 HD13 LEU A 40 6.817 -24.842 -6.547 1.00 10.23 H new ATOM 0 HD21 LEU A 40 5.838 -27.327 -8.081 1.00 52.54 H new ATOM 0 HD22 LEU A 40 6.118 -27.297 -6.324 1.00 52.54 H new ATOM 0 HD23 LEU A 40 4.533 -27.794 -6.964 1.00 52.54 H new ATOM 611 N ALA A 41 2.210 -23.726 -7.398 1.00 14.30 N ATOM 612 CA ALA A 41 1.751 -23.220 -8.686 1.00 2.11 C ATOM 613 C ALA A 41 1.321 -21.761 -8.581 1.00 52.20 C ATOM 614 O ALA A 41 1.416 -21.005 -9.547 1.00 44.32 O ATOM 615 CB ALA A 41 0.606 -24.074 -9.211 1.00 4.50 C ATOM 0 H ALA A 41 1.567 -24.376 -6.947 1.00 14.30 H new ATOM 0 HA ALA A 41 2.583 -23.276 -9.388 1.00 2.11 H new ATOM 0 HB1 ALA A 41 0.273 -23.685 -10.173 1.00 4.50 H new ATOM 0 HB2 ALA A 41 0.946 -25.102 -9.333 1.00 4.50 H new ATOM 0 HB3 ALA A 41 -0.222 -24.047 -8.503 1.00 4.50 H new ATOM 621 N ALA A 42 0.846 -21.372 -7.402 1.00 71.02 N ATOM 622 CA ALA A 42 0.402 -20.003 -7.171 1.00 40.03 C ATOM 623 C ALA A 42 1.538 -19.012 -7.401 1.00 54.54 C ATOM 624 O ALA A 42 1.311 -17.884 -7.844 1.00 23.42 O ATOM 625 CB ALA A 42 -0.150 -19.858 -5.761 1.00 32.01 C ATOM 0 H ALA A 42 0.759 -21.986 -6.592 1.00 71.02 H new ATOM 0 HA ALA A 42 -0.391 -19.779 -7.884 1.00 40.03 H new ATOM 0 HB1 ALA A 42 -0.478 -18.831 -5.602 1.00 32.01 H new ATOM 0 HB2 ALA A 42 -0.996 -20.533 -5.630 1.00 32.01 H new ATOM 0 HB3 ALA A 42 0.628 -20.106 -5.039 1.00 32.01 H new ATOM 631 N LEU A 43 2.759 -19.437 -7.098 1.00 72.21 N ATOM 632 CA LEU A 43 3.931 -18.586 -7.271 1.00 52.04 C ATOM 633 C LEU A 43 4.221 -18.353 -8.751 1.00 20.54 C ATOM 634 O LEU A 43 4.752 -17.311 -9.133 1.00 23.33 O ATOM 635 CB LEU A 43 5.149 -19.217 -6.594 1.00 75.11 C ATOM 636 CG LEU A 43 4.863 -20.058 -5.349 1.00 65.13 C ATOM 637 CD1 LEU A 43 6.163 -20.521 -4.709 1.00 32.21 C ATOM 638 CD2 LEU A 43 4.027 -19.269 -4.353 1.00 21.05 C ATOM 0 H LEU A 43 2.964 -20.366 -6.731 1.00 72.21 H new ATOM 0 HA LEU A 43 3.722 -17.623 -6.804 1.00 52.04 H new ATOM 0 HB2 LEU A 43 5.660 -19.845 -7.323 1.00 75.11 H new ATOM 0 HB3 LEU A 43 5.840 -18.420 -6.319 1.00 75.11 H new ATOM 0 HG LEU A 43 4.296 -20.939 -5.650 1.00 65.13 H new ATOM 0 HD11 LEU A 43 5.941 -21.118 -3.825 1.00 32.21 H new ATOM 0 HD12 LEU A 43 6.725 -21.124 -5.422 1.00 32.21 H new ATOM 0 HD13 LEU A 43 6.756 -19.653 -4.421 1.00 32.21 H new ATOM 0 HD21 LEU A 43 3.833 -19.883 -3.474 1.00 21.05 H new ATOM 0 HD22 LEU A 43 4.567 -18.370 -4.056 1.00 21.05 H new ATOM 0 HD23 LEU A 43 3.081 -18.988 -4.815 1.00 21.05 H new ATOM 650 N ALA A 44 3.867 -19.331 -9.579 1.00 14.24 N ATOM 651 CA ALA A 44 4.085 -19.231 -11.016 1.00 40.23 C ATOM 652 C ALA A 44 3.047 -18.323 -11.667 1.00 71.35 C ATOM 653 O ALA A 44 3.099 -18.069 -12.871 1.00 14.43 O ATOM 654 CB ALA A 44 4.054 -20.613 -11.652 1.00 50.32 C ATOM 0 H ALA A 44 3.428 -20.201 -9.278 1.00 14.24 H new ATOM 0 HA ALA A 44 5.068 -18.790 -11.180 1.00 40.23 H new ATOM 0 HB1 ALA A 44 4.218 -20.523 -12.726 1.00 50.32 H new ATOM 0 HB2 ALA A 44 4.838 -21.232 -11.216 1.00 50.32 H new ATOM 0 HB3 ALA A 44 3.084 -21.075 -11.471 1.00 50.32 H new ATOM 660 N SER A 45 2.105 -17.839 -10.865 1.00 14.30 N ATOM 661 CA SER A 45 1.051 -16.963 -11.365 1.00 2.23 C ATOM 662 C SER A 45 0.918 -15.720 -10.490 1.00 40.33 C ATOM 663 O SER A 45 -0.141 -15.095 -10.436 1.00 13.41 O ATOM 664 CB SER A 45 -0.282 -17.711 -11.414 1.00 15.21 C ATOM 665 OG SER A 45 -0.820 -17.710 -12.725 1.00 43.32 O ATOM 0 H SER A 45 2.049 -18.038 -9.866 1.00 14.30 H new ATOM 0 HA SER A 45 1.321 -16.649 -12.373 1.00 2.23 H new ATOM 0 HB2 SER A 45 -0.139 -18.738 -11.077 1.00 15.21 H new ATOM 0 HB3 SER A 45 -0.989 -17.246 -10.727 1.00 15.21 H new ATOM 0 HG SER A 45 -1.671 -18.196 -12.730 1.00 43.32 H new ATOM 671 N LYS A 46 2.001 -15.366 -9.807 1.00 21.45 N ATOM 672 CA LYS A 46 2.009 -14.198 -8.935 1.00 14.34 C ATOM 673 C LYS A 46 3.369 -14.027 -8.266 1.00 12.42 C ATOM 674 O LYS A 46 3.901 -12.919 -8.192 1.00 4.43 O ATOM 675 CB LYS A 46 0.917 -14.323 -7.870 1.00 31.45 C ATOM 676 CG LYS A 46 -0.004 -13.118 -7.797 1.00 52.24 C ATOM 677 CD LYS A 46 0.348 -12.216 -6.626 1.00 44.05 C ATOM 678 CE LYS A 46 -0.849 -11.990 -5.716 1.00 72.34 C ATOM 679 NZ LYS A 46 -1.574 -10.734 -6.054 1.00 44.22 N ATOM 0 H LYS A 46 2.886 -15.872 -9.841 1.00 21.45 H new ATOM 0 HA LYS A 46 1.812 -13.318 -9.547 1.00 14.34 H new ATOM 0 HB2 LYS A 46 0.322 -15.213 -8.075 1.00 31.45 H new ATOM 0 HB3 LYS A 46 1.386 -14.471 -6.897 1.00 31.45 H new ATOM 0 HG2 LYS A 46 0.062 -12.552 -8.726 1.00 52.24 H new ATOM 0 HG3 LYS A 46 -1.037 -13.454 -7.701 1.00 52.24 H new ATOM 0 HD2 LYS A 46 1.162 -12.662 -6.054 1.00 44.05 H new ATOM 0 HD3 LYS A 46 0.708 -11.257 -6.999 1.00 44.05 H new ATOM 0 HE2 LYS A 46 -1.531 -12.836 -5.797 1.00 72.34 H new ATOM 0 HE3 LYS A 46 -0.514 -11.948 -4.679 1.00 72.34 H new ATOM 0 HZ1 LYS A 46 -2.383 -10.616 -5.411 1.00 44.22 H new ATOM 0 HZ2 LYS A 46 -0.930 -9.924 -5.952 1.00 44.22 H new ATOM 0 HZ3 LYS A 46 -1.916 -10.784 -7.035 1.00 44.22 H new ATOM 693 N THR A 47 3.928 -15.131 -7.781 1.00 11.13 N ATOM 694 CA THR A 47 5.226 -15.103 -7.119 1.00 30.04 C ATOM 695 C THR A 47 5.245 -14.080 -5.988 1.00 73.52 C ATOM 696 O THR A 47 5.546 -12.903 -6.188 1.00 74.54 O ATOM 697 CB THR A 47 6.356 -14.774 -8.112 1.00 23.11 C ATOM 698 OG1 THR A 47 5.814 -14.575 -9.422 1.00 44.23 O ATOM 699 CG2 THR A 47 7.387 -15.892 -8.149 1.00 30.44 C ATOM 0 H THR A 47 3.502 -16.056 -7.834 1.00 11.13 H new ATOM 0 HA THR A 47 5.392 -16.099 -6.708 1.00 30.04 H new ATOM 0 HB THR A 47 6.847 -13.860 -7.779 1.00 23.11 H new ATOM 0 HG1 THR A 47 5.398 -15.406 -9.733 1.00 44.23 H new ATOM 0 HG21 THR A 47 8.175 -15.637 -8.857 1.00 30.44 H new ATOM 0 HG22 THR A 47 7.819 -16.022 -7.157 1.00 30.44 H new ATOM 0 HG23 THR A 47 6.907 -16.820 -8.460 1.00 30.44 H new ATOM 707 N PRO A 48 4.917 -14.537 -4.770 1.00 74.25 N ATOM 708 CA PRO A 48 4.890 -13.678 -3.583 1.00 53.44 C ATOM 709 C PRO A 48 6.286 -13.242 -3.151 1.00 72.13 C ATOM 710 O PRO A 48 7.285 -13.834 -3.559 1.00 21.40 O ATOM 711 CB PRO A 48 4.253 -14.569 -2.514 1.00 71.13 C ATOM 712 CG PRO A 48 4.550 -15.961 -2.955 1.00 50.34 C ATOM 713 CD PRO A 48 4.547 -15.928 -4.459 1.00 21.13 C ATOM 0 HA PRO A 48 4.346 -12.751 -3.763 1.00 53.44 H new ATOM 0 HB2 PRO A 48 4.674 -14.368 -1.529 1.00 71.13 H new ATOM 0 HB3 PRO A 48 3.179 -14.397 -2.443 1.00 71.13 H new ATOM 0 HG2 PRO A 48 5.515 -16.294 -2.574 1.00 50.34 H new ATOM 0 HG3 PRO A 48 3.801 -16.658 -2.578 1.00 50.34 H new ATOM 0 HD2 PRO A 48 5.261 -16.637 -4.878 1.00 21.13 H new ATOM 0 HD3 PRO A 48 3.568 -16.184 -4.865 1.00 21.13 H new ATOM 721 N ASP A 49 6.347 -12.204 -2.324 1.00 61.42 N ATOM 722 CA ASP A 49 7.621 -11.690 -1.835 1.00 63.54 C ATOM 723 C ASP A 49 8.162 -12.563 -0.707 1.00 2.11 C ATOM 724 O ASP A 49 9.339 -12.481 -0.354 1.00 52.11 O ATOM 725 CB ASP A 49 7.462 -10.249 -1.351 1.00 12.35 C ATOM 726 CG ASP A 49 8.555 -9.338 -1.874 1.00 54.41 C ATOM 727 OD1 ASP A 49 9.735 -9.580 -1.548 1.00 63.14 O ATOM 728 OD2 ASP A 49 8.229 -8.381 -2.609 1.00 30.42 O ATOM 0 H ASP A 49 5.529 -11.702 -1.978 1.00 61.42 H new ATOM 0 HA ASP A 49 8.334 -11.711 -2.659 1.00 63.54 H new ATOM 0 HB2 ASP A 49 6.492 -9.867 -1.669 1.00 12.35 H new ATOM 0 HB3 ASP A 49 7.470 -10.232 -0.261 1.00 12.35 H new ATOM 733 N VAL A 50 7.295 -13.398 -0.143 1.00 52.33 N ATOM 734 CA VAL A 50 7.685 -14.285 0.945 1.00 20.54 C ATOM 735 C VAL A 50 6.507 -15.134 1.412 1.00 64.15 C ATOM 736 O VAL A 50 5.369 -14.666 1.452 1.00 34.54 O ATOM 737 CB VAL A 50 8.239 -13.493 2.144 1.00 22.25 C ATOM 738 CG1 VAL A 50 7.262 -12.406 2.564 1.00 34.11 C ATOM 739 CG2 VAL A 50 8.541 -14.428 3.306 1.00 10.33 C ATOM 0 H VAL A 50 6.317 -13.478 -0.422 1.00 52.33 H new ATOM 0 HA VAL A 50 8.468 -14.937 0.556 1.00 20.54 H new ATOM 0 HB VAL A 50 9.170 -13.014 1.841 1.00 22.25 H new ATOM 0 HG11 VAL A 50 7.671 -11.857 3.412 1.00 34.11 H new ATOM 0 HG12 VAL A 50 7.101 -11.720 1.732 1.00 34.11 H new ATOM 0 HG13 VAL A 50 6.313 -12.860 2.849 1.00 34.11 H new ATOM 0 HG21 VAL A 50 8.932 -13.852 4.145 1.00 10.33 H new ATOM 0 HG22 VAL A 50 7.627 -14.937 3.610 1.00 10.33 H new ATOM 0 HG23 VAL A 50 9.281 -15.166 2.997 1.00 10.33 H new ATOM 749 N LEU A 51 6.789 -16.384 1.763 1.00 54.11 N ATOM 750 CA LEU A 51 5.752 -17.300 2.228 1.00 43.45 C ATOM 751 C LEU A 51 5.925 -17.610 3.711 1.00 12.50 C ATOM 752 O LEU A 51 6.961 -17.306 4.303 1.00 1.44 O ATOM 753 CB LEU A 51 5.789 -18.596 1.416 1.00 34.04 C ATOM 754 CG LEU A 51 4.467 -19.026 0.778 1.00 2.41 C ATOM 755 CD1 LEU A 51 4.701 -19.558 -0.627 1.00 44.32 C ATOM 756 CD2 LEU A 51 3.775 -20.073 1.638 1.00 12.43 C ATOM 0 H LEU A 51 7.726 -16.787 1.735 1.00 54.11 H new ATOM 0 HA LEU A 51 4.785 -16.818 2.088 1.00 43.45 H new ATOM 0 HB2 LEU A 51 6.532 -18.485 0.626 1.00 34.04 H new ATOM 0 HB3 LEU A 51 6.134 -19.399 2.067 1.00 34.04 H new ATOM 0 HG LEU A 51 3.817 -18.153 0.711 1.00 2.41 H new ATOM 0 HD11 LEU A 51 3.749 -19.859 -1.065 1.00 44.32 H new ATOM 0 HD12 LEU A 51 5.153 -18.779 -1.241 1.00 44.32 H new ATOM 0 HD13 LEU A 51 5.369 -20.418 -0.584 1.00 44.32 H new ATOM 0 HD21 LEU A 51 2.836 -20.367 1.168 1.00 12.43 H new ATOM 0 HD22 LEU A 51 4.420 -20.946 1.738 1.00 12.43 H new ATOM 0 HD23 LEU A 51 3.572 -19.657 2.625 1.00 12.43 H new ATOM 768 N LEU A 52 4.904 -18.218 4.305 1.00 3.35 N ATOM 769 CA LEU A 52 4.943 -18.572 5.720 1.00 3.32 C ATOM 770 C LEU A 52 4.335 -19.951 5.953 1.00 0.14 C ATOM 771 O LEU A 52 3.229 -20.072 6.480 1.00 51.53 O ATOM 772 CB LEU A 52 4.196 -17.525 6.549 1.00 71.33 C ATOM 773 CG LEU A 52 5.033 -16.354 7.063 1.00 11.33 C ATOM 774 CD1 LEU A 52 5.235 -15.320 5.967 1.00 51.34 C ATOM 775 CD2 LEU A 52 4.374 -15.721 8.280 1.00 33.23 C ATOM 0 H LEU A 52 4.039 -18.476 3.829 1.00 3.35 H new ATOM 0 HA LEU A 52 5.986 -18.598 6.034 1.00 3.32 H new ATOM 0 HB2 LEU A 52 3.382 -17.126 5.945 1.00 71.33 H new ATOM 0 HB3 LEU A 52 3.742 -18.025 7.405 1.00 71.33 H new ATOM 0 HG LEU A 52 6.010 -16.734 7.360 1.00 11.33 H new ATOM 0 HD11 LEU A 52 5.833 -14.494 6.352 1.00 51.34 H new ATOM 0 HD12 LEU A 52 5.751 -15.780 5.124 1.00 51.34 H new ATOM 0 HD13 LEU A 52 4.266 -14.944 5.638 1.00 51.34 H new ATOM 0 HD21 LEU A 52 4.984 -14.889 8.632 1.00 33.23 H new ATOM 0 HD22 LEU A 52 3.384 -15.356 8.009 1.00 33.23 H new ATOM 0 HD23 LEU A 52 4.282 -16.464 9.072 1.00 33.23 H new ATOM 787 N SER A 53 5.066 -20.989 5.560 1.00 43.21 N ATOM 788 CA SER A 53 4.598 -22.360 5.725 1.00 43.04 C ATOM 789 C SER A 53 4.393 -22.690 7.200 1.00 62.51 C ATOM 790 O SER A 53 5.259 -22.423 8.034 1.00 53.25 O ATOM 791 CB SER A 53 5.596 -23.340 5.105 1.00 43.13 C ATOM 792 OG SER A 53 5.569 -24.588 5.775 1.00 73.11 O ATOM 0 H SER A 53 5.985 -20.907 5.125 1.00 43.21 H new ATOM 0 HA SER A 53 3.640 -22.455 5.213 1.00 43.04 H new ATOM 0 HB2 SER A 53 5.361 -23.485 4.051 1.00 43.13 H new ATOM 0 HB3 SER A 53 6.601 -22.920 5.153 1.00 43.13 H new ATOM 0 HG SER A 53 6.214 -25.197 5.359 1.00 73.11 H new ATOM 798 N ASP A 54 3.242 -23.274 7.514 1.00 12.33 N ATOM 799 CA ASP A 54 2.922 -23.642 8.888 1.00 33.54 C ATOM 800 C ASP A 54 3.282 -25.100 9.158 1.00 62.11 C ATOM 801 O ASP A 54 3.555 -25.482 10.296 1.00 5.43 O ATOM 802 CB ASP A 54 1.436 -23.411 9.168 1.00 32.51 C ATOM 803 CG ASP A 54 0.957 -24.152 10.401 1.00 11.34 C ATOM 804 OD1 ASP A 54 1.667 -24.116 11.428 1.00 43.34 O ATOM 805 OD2 ASP A 54 -0.128 -24.768 10.340 1.00 1.12 O ATOM 0 H ASP A 54 2.515 -23.503 6.836 1.00 12.33 H new ATOM 0 HA ASP A 54 3.512 -23.011 9.553 1.00 33.54 H new ATOM 0 HB2 ASP A 54 1.255 -22.344 9.296 1.00 32.51 H new ATOM 0 HB3 ASP A 54 0.852 -23.732 8.305 1.00 32.51 H new ATOM 810 N ILE A 55 3.279 -25.909 8.104 1.00 25.41 N ATOM 811 CA ILE A 55 3.606 -27.325 8.228 1.00 42.54 C ATOM 812 C ILE A 55 2.601 -28.045 9.120 1.00 51.04 C ATOM 813 O ILE A 55 2.826 -28.210 10.319 1.00 62.24 O ATOM 814 CB ILE A 55 5.021 -27.528 8.800 1.00 4.31 C ATOM 815 CG1 ILE A 55 6.050 -26.771 7.957 1.00 72.33 C ATOM 816 CG2 ILE A 55 5.362 -29.009 8.857 1.00 31.42 C ATOM 817 CD1 ILE A 55 7.446 -26.801 8.537 1.00 44.20 C ATOM 0 H ILE A 55 3.054 -25.609 7.155 1.00 25.41 H new ATOM 0 HA ILE A 55 3.565 -27.747 7.224 1.00 42.54 H new ATOM 0 HB ILE A 55 5.047 -27.130 9.814 1.00 4.31 H new ATOM 0 HG12 ILE A 55 6.072 -27.199 6.955 1.00 72.33 H new ATOM 0 HG13 ILE A 55 5.731 -25.734 7.853 1.00 72.33 H new ATOM 0 HG21 ILE A 55 6.365 -29.136 9.264 1.00 31.42 H new ATOM 0 HG22 ILE A 55 4.644 -29.523 9.496 1.00 31.42 H new ATOM 0 HG23 ILE A 55 5.321 -29.431 7.853 1.00 31.42 H new ATOM 0 HD11 ILE A 55 8.122 -26.245 7.887 1.00 44.20 H new ATOM 0 HD12 ILE A 55 7.438 -26.346 9.527 1.00 44.20 H new ATOM 0 HD13 ILE A 55 7.785 -27.834 8.615 1.00 44.20 H new ATOM 829 N ARG A 56 1.492 -28.473 8.526 1.00 73.32 N ATOM 830 CA ARG A 56 0.452 -29.177 9.266 1.00 34.23 C ATOM 831 C ARG A 56 -0.313 -30.132 8.355 1.00 72.33 C ATOM 832 O ARG A 56 -1.533 -30.258 8.455 1.00 53.12 O ATOM 833 CB ARG A 56 -0.516 -28.178 9.903 1.00 51.23 C ATOM 834 CG ARG A 56 -0.819 -28.469 11.363 1.00 32.14 C ATOM 835 CD ARG A 56 -0.279 -27.377 12.273 1.00 52.41 C ATOM 836 NE ARG A 56 0.363 -27.924 13.465 1.00 72.42 N ATOM 837 CZ ARG A 56 1.189 -27.230 14.239 1.00 20.14 C ATOM 838 NH1 ARG A 56 1.472 -25.968 13.949 1.00 53.31 N ATOM 839 NH2 ARG A 56 1.734 -27.798 15.307 1.00 20.54 N ATOM 0 H ARG A 56 1.291 -28.344 7.534 1.00 73.32 H new ATOM 0 HA ARG A 56 0.932 -29.759 10.052 1.00 34.23 H new ATOM 0 HB2 ARG A 56 -0.096 -27.175 9.821 1.00 51.23 H new ATOM 0 HB3 ARG A 56 -1.449 -28.180 9.340 1.00 51.23 H new ATOM 0 HG2 ARG A 56 -1.896 -28.559 11.501 1.00 32.14 H new ATOM 0 HG3 ARG A 56 -0.381 -29.427 11.643 1.00 32.14 H new ATOM 0 HD2 ARG A 56 0.438 -26.768 11.722 1.00 52.41 H new ATOM 0 HD3 ARG A 56 -1.094 -26.718 12.571 1.00 52.41 H new ATOM 0 HE ARG A 56 0.166 -28.893 13.717 1.00 72.42 H new ATOM 0 HH11 ARG A 56 1.055 -25.527 13.129 1.00 53.31 H new ATOM 0 HH12 ARG A 56 2.107 -25.438 14.546 1.00 53.31 H new ATOM 0 HH21 ARG A 56 1.519 -28.769 15.534 1.00 20.54 H new ATOM 0 HH22 ARG A 56 2.368 -27.264 15.901 1.00 20.54 H new ATOM 853 N MET A 57 0.413 -30.802 7.466 1.00 72.41 N ATOM 854 CA MET A 57 -0.198 -31.747 6.537 1.00 4.50 C ATOM 855 C MET A 57 0.194 -33.180 6.883 1.00 12.30 C ATOM 856 O MET A 57 1.315 -33.457 7.310 1.00 12.42 O ATOM 857 CB MET A 57 0.220 -31.424 5.101 1.00 73.11 C ATOM 858 CG MET A 57 0.450 -29.942 4.853 1.00 21.12 C ATOM 859 SD MET A 57 2.167 -29.454 5.110 1.00 53.33 S ATOM 860 CE MET A 57 2.263 -27.998 4.071 1.00 2.41 C ATOM 0 H MET A 57 1.424 -30.709 7.369 1.00 72.41 H new ATOM 0 HA MET A 57 -1.281 -31.655 6.623 1.00 4.50 H new ATOM 0 HB2 MET A 57 1.134 -31.969 4.866 1.00 73.11 H new ATOM 0 HB3 MET A 57 -0.550 -31.783 4.418 1.00 73.11 H new ATOM 0 HG2 MET A 57 0.156 -29.698 3.832 1.00 21.12 H new ATOM 0 HG3 MET A 57 -0.192 -29.362 5.517 1.00 21.12 H new ATOM 0 HE1 MET A 57 3.211 -27.489 4.244 1.00 2.41 H new ATOM 0 HE2 MET A 57 2.196 -28.293 3.024 1.00 2.41 H new ATOM 0 HE3 MET A 57 1.441 -27.324 4.312 1.00 2.41 H new ATOM 870 N PRO A 58 -0.750 -34.114 6.695 1.00 15.34 N ATOM 871 CA PRO A 58 -0.527 -35.534 6.981 1.00 1.15 C ATOM 872 C PRO A 58 0.444 -36.178 5.997 1.00 10.35 C ATOM 873 O PRO A 58 1.397 -36.844 6.397 1.00 25.34 O ATOM 874 CB PRO A 58 -1.921 -36.149 6.837 1.00 52.34 C ATOM 875 CG PRO A 58 -2.645 -35.232 5.911 1.00 21.43 C ATOM 876 CD PRO A 58 -2.109 -33.855 6.189 1.00 21.31 C ATOM 0 HA PRO A 58 -0.079 -35.686 7.963 1.00 1.15 H new ATOM 0 HB2 PRO A 58 -1.868 -37.160 6.432 1.00 52.34 H new ATOM 0 HB3 PRO A 58 -2.425 -36.218 7.801 1.00 52.34 H new ATOM 0 HG2 PRO A 58 -2.476 -35.514 4.872 1.00 21.43 H new ATOM 0 HG3 PRO A 58 -3.721 -35.274 6.082 1.00 21.43 H new ATOM 0 HD2 PRO A 58 -2.092 -33.241 5.289 1.00 21.31 H new ATOM 0 HD3 PRO A 58 -2.718 -33.328 6.923 1.00 21.31 H new ATOM 884 N GLY A 59 0.195 -35.973 4.707 1.00 32.15 N ATOM 885 CA GLY A 59 1.056 -36.540 3.687 1.00 63.15 C ATOM 886 C GLY A 59 2.367 -35.791 3.553 1.00 64.12 C ATOM 887 O GLY A 59 3.437 -36.399 3.533 1.00 4.40 O ATOM 0 H GLY A 59 -0.588 -35.424 4.351 1.00 32.15 H new ATOM 0 HA2 GLY A 59 1.260 -37.583 3.927 1.00 63.15 H new ATOM 0 HA3 GLY A 59 0.535 -36.529 2.729 1.00 63.15 H new ATOM 891 N MET A 60 2.284 -34.468 3.459 1.00 23.01 N ATOM 892 CA MET A 60 3.474 -33.636 3.326 1.00 43.42 C ATOM 893 C MET A 60 4.036 -33.267 4.695 1.00 21.02 C ATOM 894 O MET A 60 3.295 -32.864 5.592 1.00 25.14 O ATOM 895 CB MET A 60 3.149 -32.366 2.537 1.00 71.04 C ATOM 896 CG MET A 60 3.223 -32.552 1.030 1.00 50.53 C ATOM 897 SD MET A 60 3.718 -31.047 0.168 1.00 13.21 S ATOM 898 CE MET A 60 2.266 -30.738 -0.834 1.00 51.23 C ATOM 0 H MET A 60 1.406 -33.949 3.472 1.00 23.01 H new ATOM 0 HA MET A 60 4.228 -34.209 2.786 1.00 43.42 H new ATOM 0 HB2 MET A 60 2.148 -32.028 2.805 1.00 71.04 H new ATOM 0 HB3 MET A 60 3.841 -31.577 2.832 1.00 71.04 H new ATOM 0 HG2 MET A 60 3.932 -33.348 0.800 1.00 50.53 H new ATOM 0 HG3 MET A 60 2.250 -32.875 0.659 1.00 50.53 H new ATOM 0 HE1 MET A 60 2.529 -30.081 -1.663 1.00 51.23 H new ATOM 0 HE2 MET A 60 1.887 -31.682 -1.226 1.00 51.23 H new ATOM 0 HE3 MET A 60 1.497 -30.263 -0.224 1.00 51.23 H new ATOM 908 N ASP A 61 5.348 -33.408 4.849 1.00 40.11 N ATOM 909 CA ASP A 61 6.009 -33.089 6.109 1.00 11.11 C ATOM 910 C ASP A 61 6.145 -31.580 6.284 1.00 4.43 C ATOM 911 O ASP A 61 6.610 -31.104 7.319 1.00 31.15 O ATOM 912 CB ASP A 61 7.388 -33.748 6.168 1.00 74.42 C ATOM 913 CG ASP A 61 7.624 -34.482 7.474 1.00 54.44 C ATOM 914 OD1 ASP A 61 7.100 -35.605 7.626 1.00 43.04 O ATOM 915 OD2 ASP A 61 8.331 -33.932 8.344 1.00 51.41 O ATOM 0 H ASP A 61 5.975 -33.741 4.117 1.00 40.11 H new ATOM 0 HA ASP A 61 5.395 -33.477 6.921 1.00 11.11 H new ATOM 0 HB2 ASP A 61 7.489 -34.447 5.338 1.00 74.42 H new ATOM 0 HB3 ASP A 61 8.157 -32.987 6.038 1.00 74.42 H new ATOM 920 N GLY A 62 5.738 -30.831 5.264 1.00 72.03 N ATOM 921 CA GLY A 62 5.824 -29.384 5.324 1.00 1.34 C ATOM 922 C GLY A 62 6.976 -28.837 4.505 1.00 53.44 C ATOM 923 O GLY A 62 6.798 -27.911 3.711 1.00 62.52 O ATOM 0 H GLY A 62 5.350 -31.201 4.396 1.00 72.03 H new ATOM 0 HA2 GLY A 62 4.890 -28.952 4.965 1.00 1.34 H new ATOM 0 HA3 GLY A 62 5.940 -29.073 6.362 1.00 1.34 H new ATOM 927 N LEU A 63 8.160 -29.407 4.697 1.00 71.03 N ATOM 928 CA LEU A 63 9.347 -28.970 3.970 1.00 53.23 C ATOM 929 C LEU A 63 9.404 -29.610 2.586 1.00 3.42 C ATOM 930 O LEU A 63 10.155 -29.167 1.718 1.00 42.14 O ATOM 931 CB LEU A 63 10.610 -29.319 4.759 1.00 73.24 C ATOM 932 CG LEU A 63 10.581 -30.645 5.519 1.00 35.34 C ATOM 933 CD1 LEU A 63 10.262 -31.795 4.576 1.00 4.01 C ATOM 934 CD2 LEU A 63 11.907 -30.884 6.226 1.00 70.10 C ATOM 0 H LEU A 63 8.324 -30.173 5.350 1.00 71.03 H new ATOM 0 HA LEU A 63 9.290 -27.888 3.848 1.00 53.23 H new ATOM 0 HB2 LEU A 63 11.453 -29.338 4.068 1.00 73.24 H new ATOM 0 HB3 LEU A 63 10.801 -28.518 5.473 1.00 73.24 H new ATOM 0 HG LEU A 63 9.795 -30.592 6.272 1.00 35.34 H new ATOM 0 HD11 LEU A 63 10.246 -32.730 5.135 1.00 4.01 H new ATOM 0 HD12 LEU A 63 9.287 -31.630 4.117 1.00 4.01 H new ATOM 0 HD13 LEU A 63 11.024 -31.850 3.799 1.00 4.01 H new ATOM 0 HD21 LEU A 63 11.868 -31.832 6.762 1.00 70.10 H new ATOM 0 HD22 LEU A 63 12.711 -30.916 5.491 1.00 70.10 H new ATOM 0 HD23 LEU A 63 12.093 -30.075 6.933 1.00 70.10 H new ATOM 946 N ALA A 64 8.604 -30.652 2.388 1.00 23.24 N ATOM 947 CA ALA A 64 8.561 -31.350 1.109 1.00 21.14 C ATOM 948 C ALA A 64 8.531 -30.364 -0.053 1.00 40.13 C ATOM 949 O ALA A 64 9.414 -30.374 -0.912 1.00 41.41 O ATOM 950 CB ALA A 64 7.353 -32.273 1.052 1.00 30.24 C ATOM 0 H ALA A 64 7.977 -31.032 3.097 1.00 23.24 H new ATOM 0 HA ALA A 64 9.467 -31.950 1.019 1.00 21.14 H new ATOM 0 HB1 ALA A 64 7.333 -32.788 0.091 1.00 30.24 H new ATOM 0 HB2 ALA A 64 7.417 -33.007 1.856 1.00 30.24 H new ATOM 0 HB3 ALA A 64 6.441 -31.687 1.168 1.00 30.24 H new ATOM 956 N LEU A 65 7.510 -29.514 -0.076 1.00 22.21 N ATOM 957 CA LEU A 65 7.365 -28.521 -1.135 1.00 33.15 C ATOM 958 C LEU A 65 8.277 -27.324 -0.887 1.00 52.22 C ATOM 959 O LEU A 65 8.635 -26.600 -1.817 1.00 64.23 O ATOM 960 CB LEU A 65 5.910 -28.057 -1.229 1.00 60.44 C ATOM 961 CG LEU A 65 5.502 -26.928 -0.282 1.00 63.24 C ATOM 962 CD1 LEU A 65 4.113 -26.417 -0.629 1.00 13.41 C ATOM 963 CD2 LEU A 65 5.554 -27.400 1.163 1.00 11.14 C ATOM 0 H LEU A 65 6.771 -29.492 0.626 1.00 22.21 H new ATOM 0 HA LEU A 65 7.654 -28.985 -2.078 1.00 33.15 H new ATOM 0 HB2 LEU A 65 5.719 -27.733 -2.252 1.00 60.44 H new ATOM 0 HB3 LEU A 65 5.264 -28.914 -1.040 1.00 60.44 H new ATOM 0 HG LEU A 65 6.208 -26.106 -0.400 1.00 63.24 H new ATOM 0 HD11 LEU A 65 3.839 -25.614 0.055 1.00 13.41 H new ATOM 0 HD12 LEU A 65 4.109 -26.040 -1.652 1.00 13.41 H new ATOM 0 HD13 LEU A 65 3.393 -27.231 -0.540 1.00 13.41 H new ATOM 0 HD21 LEU A 65 5.261 -26.584 1.823 1.00 11.14 H new ATOM 0 HD22 LEU A 65 4.870 -28.238 1.297 1.00 11.14 H new ATOM 0 HD23 LEU A 65 6.568 -27.717 1.406 1.00 11.14 H new ATOM 975 N LEU A 66 8.651 -27.122 0.371 1.00 13.34 N ATOM 976 CA LEU A 66 9.524 -26.013 0.742 1.00 73.14 C ATOM 977 C LEU A 66 10.927 -26.213 0.178 1.00 71.41 C ATOM 978 O LEU A 66 11.668 -25.252 -0.030 1.00 34.04 O ATOM 979 CB LEU A 66 9.588 -25.875 2.264 1.00 62.23 C ATOM 980 CG LEU A 66 9.571 -24.447 2.809 1.00 2.15 C ATOM 981 CD1 LEU A 66 10.577 -23.580 2.068 1.00 70.10 C ATOM 982 CD2 LEU A 66 8.174 -23.853 2.706 1.00 31.01 C ATOM 0 H LEU A 66 8.364 -27.712 1.152 1.00 13.34 H new ATOM 0 HA LEU A 66 9.109 -25.098 0.318 1.00 73.14 H new ATOM 0 HB2 LEU A 66 8.745 -26.417 2.694 1.00 62.23 H new ATOM 0 HB3 LEU A 66 10.495 -26.366 2.616 1.00 62.23 H new ATOM 0 HG LEU A 66 9.854 -24.477 3.861 1.00 2.15 H new ATOM 0 HD11 LEU A 66 10.550 -22.567 2.470 1.00 70.10 H new ATOM 0 HD12 LEU A 66 11.577 -23.994 2.194 1.00 70.10 H new ATOM 0 HD13 LEU A 66 10.326 -23.556 1.008 1.00 70.10 H new ATOM 0 HD21 LEU A 66 8.181 -22.836 3.099 1.00 31.01 H new ATOM 0 HD22 LEU A 66 7.862 -23.837 1.662 1.00 31.01 H new ATOM 0 HD23 LEU A 66 7.477 -24.460 3.284 1.00 31.01 H new ATOM 994 N LYS A 67 11.286 -27.468 -0.070 1.00 74.42 N ATOM 995 CA LYS A 67 12.598 -27.796 -0.614 1.00 23.34 C ATOM 996 C LYS A 67 12.739 -27.282 -2.043 1.00 24.42 C ATOM 997 O LYS A 67 13.841 -26.970 -2.493 1.00 3.31 O ATOM 998 CB LYS A 67 12.824 -29.310 -0.580 1.00 15.40 C ATOM 999 CG LYS A 67 13.096 -29.853 0.812 1.00 63.21 C ATOM 1000 CD LYS A 67 14.442 -29.384 1.340 1.00 73.21 C ATOM 1001 CE LYS A 67 15.589 -29.921 0.498 1.00 72.41 C ATOM 1002 NZ LYS A 67 16.877 -29.912 1.245 1.00 30.10 N ATOM 0 H LYS A 67 10.686 -28.275 0.097 1.00 74.42 H new ATOM 0 HA LYS A 67 13.352 -27.309 0.004 1.00 23.34 H new ATOM 0 HB2 LYS A 67 11.946 -29.809 -0.991 1.00 15.40 H new ATOM 0 HB3 LYS A 67 13.664 -29.558 -1.228 1.00 15.40 H new ATOM 0 HG2 LYS A 67 12.306 -29.531 1.490 1.00 63.21 H new ATOM 0 HG3 LYS A 67 13.072 -30.943 0.790 1.00 63.21 H new ATOM 0 HD2 LYS A 67 14.472 -28.294 1.345 1.00 73.21 H new ATOM 0 HD3 LYS A 67 14.563 -29.711 2.373 1.00 73.21 H new ATOM 0 HE2 LYS A 67 15.361 -30.938 0.180 1.00 72.41 H new ATOM 0 HE3 LYS A 67 15.689 -29.319 -0.405 1.00 72.41 H new ATOM 0 HZ1 LYS A 67 17.634 -30.285 0.637 1.00 30.10 H new ATOM 0 HZ2 LYS A 67 17.108 -28.938 1.527 1.00 30.10 H new ATOM 0 HZ3 LYS A 67 16.790 -30.507 2.094 1.00 30.10 H new ATOM 1016 N GLN A 68 11.617 -27.197 -2.750 1.00 0.24 N ATOM 1017 CA GLN A 68 11.617 -26.720 -4.127 1.00 41.35 C ATOM 1018 C GLN A 68 11.519 -25.199 -4.177 1.00 12.42 C ATOM 1019 O GLN A 68 11.923 -24.572 -5.157 1.00 62.50 O ATOM 1020 CB GLN A 68 10.457 -27.343 -4.905 1.00 72.13 C ATOM 1021 CG GLN A 68 9.181 -26.517 -4.861 1.00 44.13 C ATOM 1022 CD GLN A 68 7.931 -27.369 -4.956 1.00 51.42 C ATOM 1023 OE1 GLN A 68 7.908 -28.384 -5.653 1.00 5.32 O ATOM 1024 NE2 GLN A 68 6.881 -26.959 -4.254 1.00 72.10 N ATOM 0 H GLN A 68 10.697 -27.452 -2.392 1.00 0.24 H new ATOM 0 HA GLN A 68 12.558 -27.020 -4.588 1.00 41.35 H new ATOM 0 HB2 GLN A 68 10.758 -27.477 -5.944 1.00 72.13 H new ATOM 0 HB3 GLN A 68 10.252 -28.335 -4.503 1.00 72.13 H new ATOM 0 HG2 GLN A 68 9.156 -25.944 -3.934 1.00 44.13 H new ATOM 0 HG3 GLN A 68 9.189 -25.798 -5.680 1.00 44.13 H new ATOM 0 HE21 GLN A 68 6.944 -26.112 -3.690 1.00 72.10 H new ATOM 0 HE22 GLN A 68 6.011 -27.491 -4.279 1.00 72.10 H new ATOM 1033 N ILE A 69 10.979 -24.611 -3.114 1.00 42.34 N ATOM 1034 CA ILE A 69 10.829 -23.163 -3.037 1.00 51.01 C ATOM 1035 C ILE A 69 12.171 -22.461 -3.213 1.00 0.31 C ATOM 1036 O ILE A 69 12.234 -21.329 -3.695 1.00 23.44 O ATOM 1037 CB ILE A 69 10.209 -22.732 -1.695 1.00 31.33 C ATOM 1038 CG1 ILE A 69 8.755 -23.200 -1.606 1.00 53.02 C ATOM 1039 CG2 ILE A 69 10.296 -21.222 -1.531 1.00 62.22 C ATOM 1040 CD1 ILE A 69 8.076 -22.822 -0.308 1.00 64.11 C ATOM 0 H ILE A 69 10.638 -25.115 -2.295 1.00 42.34 H new ATOM 0 HA ILE A 69 10.160 -22.872 -3.847 1.00 51.01 H new ATOM 0 HB ILE A 69 10.771 -23.198 -0.886 1.00 31.33 H new ATOM 0 HG12 ILE A 69 8.193 -22.774 -2.438 1.00 53.02 H new ATOM 0 HG13 ILE A 69 8.723 -24.283 -1.721 1.00 53.02 H new ATOM 0 HG21 ILE A 69 9.854 -20.933 -0.578 1.00 62.22 H new ATOM 0 HG22 ILE A 69 11.341 -20.913 -1.554 1.00 62.22 H new ATOM 0 HG23 ILE A 69 9.756 -20.736 -2.344 1.00 62.22 H new ATOM 0 HD11 ILE A 69 7.049 -23.186 -0.315 1.00 64.11 H new ATOM 0 HD12 ILE A 69 8.614 -23.270 0.528 1.00 64.11 H new ATOM 0 HD13 ILE A 69 8.076 -21.737 -0.200 1.00 64.11 H new ATOM 1052 N LYS A 70 13.244 -23.140 -2.821 1.00 14.23 N ATOM 1053 CA LYS A 70 14.587 -22.584 -2.937 1.00 55.12 C ATOM 1054 C LYS A 70 15.134 -22.774 -4.348 1.00 73.12 C ATOM 1055 O LYS A 70 15.952 -21.984 -4.817 1.00 40.24 O ATOM 1056 CB LYS A 70 15.523 -23.243 -1.922 1.00 64.03 C ATOM 1057 CG LYS A 70 15.817 -22.374 -0.712 1.00 10.03 C ATOM 1058 CD LYS A 70 14.998 -22.802 0.494 1.00 32.42 C ATOM 1059 CE LYS A 70 14.464 -21.602 1.261 1.00 41.25 C ATOM 1060 NZ LYS A 70 13.313 -20.965 0.562 1.00 22.03 N ATOM 0 H LYS A 70 13.209 -24.077 -2.420 1.00 14.23 H new ATOM 0 HA LYS A 70 14.531 -21.515 -2.729 1.00 55.12 H new ATOM 0 HB2 LYS A 70 15.079 -24.180 -1.586 1.00 64.03 H new ATOM 0 HB3 LYS A 70 16.462 -23.494 -2.416 1.00 64.03 H new ATOM 0 HG2 LYS A 70 16.878 -22.431 -0.471 1.00 10.03 H new ATOM 0 HG3 LYS A 70 15.600 -21.333 -0.949 1.00 10.03 H new ATOM 0 HD2 LYS A 70 14.166 -23.425 0.167 1.00 32.42 H new ATOM 0 HD3 LYS A 70 15.613 -23.413 1.155 1.00 32.42 H new ATOM 0 HE2 LYS A 70 14.155 -21.916 2.258 1.00 41.25 H new ATOM 0 HE3 LYS A 70 15.261 -20.870 1.390 1.00 41.25 H new ATOM 0 HZ1 LYS A 70 12.978 -20.151 1.116 1.00 22.03 H new ATOM 0 HZ2 LYS A 70 13.614 -20.642 -0.380 1.00 22.03 H new ATOM 0 HZ3 LYS A 70 12.543 -21.656 0.461 1.00 22.03 H new ATOM 1074 N GLN A 71 14.675 -23.826 -5.019 1.00 41.11 N ATOM 1075 CA GLN A 71 15.119 -24.118 -6.377 1.00 30.01 C ATOM 1076 C GLN A 71 14.379 -23.251 -7.390 1.00 11.10 C ATOM 1077 O GLN A 71 14.975 -22.745 -8.341 1.00 12.51 O ATOM 1078 CB GLN A 71 14.903 -25.598 -6.700 1.00 15.54 C ATOM 1079 CG GLN A 71 15.982 -26.190 -7.591 1.00 53.15 C ATOM 1080 CD GLN A 71 17.184 -26.678 -6.807 1.00 50.34 C ATOM 1081 OE1 GLN A 71 17.167 -27.770 -6.238 1.00 42.45 O ATOM 1082 NE2 GLN A 71 18.237 -25.869 -6.773 1.00 73.05 N ATOM 0 H GLN A 71 13.997 -24.489 -4.645 1.00 41.11 H new ATOM 0 HA GLN A 71 16.183 -23.891 -6.441 1.00 30.01 H new ATOM 0 HB2 GLN A 71 14.863 -26.162 -5.768 1.00 15.54 H new ATOM 0 HB3 GLN A 71 13.935 -25.717 -7.187 1.00 15.54 H new ATOM 0 HG2 GLN A 71 15.563 -27.020 -8.160 1.00 53.15 H new ATOM 0 HG3 GLN A 71 16.304 -25.439 -8.313 1.00 53.15 H new ATOM 0 HE21 GLN A 71 18.207 -24.973 -7.259 1.00 73.05 H new ATOM 0 HE22 GLN A 71 19.075 -26.144 -6.261 1.00 73.05 H new ATOM 1091 N ARG A 72 13.077 -23.084 -7.180 1.00 22.51 N ATOM 1092 CA ARG A 72 12.255 -22.280 -8.076 1.00 5.21 C ATOM 1093 C ARG A 72 12.332 -20.802 -7.704 1.00 2.02 C ATOM 1094 O ARG A 72 12.175 -19.927 -8.556 1.00 71.22 O ATOM 1095 CB ARG A 72 10.801 -22.753 -8.032 1.00 4.03 C ATOM 1096 CG ARG A 72 10.368 -23.506 -9.279 1.00 32.34 C ATOM 1097 CD ARG A 72 8.998 -23.051 -9.756 1.00 52.03 C ATOM 1098 NE ARG A 72 8.273 -24.120 -10.438 1.00 51.33 N ATOM 1099 CZ ARG A 72 7.037 -23.987 -10.907 1.00 0.31 C ATOM 1100 NH1 ARG A 72 6.392 -22.837 -10.768 1.00 41.42 N ATOM 1101 NH2 ARG A 72 6.444 -25.005 -11.516 1.00 70.51 N ATOM 0 H ARG A 72 12.569 -23.495 -6.397 1.00 22.51 H new ATOM 0 HA ARG A 72 12.639 -22.403 -9.089 1.00 5.21 H new ATOM 0 HB2 ARG A 72 10.663 -23.396 -7.163 1.00 4.03 H new ATOM 0 HB3 ARG A 72 10.151 -21.889 -7.895 1.00 4.03 H new ATOM 0 HG2 ARG A 72 11.100 -23.352 -10.071 1.00 32.34 H new ATOM 0 HG3 ARG A 72 10.345 -24.576 -9.070 1.00 32.34 H new ATOM 0 HD2 ARG A 72 8.414 -22.704 -8.904 1.00 52.03 H new ATOM 0 HD3 ARG A 72 9.112 -22.203 -10.431 1.00 52.03 H new ATOM 0 HE ARG A 72 8.741 -25.018 -10.561 1.00 51.33 H new ATOM 0 HH11 ARG A 72 6.845 -22.052 -10.300 1.00 41.42 H new ATOM 0 HH12 ARG A 72 5.443 -22.738 -11.129 1.00 41.42 H new ATOM 0 HH21 ARG A 72 6.937 -25.891 -11.625 1.00 70.51 H new ATOM 0 HH22 ARG A 72 5.495 -24.902 -11.876 1.00 70.51 H new ATOM 1115 N HIS A 73 12.575 -20.531 -6.425 1.00 55.32 N ATOM 1116 CA HIS A 73 12.672 -19.159 -5.940 1.00 2.31 C ATOM 1117 C HIS A 73 13.707 -19.050 -4.824 1.00 13.42 C ATOM 1118 O HIS A 73 13.373 -18.932 -3.644 1.00 61.15 O ATOM 1119 CB HIS A 73 11.311 -18.674 -5.439 1.00 22.51 C ATOM 1120 CG HIS A 73 10.175 -19.042 -6.343 1.00 11.31 C ATOM 1121 ND1 HIS A 73 9.842 -18.315 -7.467 1.00 21.24 N ATOM 1122 CD2 HIS A 73 9.293 -20.067 -6.285 1.00 23.21 C ATOM 1123 CE1 HIS A 73 8.804 -18.877 -8.060 1.00 12.23 C ATOM 1124 NE2 HIS A 73 8.452 -19.942 -7.363 1.00 32.12 N ATOM 0 H HIS A 73 12.708 -21.243 -5.707 1.00 55.32 H new ATOM 0 HA HIS A 73 12.990 -18.528 -6.770 1.00 2.31 H new ATOM 0 HB2 HIS A 73 11.127 -19.092 -4.449 1.00 22.51 H new ATOM 0 HB3 HIS A 73 11.339 -17.590 -5.327 1.00 22.51 H new ATOM 0 HD2 HIS A 73 9.257 -20.839 -5.531 1.00 23.21 H new ATOM 0 HE1 HIS A 73 8.325 -18.525 -8.962 1.00 12.23 H new ATOM 0 HE2 HIS A 73 7.681 -20.570 -7.589 1.00 32.12 H new ATOM 1132 N PRO A 74 14.993 -19.090 -5.202 1.00 51.11 N ATOM 1133 CA PRO A 74 16.102 -18.997 -4.248 1.00 71.31 C ATOM 1134 C PRO A 74 16.224 -17.607 -3.635 1.00 3.35 C ATOM 1135 O PRO A 74 16.434 -17.466 -2.430 1.00 55.00 O ATOM 1136 CB PRO A 74 17.332 -19.315 -5.102 1.00 71.11 C ATOM 1137 CG PRO A 74 16.936 -18.943 -6.489 1.00 43.13 C ATOM 1138 CD PRO A 74 15.463 -19.228 -6.591 1.00 24.44 C ATOM 0 HA PRO A 74 15.969 -19.670 -3.401 1.00 71.31 H new ATOM 0 HB2 PRO A 74 18.201 -18.746 -4.772 1.00 71.11 H new ATOM 0 HB3 PRO A 74 17.598 -20.370 -5.036 1.00 71.11 H new ATOM 0 HG2 PRO A 74 17.144 -17.891 -6.685 1.00 43.13 H new ATOM 0 HG3 PRO A 74 17.497 -19.521 -7.223 1.00 43.13 H new ATOM 0 HD2 PRO A 74 14.963 -18.525 -7.257 1.00 24.44 H new ATOM 0 HD3 PRO A 74 15.273 -20.227 -6.982 1.00 24.44 H new ATOM 1146 N MET A 75 16.092 -16.582 -4.471 1.00 30.32 N ATOM 1147 CA MET A 75 16.186 -15.202 -4.009 1.00 22.31 C ATOM 1148 C MET A 75 14.936 -14.803 -3.231 1.00 43.32 C ATOM 1149 O MET A 75 14.876 -13.720 -2.646 1.00 63.41 O ATOM 1150 CB MET A 75 16.386 -14.257 -5.195 1.00 65.54 C ATOM 1151 CG MET A 75 16.892 -12.880 -4.797 1.00 74.20 C ATOM 1152 SD MET A 75 16.177 -11.562 -5.799 1.00 3.14 S ATOM 1153 CE MET A 75 14.585 -11.359 -5.005 1.00 15.01 C ATOM 0 H MET A 75 15.920 -16.681 -5.471 1.00 30.32 H new ATOM 0 HA MET A 75 17.046 -15.126 -3.344 1.00 22.31 H new ATOM 0 HB2 MET A 75 17.093 -14.707 -5.892 1.00 65.54 H new ATOM 0 HB3 MET A 75 15.440 -14.148 -5.726 1.00 65.54 H new ATOM 0 HG2 MET A 75 16.659 -12.701 -3.747 1.00 74.20 H new ATOM 0 HG3 MET A 75 17.978 -12.855 -4.891 1.00 74.20 H new ATOM 0 HE1 MET A 75 13.860 -10.991 -5.732 1.00 15.01 H new ATOM 0 HE2 MET A 75 14.250 -12.319 -4.612 1.00 15.01 H new ATOM 0 HE3 MET A 75 14.675 -10.643 -4.188 1.00 15.01 H new ATOM 1163 N LEU A 76 13.940 -15.682 -3.229 1.00 3.22 N ATOM 1164 CA LEU A 76 12.691 -15.420 -2.523 1.00 32.44 C ATOM 1165 C LEU A 76 12.778 -15.882 -1.072 1.00 25.24 C ATOM 1166 O LEU A 76 12.906 -17.071 -0.780 1.00 25.45 O ATOM 1167 CB LEU A 76 11.528 -16.125 -3.225 1.00 5.44 C ATOM 1168 CG LEU A 76 10.228 -16.231 -2.427 1.00 50.24 C ATOM 1169 CD1 LEU A 76 9.659 -14.848 -2.148 1.00 73.52 C ATOM 1170 CD2 LEU A 76 9.214 -17.087 -3.172 1.00 40.33 C ATOM 0 H LEU A 76 13.973 -16.582 -3.708 1.00 3.22 H new ATOM 0 HA LEU A 76 12.516 -14.344 -2.533 1.00 32.44 H new ATOM 0 HB2 LEU A 76 11.318 -15.598 -4.155 1.00 5.44 H new ATOM 0 HB3 LEU A 76 11.849 -17.131 -3.494 1.00 5.44 H new ATOM 0 HG LEU A 76 10.447 -16.710 -1.473 1.00 50.24 H new ATOM 0 HD11 LEU A 76 8.734 -14.943 -1.579 1.00 73.52 H new ATOM 0 HD12 LEU A 76 10.380 -14.267 -1.573 1.00 73.52 H new ATOM 0 HD13 LEU A 76 9.454 -14.342 -3.091 1.00 73.52 H new ATOM 0 HD21 LEU A 76 8.295 -17.152 -2.590 1.00 40.33 H new ATOM 0 HD22 LEU A 76 8.999 -16.636 -4.141 1.00 40.33 H new ATOM 0 HD23 LEU A 76 9.621 -18.087 -3.320 1.00 40.33 H new ATOM 1182 N PRO A 77 12.706 -14.921 -0.139 1.00 0.11 N ATOM 1183 CA PRO A 77 12.772 -15.205 1.298 1.00 62.24 C ATOM 1184 C PRO A 77 11.528 -15.926 1.804 1.00 73.31 C ATOM 1185 O PRO A 77 10.405 -15.582 1.435 1.00 51.24 O ATOM 1186 CB PRO A 77 12.879 -13.815 1.930 1.00 60.13 C ATOM 1187 CG PRO A 77 12.251 -12.898 0.937 1.00 21.52 C ATOM 1188 CD PRO A 77 12.553 -13.483 -0.415 1.00 42.40 C ATOM 0 HA PRO A 77 13.603 -15.865 1.545 1.00 62.24 H new ATOM 0 HB2 PRO A 77 12.361 -13.775 2.888 1.00 60.13 H new ATOM 0 HB3 PRO A 77 13.918 -13.544 2.117 1.00 60.13 H new ATOM 0 HG2 PRO A 77 11.176 -12.825 1.099 1.00 21.52 H new ATOM 0 HG3 PRO A 77 12.656 -11.890 1.026 1.00 21.52 H new ATOM 0 HD2 PRO A 77 11.747 -13.294 -1.124 1.00 42.40 H new ATOM 0 HD3 PRO A 77 13.461 -13.057 -0.843 1.00 42.40 H new ATOM 1196 N VAL A 78 11.734 -16.929 2.652 1.00 41.11 N ATOM 1197 CA VAL A 78 10.628 -17.698 3.210 1.00 3.23 C ATOM 1198 C VAL A 78 10.813 -17.918 4.708 1.00 53.24 C ATOM 1199 O VAL A 78 11.931 -17.862 5.220 1.00 11.12 O ATOM 1200 CB VAL A 78 10.488 -19.065 2.515 1.00 20.12 C ATOM 1201 CG1 VAL A 78 9.270 -19.809 3.040 1.00 15.24 C ATOM 1202 CG2 VAL A 78 10.406 -18.889 1.006 1.00 21.34 C ATOM 0 H VAL A 78 12.657 -17.228 2.967 1.00 41.11 H new ATOM 0 HA VAL A 78 9.721 -17.118 3.040 1.00 3.23 H new ATOM 0 HB VAL A 78 11.373 -19.660 2.741 1.00 20.12 H new ATOM 0 HG11 VAL A 78 9.188 -20.773 2.537 1.00 15.24 H new ATOM 0 HG12 VAL A 78 9.375 -19.968 4.113 1.00 15.24 H new ATOM 0 HG13 VAL A 78 8.373 -19.221 2.846 1.00 15.24 H new ATOM 0 HG21 VAL A 78 10.307 -19.865 0.531 1.00 21.34 H new ATOM 0 HG22 VAL A 78 9.540 -18.275 0.758 1.00 21.34 H new ATOM 0 HG23 VAL A 78 11.312 -18.400 0.647 1.00 21.34 H new ATOM 1212 N ILE A 79 9.709 -18.168 5.403 1.00 31.45 N ATOM 1213 CA ILE A 79 9.749 -18.399 6.842 1.00 3.52 C ATOM 1214 C ILE A 79 9.010 -19.679 7.215 1.00 11.01 C ATOM 1215 O ILE A 79 7.970 -19.998 6.637 1.00 24.12 O ATOM 1216 CB ILE A 79 9.134 -17.219 7.618 1.00 30.25 C ATOM 1217 CG1 ILE A 79 9.784 -15.902 7.188 1.00 74.51 C ATOM 1218 CG2 ILE A 79 9.294 -17.430 9.117 1.00 61.14 C ATOM 1219 CD1 ILE A 79 8.899 -14.694 7.401 1.00 30.13 C ATOM 0 H ILE A 79 8.776 -18.216 4.994 1.00 31.45 H new ATOM 0 HA ILE A 79 10.799 -18.497 7.117 1.00 3.52 H new ATOM 0 HB ILE A 79 8.070 -17.169 7.389 1.00 30.25 H new ATOM 0 HG12 ILE A 79 10.712 -15.765 7.744 1.00 74.51 H new ATOM 0 HG13 ILE A 79 10.051 -15.965 6.133 1.00 74.51 H new ATOM 0 HG21 ILE A 79 8.855 -16.588 9.652 1.00 61.14 H new ATOM 0 HG22 ILE A 79 8.789 -18.350 9.411 1.00 61.14 H new ATOM 0 HG23 ILE A 79 10.353 -17.503 9.363 1.00 61.14 H new ATOM 0 HD11 ILE A 79 9.424 -13.796 7.074 1.00 30.13 H new ATOM 0 HD12 ILE A 79 7.982 -14.809 6.823 1.00 30.13 H new ATOM 0 HD13 ILE A 79 8.653 -14.605 8.459 1.00 30.13 H new ATOM 1231 N ILE A 80 9.552 -20.408 8.185 1.00 10.40 N ATOM 1232 CA ILE A 80 8.942 -21.652 8.637 1.00 10.22 C ATOM 1233 C ILE A 80 8.233 -21.462 9.974 1.00 60.41 C ATOM 1234 O ILE A 80 8.722 -20.752 10.852 1.00 54.33 O ATOM 1235 CB ILE A 80 9.988 -22.773 8.778 1.00 23.10 C ATOM 1236 CG1 ILE A 80 10.731 -22.976 7.456 1.00 70.51 C ATOM 1237 CG2 ILE A 80 9.322 -24.067 9.222 1.00 52.31 C ATOM 1238 CD1 ILE A 80 9.939 -23.760 6.433 1.00 64.44 C ATOM 0 H ILE A 80 10.412 -20.158 8.673 1.00 10.40 H new ATOM 0 HA ILE A 80 8.213 -21.940 7.879 1.00 10.22 H new ATOM 0 HB ILE A 80 10.712 -22.481 9.539 1.00 23.10 H new ATOM 0 HG12 ILE A 80 10.986 -22.002 7.038 1.00 70.51 H new ATOM 0 HG13 ILE A 80 11.670 -23.494 7.652 1.00 70.51 H new ATOM 0 HG21 ILE A 80 10.075 -24.850 9.317 1.00 52.31 H new ATOM 0 HG22 ILE A 80 8.834 -23.914 10.185 1.00 52.31 H new ATOM 0 HG23 ILE A 80 8.579 -24.366 8.483 1.00 52.31 H new ATOM 0 HD11 ILE A 80 10.527 -23.866 5.521 1.00 64.44 H new ATOM 0 HD12 ILE A 80 9.707 -24.748 6.832 1.00 64.44 H new ATOM 0 HD13 ILE A 80 9.012 -23.232 6.208 1.00 64.44 H new ATOM 1250 N MET A 81 7.079 -22.105 10.122 1.00 41.13 N ATOM 1251 CA MET A 81 6.304 -22.010 11.353 1.00 1.43 C ATOM 1252 C MET A 81 6.122 -23.384 11.989 1.00 62.30 C ATOM 1253 O MET A 81 5.575 -24.298 11.371 1.00 23.51 O ATOM 1254 CB MET A 81 4.938 -21.379 11.074 1.00 23.22 C ATOM 1255 CG MET A 81 4.898 -19.880 11.324 1.00 23.44 C ATOM 1256 SD MET A 81 4.063 -18.978 10.006 1.00 60.15 S ATOM 1257 CE MET A 81 2.583 -19.967 9.804 1.00 41.43 C ATOM 0 H MET A 81 6.660 -22.697 9.405 1.00 41.13 H new ATOM 0 HA MET A 81 6.853 -21.377 12.050 1.00 1.43 H new ATOM 0 HB2 MET A 81 4.662 -21.574 10.038 1.00 23.22 H new ATOM 0 HB3 MET A 81 4.189 -21.863 11.700 1.00 23.22 H new ATOM 0 HG2 MET A 81 4.391 -19.687 12.269 1.00 23.44 H new ATOM 0 HG3 MET A 81 5.916 -19.505 11.427 1.00 23.44 H new ATOM 0 HE1 MET A 81 2.356 -20.069 8.743 1.00 41.43 H new ATOM 0 HE2 MET A 81 2.743 -20.954 10.238 1.00 41.43 H new ATOM 0 HE3 MET A 81 1.748 -19.480 10.309 1.00 41.43 H new ATOM 1267 N THR A 82 6.585 -23.525 13.228 1.00 54.44 N ATOM 1268 CA THR A 82 6.474 -24.788 13.946 1.00 43.20 C ATOM 1269 C THR A 82 7.147 -24.704 15.311 1.00 31.44 C ATOM 1270 O THR A 82 6.519 -24.330 16.301 1.00 31.43 O ATOM 1271 CB THR A 82 7.102 -25.945 13.147 1.00 62.32 C ATOM 1272 OG1 THR A 82 7.448 -27.019 14.029 1.00 12.11 O ATOM 1273 CG2 THR A 82 8.342 -25.477 12.400 1.00 72.13 C ATOM 0 H THR A 82 7.040 -22.779 13.754 1.00 54.44 H new ATOM 0 HA THR A 82 5.410 -24.984 14.079 1.00 43.20 H new ATOM 0 HB THR A 82 6.369 -26.294 12.420 1.00 62.32 H new ATOM 0 HG1 THR A 82 6.669 -27.598 14.160 1.00 12.11 H new ATOM 0 HG21 THR A 82 8.768 -26.312 11.843 1.00 72.13 H new ATOM 0 HG22 THR A 82 8.071 -24.680 11.708 1.00 72.13 H new ATOM 0 HG23 THR A 82 9.077 -25.104 13.113 1.00 72.13 H new ATOM 1281 N ALA A 83 8.428 -25.055 15.357 1.00 1.40 N ATOM 1282 CA ALA A 83 9.187 -25.016 16.601 1.00 34.42 C ATOM 1283 C ALA A 83 8.624 -26.004 17.618 1.00 51.12 C ATOM 1284 O ALA A 83 8.018 -25.607 18.614 1.00 72.42 O ATOM 1285 CB ALA A 83 9.188 -23.608 17.176 1.00 54.53 C ATOM 0 H ALA A 83 8.962 -25.370 14.547 1.00 1.40 H new ATOM 0 HA ALA A 83 10.214 -25.306 16.380 1.00 34.42 H new ATOM 0 HB1 ALA A 83 9.759 -23.595 18.105 1.00 54.53 H new ATOM 0 HB2 ALA A 83 9.643 -22.923 16.461 1.00 54.53 H new ATOM 0 HB3 ALA A 83 8.163 -23.296 17.375 1.00 54.53 H new ATOM 1291 N HIS A 84 8.827 -27.292 17.360 1.00 23.00 N ATOM 1292 CA HIS A 84 8.340 -28.337 18.253 1.00 14.24 C ATOM 1293 C HIS A 84 8.735 -29.718 17.741 1.00 72.34 C ATOM 1294 O HIS A 84 9.012 -30.626 18.524 1.00 4.03 O ATOM 1295 CB HIS A 84 6.820 -28.248 18.395 1.00 53.14 C ATOM 1296 CG HIS A 84 6.091 -28.327 17.088 1.00 22.34 C ATOM 1297 ND1 HIS A 84 5.847 -29.516 16.434 1.00 60.21 N ATOM 1298 CD2 HIS A 84 5.551 -27.356 16.316 1.00 70.24 C ATOM 1299 CE1 HIS A 84 5.190 -29.273 15.314 1.00 13.21 C ATOM 1300 NE2 HIS A 84 4.997 -27.970 15.219 1.00 41.41 N ATOM 0 H HIS A 84 9.325 -27.637 16.540 1.00 23.00 H new ATOM 0 HA HIS A 84 8.798 -28.187 19.231 1.00 14.24 H new ATOM 0 HB2 HIS A 84 6.476 -29.054 19.043 1.00 53.14 H new ATOM 0 HB3 HIS A 84 6.564 -27.311 18.889 1.00 53.14 H new ATOM 0 HD2 HIS A 84 5.555 -26.296 16.523 1.00 70.24 H new ATOM 0 HE1 HIS A 84 4.866 -30.014 14.598 1.00 13.21 H new ATOM 0 HE2 HIS A 84 4.515 -27.496 14.455 1.00 41.41 H new ATOM 1308 N SER A 85 8.757 -29.870 16.420 1.00 20.13 N ATOM 1309 CA SER A 85 9.114 -31.142 15.803 1.00 74.20 C ATOM 1310 C SER A 85 9.521 -30.944 14.346 1.00 12.21 C ATOM 1311 O SER A 85 9.359 -31.840 13.517 1.00 13.43 O ATOM 1312 CB SER A 85 7.941 -32.121 15.888 1.00 52.12 C ATOM 1313 OG SER A 85 8.306 -33.398 15.395 1.00 30.42 O ATOM 0 H SER A 85 8.532 -29.128 15.757 1.00 20.13 H new ATOM 0 HA SER A 85 9.964 -31.555 16.346 1.00 74.20 H new ATOM 0 HB2 SER A 85 7.610 -32.208 16.923 1.00 52.12 H new ATOM 0 HB3 SER A 85 7.098 -31.734 15.316 1.00 52.12 H new ATOM 0 HG SER A 85 8.720 -33.302 14.512 1.00 30.42 H new ATOM 1319 N ASP A 86 10.050 -29.764 14.042 1.00 62.00 N ATOM 1320 CA ASP A 86 10.482 -29.447 12.686 1.00 43.42 C ATOM 1321 C ASP A 86 11.754 -28.605 12.704 1.00 42.52 C ATOM 1322 O ASP A 86 12.656 -28.806 11.890 1.00 44.24 O ATOM 1323 CB ASP A 86 9.375 -28.705 11.935 1.00 1.45 C ATOM 1324 CG ASP A 86 8.471 -29.643 11.161 1.00 62.42 C ATOM 1325 OD1 ASP A 86 7.472 -30.117 11.741 1.00 51.14 O ATOM 1326 OD2 ASP A 86 8.764 -29.905 9.975 1.00 34.21 O ATOM 0 H ASP A 86 10.190 -29.011 14.716 1.00 62.00 H new ATOM 0 HA ASP A 86 10.695 -30.384 12.171 1.00 43.42 H new ATOM 0 HB2 ASP A 86 8.778 -28.134 12.646 1.00 1.45 H new ATOM 0 HB3 ASP A 86 9.824 -27.988 11.247 1.00 1.45 H new ATOM 1331 N LEU A 87 11.819 -27.660 13.636 1.00 62.40 N ATOM 1332 CA LEU A 87 12.980 -26.786 13.760 1.00 65.13 C ATOM 1333 C LEU A 87 14.269 -27.599 13.836 1.00 73.31 C ATOM 1334 O LEU A 87 15.260 -27.272 13.184 1.00 65.21 O ATOM 1335 CB LEU A 87 12.848 -25.902 15.001 1.00 51.00 C ATOM 1336 CG LEU A 87 12.468 -24.443 14.748 1.00 11.41 C ATOM 1337 CD1 LEU A 87 11.115 -24.355 14.059 1.00 12.14 C ATOM 1338 CD2 LEU A 87 12.456 -23.661 16.054 1.00 54.35 C ATOM 0 H LEU A 87 11.081 -27.480 14.317 1.00 62.40 H new ATOM 0 HA LEU A 87 13.023 -26.153 12.873 1.00 65.13 H new ATOM 0 HB2 LEU A 87 12.099 -26.343 15.659 1.00 51.00 H new ATOM 0 HB3 LEU A 87 13.796 -25.922 15.539 1.00 51.00 H new ATOM 0 HG LEU A 87 13.217 -24.001 14.090 1.00 11.41 H new ATOM 0 HD11 LEU A 87 10.862 -23.309 13.887 1.00 12.14 H new ATOM 0 HD12 LEU A 87 11.158 -24.879 13.104 1.00 12.14 H new ATOM 0 HD13 LEU A 87 10.354 -24.814 14.691 1.00 12.14 H new ATOM 0 HD21 LEU A 87 12.184 -22.625 15.855 1.00 54.35 H new ATOM 0 HD22 LEU A 87 11.729 -24.103 16.736 1.00 54.35 H new ATOM 0 HD23 LEU A 87 13.447 -23.695 16.508 1.00 54.35 H new ATOM 1350 N ASP A 88 14.246 -28.661 14.634 1.00 15.11 N ATOM 1351 CA ASP A 88 15.411 -29.524 14.793 1.00 14.51 C ATOM 1352 C ASP A 88 16.048 -29.830 13.441 1.00 20.35 C ATOM 1353 O ASP A 88 17.269 -29.785 13.295 1.00 1.35 O ATOM 1354 CB ASP A 88 15.016 -30.825 15.492 1.00 22.51 C ATOM 1355 CG ASP A 88 16.045 -31.922 15.298 1.00 43.41 C ATOM 1356 OD1 ASP A 88 16.019 -32.579 14.236 1.00 3.01 O ATOM 1357 OD2 ASP A 88 16.877 -32.122 16.207 1.00 2.42 O ATOM 0 H ASP A 88 13.433 -28.945 15.181 1.00 15.11 H new ATOM 0 HA ASP A 88 16.142 -28.999 15.408 1.00 14.51 H new ATOM 0 HB2 ASP A 88 14.887 -30.637 16.558 1.00 22.51 H new ATOM 0 HB3 ASP A 88 14.053 -31.162 15.109 1.00 22.51 H new ATOM 1362 N ALA A 89 15.213 -30.144 12.457 1.00 53.35 N ATOM 1363 CA ALA A 89 15.694 -30.457 11.117 1.00 65.20 C ATOM 1364 C ALA A 89 15.825 -29.195 10.271 1.00 35.11 C ATOM 1365 O ALA A 89 16.786 -29.037 9.519 1.00 11.34 O ATOM 1366 CB ALA A 89 14.765 -31.454 10.441 1.00 35.15 C ATOM 0 H ALA A 89 14.199 -30.189 12.562 1.00 53.35 H new ATOM 0 HA ALA A 89 16.683 -30.905 11.209 1.00 65.20 H new ATOM 0 HB1 ALA A 89 15.137 -31.678 9.441 1.00 35.15 H new ATOM 0 HB2 ALA A 89 14.727 -32.372 11.028 1.00 35.15 H new ATOM 0 HB3 ALA A 89 13.764 -31.028 10.369 1.00 35.15 H new ATOM 1372 N ALA A 90 14.850 -28.300 10.398 1.00 5.15 N ATOM 1373 CA ALA A 90 14.857 -27.051 9.647 1.00 63.35 C ATOM 1374 C ALA A 90 16.099 -26.226 9.965 1.00 42.43 C ATOM 1375 O ALA A 90 16.482 -25.341 9.199 1.00 52.20 O ATOM 1376 CB ALA A 90 13.598 -26.250 9.943 1.00 43.04 C ATOM 0 H ALA A 90 14.046 -28.417 11.014 1.00 5.15 H new ATOM 0 HA ALA A 90 14.878 -27.295 8.585 1.00 63.35 H new ATOM 0 HB1 ALA A 90 13.617 -25.320 9.375 1.00 43.04 H new ATOM 0 HB2 ALA A 90 12.721 -26.832 9.658 1.00 43.04 H new ATOM 0 HB3 ALA A 90 13.553 -26.024 11.008 1.00 43.04 H new ATOM 1382 N VAL A 91 16.725 -26.520 11.100 1.00 62.02 N ATOM 1383 CA VAL A 91 17.925 -25.805 11.519 1.00 14.12 C ATOM 1384 C VAL A 91 19.069 -26.027 10.536 1.00 14.32 C ATOM 1385 O VAL A 91 19.636 -25.073 10.003 1.00 72.44 O ATOM 1386 CB VAL A 91 18.377 -26.244 12.924 1.00 3.14 C ATOM 1387 CG1 VAL A 91 19.808 -25.800 13.188 1.00 40.43 C ATOM 1388 CG2 VAL A 91 17.435 -25.692 13.984 1.00 64.12 C ATOM 0 H VAL A 91 16.421 -27.248 11.746 1.00 62.02 H new ATOM 0 HA VAL A 91 17.671 -24.745 11.542 1.00 14.12 H new ATOM 0 HB VAL A 91 18.345 -27.332 12.973 1.00 3.14 H new ATOM 0 HG11 VAL A 91 20.110 -26.119 14.186 1.00 40.43 H new ATOM 0 HG12 VAL A 91 20.471 -26.248 12.448 1.00 40.43 H new ATOM 0 HG13 VAL A 91 19.870 -24.714 13.120 1.00 40.43 H new ATOM 0 HG21 VAL A 91 17.770 -26.012 14.971 1.00 64.12 H new ATOM 0 HG22 VAL A 91 17.433 -24.603 13.937 1.00 64.12 H new ATOM 0 HG23 VAL A 91 16.427 -26.065 13.804 1.00 64.12 H new ATOM 1398 N SER A 92 19.402 -27.292 10.301 1.00 44.42 N ATOM 1399 CA SER A 92 20.482 -27.639 9.384 1.00 74.41 C ATOM 1400 C SER A 92 19.956 -27.792 7.960 1.00 63.03 C ATOM 1401 O SER A 92 20.723 -27.769 6.998 1.00 44.03 O ATOM 1402 CB SER A 92 21.161 -28.935 9.831 1.00 60.34 C ATOM 1403 OG SER A 92 22.225 -28.670 10.729 1.00 75.22 O ATOM 0 H SER A 92 18.940 -28.093 10.732 1.00 44.42 H new ATOM 0 HA SER A 92 21.213 -26.830 9.398 1.00 74.41 H new ATOM 0 HB2 SER A 92 20.430 -29.586 10.311 1.00 60.34 H new ATOM 0 HB3 SER A 92 21.541 -29.469 8.960 1.00 60.34 H new ATOM 0 HG SER A 92 22.641 -29.514 11.001 1.00 75.22 H new ATOM 1409 N ALA A 93 18.642 -27.948 7.834 1.00 65.01 N ATOM 1410 CA ALA A 93 18.013 -28.103 6.528 1.00 1.52 C ATOM 1411 C ALA A 93 17.654 -26.747 5.928 1.00 35.54 C ATOM 1412 O ALA A 93 18.179 -26.361 4.884 1.00 53.01 O ATOM 1413 CB ALA A 93 16.774 -28.978 6.640 1.00 33.01 C ATOM 0 H ALA A 93 17.993 -27.970 8.620 1.00 65.01 H new ATOM 0 HA ALA A 93 18.727 -28.588 5.863 1.00 1.52 H new ATOM 0 HB1 ALA A 93 16.314 -29.085 5.658 1.00 33.01 H new ATOM 0 HB2 ALA A 93 17.056 -29.961 7.018 1.00 33.01 H new ATOM 0 HB3 ALA A 93 16.063 -28.516 7.325 1.00 33.01 H new ATOM 1419 N TYR A 94 16.755 -26.031 6.595 1.00 44.55 N ATOM 1420 CA TYR A 94 16.323 -24.720 6.125 1.00 42.50 C ATOM 1421 C TYR A 94 17.519 -23.796 5.912 1.00 53.11 C ATOM 1422 O TYR A 94 17.512 -22.952 5.016 1.00 10.35 O ATOM 1423 CB TYR A 94 15.351 -24.091 7.125 1.00 21.30 C ATOM 1424 CG TYR A 94 14.388 -23.109 6.498 1.00 51.02 C ATOM 1425 CD1 TYR A 94 13.748 -23.401 5.300 1.00 63.34 C ATOM 1426 CD2 TYR A 94 14.117 -21.889 7.104 1.00 12.53 C ATOM 1427 CE1 TYR A 94 12.868 -22.506 4.723 1.00 63.42 C ATOM 1428 CE2 TYR A 94 13.237 -20.988 6.535 1.00 31.15 C ATOM 1429 CZ TYR A 94 12.616 -21.301 5.345 1.00 73.35 C ATOM 1430 OH TYR A 94 11.738 -20.408 4.774 1.00 45.31 O ATOM 0 H TYR A 94 16.312 -26.336 7.462 1.00 44.55 H new ATOM 0 HA TYR A 94 15.815 -24.854 5.170 1.00 42.50 H new ATOM 0 HB2 TYR A 94 14.783 -24.883 7.613 1.00 21.30 H new ATOM 0 HB3 TYR A 94 15.921 -23.582 7.902 1.00 21.30 H new ATOM 0 HD1 TYR A 94 13.942 -24.344 4.811 1.00 63.34 H new ATOM 0 HD2 TYR A 94 14.602 -21.640 8.036 1.00 12.53 H new ATOM 0 HE1 TYR A 94 12.380 -22.748 3.790 1.00 63.42 H new ATOM 0 HE2 TYR A 94 13.037 -20.044 7.020 1.00 31.15 H new ATOM 0 HH TYR A 94 12.163 -19.527 4.710 1.00 45.31 H new ATOM 1440 N GLN A 95 18.543 -23.964 6.742 1.00 64.24 N ATOM 1441 CA GLN A 95 19.746 -23.146 6.645 1.00 64.04 C ATOM 1442 C GLN A 95 20.447 -23.364 5.307 1.00 14.04 C ATOM 1443 O GLN A 95 21.478 -22.752 5.030 1.00 72.21 O ATOM 1444 CB GLN A 95 20.703 -23.470 7.793 1.00 30.15 C ATOM 1445 CG GLN A 95 21.350 -24.841 7.678 1.00 44.32 C ATOM 1446 CD GLN A 95 22.562 -24.839 6.767 1.00 51.24 C ATOM 1447 OE1 GLN A 95 23.306 -23.859 6.705 1.00 34.45 O ATOM 1448 NE2 GLN A 95 22.767 -25.939 6.052 1.00 61.01 N ATOM 0 H GLN A 95 18.564 -24.659 7.489 1.00 64.24 H new ATOM 0 HA GLN A 95 19.449 -22.099 6.713 1.00 64.04 H new ATOM 0 HB2 GLN A 95 21.484 -22.711 7.829 1.00 30.15 H new ATOM 0 HB3 GLN A 95 20.159 -23.412 8.736 1.00 30.15 H new ATOM 0 HG2 GLN A 95 21.646 -25.183 8.670 1.00 44.32 H new ATOM 0 HG3 GLN A 95 20.617 -25.554 7.300 1.00 44.32 H new ATOM 0 HE21 GLN A 95 22.125 -26.728 6.134 1.00 61.01 H new ATOM 0 HE22 GLN A 95 23.566 -25.995 5.421 1.00 61.01 H new ATOM 1457 N GLN A 96 19.879 -24.239 4.484 1.00 64.43 N ATOM 1458 CA GLN A 96 20.451 -24.538 3.176 1.00 72.20 C ATOM 1459 C GLN A 96 20.182 -23.404 2.192 1.00 30.04 C ATOM 1460 O GLN A 96 20.051 -23.630 0.990 1.00 11.41 O ATOM 1461 CB GLN A 96 19.877 -25.848 2.632 1.00 14.42 C ATOM 1462 CG GLN A 96 20.454 -27.087 3.296 1.00 64.34 C ATOM 1463 CD GLN A 96 21.588 -27.701 2.498 1.00 21.22 C ATOM 1464 OE1 GLN A 96 22.131 -27.076 1.587 1.00 61.12 O ATOM 1465 NE2 GLN A 96 21.952 -28.932 2.838 1.00 63.32 N ATOM 0 H GLN A 96 19.024 -24.753 4.699 1.00 64.43 H new ATOM 0 HA GLN A 96 21.529 -24.644 3.295 1.00 72.20 H new ATOM 0 HB2 GLN A 96 18.795 -25.844 2.766 1.00 14.42 H new ATOM 0 HB3 GLN A 96 20.065 -25.900 1.560 1.00 14.42 H new ATOM 0 HG2 GLN A 96 20.814 -26.827 4.291 1.00 64.34 H new ATOM 0 HG3 GLN A 96 19.664 -27.827 3.426 1.00 64.34 H new ATOM 0 HE21 GLN A 96 21.474 -29.413 3.600 1.00 63.32 H new ATOM 0 HE22 GLN A 96 22.710 -29.396 2.337 1.00 63.32 H new ATOM 1474 N GLY A 97 20.101 -22.183 2.712 1.00 14.14 N ATOM 1475 CA GLY A 97 19.847 -21.032 1.866 1.00 42.30 C ATOM 1476 C GLY A 97 18.473 -20.435 2.095 1.00 12.12 C ATOM 1477 O GLY A 97 17.838 -19.944 1.162 1.00 62.52 O ATOM 0 H GLY A 97 20.207 -21.971 3.704 1.00 14.14 H new ATOM 0 HA2 GLY A 97 20.606 -20.272 2.054 1.00 42.30 H new ATOM 0 HA3 GLY A 97 19.942 -21.325 0.821 1.00 42.30 H new ATOM 1481 N ALA A 98 18.011 -20.478 3.341 1.00 50.34 N ATOM 1482 CA ALA A 98 16.703 -19.937 3.690 1.00 42.35 C ATOM 1483 C ALA A 98 16.831 -18.798 4.696 1.00 32.52 C ATOM 1484 O ALA A 98 17.930 -18.476 5.148 1.00 32.21 O ATOM 1485 CB ALA A 98 15.808 -21.036 4.243 1.00 40.40 C ATOM 0 H ALA A 98 18.523 -20.882 4.125 1.00 50.34 H new ATOM 0 HA ALA A 98 16.249 -19.536 2.784 1.00 42.35 H new ATOM 0 HB1 ALA A 98 14.835 -20.618 4.499 1.00 40.40 H new ATOM 0 HB2 ALA A 98 15.682 -21.815 3.491 1.00 40.40 H new ATOM 0 HB3 ALA A 98 16.266 -21.463 5.135 1.00 40.40 H new ATOM 1491 N PHE A 99 15.700 -18.192 5.043 1.00 23.23 N ATOM 1492 CA PHE A 99 15.686 -17.088 5.996 1.00 61.13 C ATOM 1493 C PHE A 99 15.320 -17.580 7.393 1.00 4.11 C ATOM 1494 O PHE A 99 14.619 -18.580 7.547 1.00 2.02 O ATOM 1495 CB PHE A 99 14.696 -16.012 5.546 1.00 11.33 C ATOM 1496 CG PHE A 99 14.393 -14.995 6.609 1.00 14.22 C ATOM 1497 CD1 PHE A 99 15.229 -13.908 6.806 1.00 25.32 C ATOM 1498 CD2 PHE A 99 13.271 -15.126 7.412 1.00 52.21 C ATOM 1499 CE1 PHE A 99 14.953 -12.970 7.783 1.00 21.42 C ATOM 1500 CE2 PHE A 99 12.989 -14.191 8.390 1.00 1.01 C ATOM 1501 CZ PHE A 99 13.832 -13.113 8.577 1.00 51.31 C ATOM 0 H PHE A 99 14.782 -18.447 4.679 1.00 23.23 H new ATOM 0 HA PHE A 99 16.687 -16.659 6.032 1.00 61.13 H new ATOM 0 HB2 PHE A 99 15.099 -15.502 4.671 1.00 11.33 H new ATOM 0 HB3 PHE A 99 13.767 -16.491 5.237 1.00 11.33 H new ATOM 0 HD1 PHE A 99 16.107 -13.792 6.188 1.00 25.32 H new ATOM 0 HD2 PHE A 99 12.610 -15.968 7.272 1.00 52.21 H new ATOM 0 HE1 PHE A 99 15.613 -12.127 7.925 1.00 21.42 H new ATOM 0 HE2 PHE A 99 12.110 -14.303 9.008 1.00 1.01 H new ATOM 0 HZ PHE A 99 13.615 -12.383 9.343 1.00 51.31 H new ATOM 1511 N ASP A 100 15.801 -16.870 8.408 1.00 61.21 N ATOM 1512 CA ASP A 100 15.525 -17.233 9.793 1.00 23.02 C ATOM 1513 C ASP A 100 14.037 -17.496 10.000 1.00 11.41 C ATOM 1514 O ASP A 100 13.228 -16.567 10.011 1.00 60.43 O ATOM 1515 CB ASP A 100 15.996 -16.125 10.736 1.00 23.05 C ATOM 1516 CG ASP A 100 15.923 -16.535 12.194 1.00 33.41 C ATOM 1517 OD1 ASP A 100 14.811 -16.507 12.763 1.00 23.14 O ATOM 1518 OD2 ASP A 100 16.976 -16.886 12.765 1.00 3.23 O ATOM 0 H ASP A 100 16.384 -16.040 8.297 1.00 61.21 H new ATOM 0 HA ASP A 100 16.072 -18.149 10.019 1.00 23.02 H new ATOM 0 HB2 ASP A 100 17.022 -15.854 10.489 1.00 23.05 H new ATOM 0 HB3 ASP A 100 15.385 -15.236 10.581 1.00 23.05 H new ATOM 1523 N TYR A 101 13.683 -18.765 10.163 1.00 34.41 N ATOM 1524 CA TYR A 101 12.291 -19.151 10.366 1.00 41.40 C ATOM 1525 C TYR A 101 11.731 -18.520 11.637 1.00 10.22 C ATOM 1526 O TYR A 101 12.434 -17.803 12.351 1.00 40.02 O ATOM 1527 CB TYR A 101 12.167 -20.673 10.442 1.00 64.33 C ATOM 1528 CG TYR A 101 13.232 -21.326 11.295 1.00 53.43 C ATOM 1529 CD1 TYR A 101 13.371 -20.999 12.638 1.00 54.31 C ATOM 1530 CD2 TYR A 101 14.098 -22.270 10.757 1.00 0.14 C ATOM 1531 CE1 TYR A 101 14.342 -21.592 13.421 1.00 42.34 C ATOM 1532 CE2 TYR A 101 15.072 -22.869 11.533 1.00 73.20 C ATOM 1533 CZ TYR A 101 15.190 -22.526 12.864 1.00 61.43 C ATOM 1534 OH TYR A 101 16.158 -23.120 13.640 1.00 23.45 O ATOM 0 H TYR A 101 14.340 -19.545 10.159 1.00 34.41 H new ATOM 0 HA TYR A 101 11.713 -18.789 9.516 1.00 41.40 H new ATOM 0 HB2 TYR A 101 11.186 -20.930 10.841 1.00 64.33 H new ATOM 0 HB3 TYR A 101 12.218 -21.084 9.434 1.00 64.33 H new ATOM 0 HD1 TYR A 101 12.708 -20.268 13.077 1.00 54.31 H new ATOM 0 HD2 TYR A 101 14.008 -22.540 9.715 1.00 0.14 H new ATOM 0 HE1 TYR A 101 14.437 -21.326 14.463 1.00 42.34 H new ATOM 0 HE2 TYR A 101 15.737 -23.601 11.100 1.00 73.20 H new ATOM 0 HH TYR A 101 17.042 -22.799 13.363 1.00 23.45 H new ATOM 1544 N LEU A 102 10.461 -18.792 11.915 1.00 72.23 N ATOM 1545 CA LEU A 102 9.804 -18.253 13.100 1.00 10.14 C ATOM 1546 C LEU A 102 9.009 -19.336 13.823 1.00 63.12 C ATOM 1547 O LEU A 102 8.179 -20.029 13.234 1.00 42.42 O ATOM 1548 CB LEU A 102 8.879 -17.098 12.714 1.00 13.30 C ATOM 1549 CG LEU A 102 7.682 -16.859 13.636 1.00 60.15 C ATOM 1550 CD1 LEU A 102 8.128 -16.191 14.927 1.00 33.31 C ATOM 1551 CD2 LEU A 102 6.628 -16.016 12.933 1.00 12.12 C ATOM 0 H LEU A 102 9.865 -19.383 11.335 1.00 72.23 H new ATOM 0 HA LEU A 102 10.575 -17.883 13.775 1.00 10.14 H new ATOM 0 HB2 LEU A 102 9.470 -16.183 12.675 1.00 13.30 H new ATOM 0 HB3 LEU A 102 8.505 -17.279 11.706 1.00 13.30 H new ATOM 0 HG LEU A 102 7.240 -17.824 13.885 1.00 60.15 H new ATOM 0 HD11 LEU A 102 7.263 -16.029 15.570 1.00 33.31 H new ATOM 0 HD12 LEU A 102 8.846 -16.832 15.439 1.00 33.31 H new ATOM 0 HD13 LEU A 102 8.595 -15.233 14.698 1.00 33.31 H new ATOM 0 HD21 LEU A 102 5.784 -15.856 13.603 1.00 12.12 H new ATOM 0 HD22 LEU A 102 7.058 -15.054 12.655 1.00 12.12 H new ATOM 0 HD23 LEU A 102 6.286 -16.534 12.037 1.00 12.12 H new ATOM 1563 N PRO A 103 9.266 -19.486 15.131 1.00 64.03 N ATOM 1564 CA PRO A 103 8.584 -20.481 15.963 1.00 75.23 C ATOM 1565 C PRO A 103 7.116 -20.137 16.191 1.00 75.24 C ATOM 1566 O PRO A 103 6.714 -18.979 16.079 1.00 52.21 O ATOM 1567 CB PRO A 103 9.356 -20.430 17.283 1.00 0.12 C ATOM 1568 CG PRO A 103 9.943 -19.061 17.325 1.00 24.54 C ATOM 1569 CD PRO A 103 10.243 -18.695 15.898 1.00 22.21 C ATOM 0 HA PRO A 103 8.576 -21.466 15.496 1.00 75.23 H new ATOM 0 HB2 PRO A 103 8.698 -20.605 18.134 1.00 0.12 H new ATOM 0 HB3 PRO A 103 10.132 -21.195 17.318 1.00 0.12 H new ATOM 0 HG2 PRO A 103 9.247 -18.351 17.772 1.00 24.54 H new ATOM 0 HG3 PRO A 103 10.849 -19.043 17.931 1.00 24.54 H new ATOM 0 HD2 PRO A 103 10.121 -17.626 15.723 1.00 22.21 H new ATOM 0 HD3 PRO A 103 11.268 -18.948 15.625 1.00 22.21 H new ATOM 1577 N LYS A 104 6.318 -21.151 16.511 1.00 1.52 N ATOM 1578 CA LYS A 104 4.894 -20.956 16.757 1.00 61.10 C ATOM 1579 C LYS A 104 4.526 -21.369 18.178 1.00 31.43 C ATOM 1580 O LYS A 104 5.013 -22.370 18.705 1.00 12.14 O ATOM 1581 CB LYS A 104 4.067 -21.760 15.751 1.00 45.45 C ATOM 1582 CG LYS A 104 4.030 -21.142 14.363 1.00 11.24 C ATOM 1583 CD LYS A 104 2.603 -20.903 13.898 1.00 43.11 C ATOM 1584 CE LYS A 104 1.894 -22.210 13.580 1.00 64.52 C ATOM 1585 NZ LYS A 104 1.174 -22.753 14.765 1.00 60.33 N ATOM 0 H LYS A 104 6.634 -22.116 16.606 1.00 1.52 H new ATOM 0 HA LYS A 104 4.672 -19.896 16.636 1.00 61.10 H new ATOM 0 HB2 LYS A 104 4.476 -22.768 15.680 1.00 45.45 H new ATOM 0 HB3 LYS A 104 3.047 -21.855 16.125 1.00 45.45 H new ATOM 0 HG2 LYS A 104 4.575 -20.198 14.369 1.00 11.24 H new ATOM 0 HG3 LYS A 104 4.539 -21.799 13.657 1.00 11.24 H new ATOM 0 HD2 LYS A 104 2.052 -20.368 14.671 1.00 43.11 H new ATOM 0 HD3 LYS A 104 2.609 -20.267 13.013 1.00 43.11 H new ATOM 0 HE2 LYS A 104 1.186 -22.051 12.767 1.00 64.52 H new ATOM 0 HE3 LYS A 104 2.622 -22.942 13.230 1.00 64.52 H new ATOM 0 HZ1 LYS A 104 0.352 -23.306 14.448 1.00 60.33 H new ATOM 0 HZ2 LYS A 104 1.814 -23.365 15.310 1.00 60.33 H new ATOM 0 HZ3 LYS A 104 0.852 -21.967 15.365 1.00 60.33 H new ATOM 1599 N PRO A 105 3.645 -20.584 18.815 1.00 53.54 N ATOM 1600 CA PRO A 105 3.059 -19.390 18.198 1.00 51.24 C ATOM 1601 C PRO A 105 4.078 -18.270 18.020 1.00 41.41 C ATOM 1602 O PRO A 105 5.249 -18.421 18.368 1.00 63.42 O ATOM 1603 CB PRO A 105 1.974 -18.972 19.193 1.00 75.31 C ATOM 1604 CG PRO A 105 2.429 -19.520 20.501 1.00 13.15 C ATOM 1605 CD PRO A 105 3.153 -20.799 20.186 1.00 73.44 C ATOM 0 HA PRO A 105 2.682 -19.593 17.196 1.00 51.24 H new ATOM 0 HB2 PRO A 105 1.870 -17.888 19.233 1.00 75.31 H new ATOM 0 HB3 PRO A 105 1.002 -19.376 18.911 1.00 75.31 H new ATOM 0 HG2 PRO A 105 3.086 -18.816 21.012 1.00 13.15 H new ATOM 0 HG3 PRO A 105 1.582 -19.704 21.163 1.00 13.15 H new ATOM 0 HD2 PRO A 105 3.971 -20.980 20.883 1.00 73.44 H new ATOM 0 HD3 PRO A 105 2.489 -21.661 20.244 1.00 73.44 H new ATOM 1613 N PHE A 106 3.625 -17.145 17.477 1.00 43.53 N ATOM 1614 CA PHE A 106 4.498 -15.998 17.252 1.00 25.34 C ATOM 1615 C PHE A 106 3.747 -14.690 17.479 1.00 41.34 C ATOM 1616 O PHE A 106 2.528 -14.627 17.322 1.00 54.40 O ATOM 1617 CB PHE A 106 5.068 -16.034 15.833 1.00 55.15 C ATOM 1618 CG PHE A 106 4.012 -16.078 14.765 1.00 42.23 C ATOM 1619 CD1 PHE A 106 3.228 -14.966 14.501 1.00 63.33 C ATOM 1620 CD2 PHE A 106 3.804 -17.231 14.025 1.00 13.12 C ATOM 1621 CE1 PHE A 106 2.257 -15.003 13.518 1.00 35.14 C ATOM 1622 CE2 PHE A 106 2.834 -17.274 13.042 1.00 52.44 C ATOM 1623 CZ PHE A 106 2.058 -16.159 12.789 1.00 44.23 C ATOM 0 H PHE A 106 2.658 -17.003 17.184 1.00 43.53 H new ATOM 0 HA PHE A 106 5.319 -16.053 17.966 1.00 25.34 H new ATOM 0 HB2 PHE A 106 5.694 -15.155 15.679 1.00 55.15 H new ATOM 0 HB3 PHE A 106 5.714 -16.906 15.731 1.00 55.15 H new ATOM 0 HD1 PHE A 106 3.377 -14.060 15.070 1.00 63.33 H new ATOM 0 HD2 PHE A 106 4.407 -18.106 14.219 1.00 13.12 H new ATOM 0 HE1 PHE A 106 1.655 -14.129 13.320 1.00 35.14 H new ATOM 0 HE2 PHE A 106 2.682 -18.179 12.472 1.00 52.44 H new ATOM 0 HZ PHE A 106 1.298 -16.191 12.023 1.00 44.23 H new ATOM 1633 N ASP A 107 4.484 -13.648 17.848 1.00 12.12 N ATOM 1634 CA ASP A 107 3.889 -12.340 18.096 1.00 55.11 C ATOM 1635 C ASP A 107 3.670 -11.586 16.788 1.00 52.11 C ATOM 1636 O ASP A 107 4.626 -11.172 16.132 1.00 52.14 O ATOM 1637 CB ASP A 107 4.780 -11.519 19.029 1.00 15.14 C ATOM 1638 CG ASP A 107 5.160 -12.280 20.284 1.00 12.23 C ATOM 1639 OD1 ASP A 107 4.434 -13.231 20.645 1.00 44.32 O ATOM 1640 OD2 ASP A 107 6.183 -11.925 20.906 1.00 61.15 O ATOM 0 H ASP A 107 5.495 -13.684 17.982 1.00 12.12 H new ATOM 0 HA ASP A 107 2.921 -12.493 18.573 1.00 55.11 H new ATOM 0 HB2 ASP A 107 5.685 -11.226 18.497 1.00 15.14 H new ATOM 0 HB3 ASP A 107 4.262 -10.601 19.307 1.00 15.14 H new ATOM 1645 N ILE A 108 2.406 -11.412 16.415 1.00 23.52 N ATOM 1646 CA ILE A 108 2.063 -10.709 15.186 1.00 53.41 C ATOM 1647 C ILE A 108 2.893 -9.440 15.029 1.00 44.54 C ATOM 1648 O ILE A 108 3.283 -9.074 13.919 1.00 1.14 O ATOM 1649 CB ILE A 108 0.568 -10.339 15.148 1.00 42.51 C ATOM 1650 CG1 ILE A 108 -0.284 -11.590 14.928 1.00 50.03 C ATOM 1651 CG2 ILE A 108 0.304 -9.312 14.056 1.00 23.41 C ATOM 1652 CD1 ILE A 108 -1.671 -11.489 15.523 1.00 22.14 C ATOM 0 H ILE A 108 1.603 -11.748 16.947 1.00 23.52 H new ATOM 0 HA ILE A 108 2.282 -11.388 14.362 1.00 53.41 H new ATOM 0 HB ILE A 108 0.293 -9.900 16.107 1.00 42.51 H new ATOM 0 HG12 ILE A 108 -0.369 -11.778 13.858 1.00 50.03 H new ATOM 0 HG13 ILE A 108 0.227 -12.449 15.363 1.00 50.03 H new ATOM 0 HG21 ILE A 108 -0.757 -9.061 14.042 1.00 23.41 H new ATOM 0 HG22 ILE A 108 0.887 -8.413 14.254 1.00 23.41 H new ATOM 0 HG23 ILE A 108 0.592 -9.726 13.090 1.00 23.41 H new ATOM 0 HD11 ILE A 108 -2.218 -12.411 15.329 1.00 22.14 H new ATOM 0 HD12 ILE A 108 -1.595 -11.332 16.599 1.00 22.14 H new ATOM 0 HD13 ILE A 108 -2.201 -10.651 15.071 1.00 22.14 H new ATOM 1664 N ASP A 109 3.162 -8.773 16.146 1.00 42.13 N ATOM 1665 CA ASP A 109 3.950 -7.546 16.133 1.00 13.40 C ATOM 1666 C ASP A 109 5.328 -7.790 15.527 1.00 70.52 C ATOM 1667 O ASP A 109 5.793 -7.019 14.689 1.00 44.20 O ATOM 1668 CB ASP A 109 4.094 -6.992 17.552 1.00 72.15 C ATOM 1669 CG ASP A 109 3.704 -5.530 17.645 1.00 42.01 C ATOM 1670 OD1 ASP A 109 2.562 -5.196 17.268 1.00 14.34 O ATOM 1671 OD2 ASP A 109 4.542 -4.720 18.094 1.00 42.23 O ATOM 0 H ASP A 109 2.846 -9.061 17.072 1.00 42.13 H new ATOM 0 HA ASP A 109 3.427 -6.815 15.517 1.00 13.40 H new ATOM 0 HB2 ASP A 109 3.472 -7.575 18.231 1.00 72.15 H new ATOM 0 HB3 ASP A 109 5.126 -7.112 17.883 1.00 72.15 H new ATOM 1676 N GLU A 110 5.975 -8.869 15.957 1.00 2.13 N ATOM 1677 CA GLU A 110 7.301 -9.213 15.458 1.00 61.43 C ATOM 1678 C GLU A 110 7.211 -9.873 14.084 1.00 13.54 C ATOM 1679 O GLU A 110 8.126 -9.762 13.270 1.00 64.13 O ATOM 1680 CB GLU A 110 8.013 -10.148 16.438 1.00 10.21 C ATOM 1681 CG GLU A 110 9.440 -9.730 16.750 1.00 62.11 C ATOM 1682 CD GLU A 110 9.814 -9.966 18.200 1.00 34.35 C ATOM 1683 OE1 GLU A 110 9.179 -10.829 18.843 1.00 60.23 O ATOM 1684 OE2 GLU A 110 10.739 -9.289 18.693 1.00 4.33 O ATOM 0 H GLU A 110 5.603 -9.519 16.649 1.00 2.13 H new ATOM 0 HA GLU A 110 7.875 -8.291 15.363 1.00 61.43 H new ATOM 0 HB2 GLU A 110 7.444 -10.189 17.367 1.00 10.21 H new ATOM 0 HB3 GLU A 110 8.021 -11.156 16.024 1.00 10.21 H new ATOM 0 HG2 GLU A 110 10.125 -10.283 16.108 1.00 62.11 H new ATOM 0 HG3 GLU A 110 9.565 -8.673 16.514 1.00 62.11 H new ATOM 1691 N ALA A 111 6.100 -10.559 13.836 1.00 51.42 N ATOM 1692 CA ALA A 111 5.888 -11.234 12.562 1.00 64.42 C ATOM 1693 C ALA A 111 5.729 -10.229 11.427 1.00 43.34 C ATOM 1694 O ALA A 111 6.465 -10.269 10.441 1.00 45.53 O ATOM 1695 CB ALA A 111 4.669 -12.141 12.641 1.00 11.23 C ATOM 0 H ALA A 111 5.333 -10.662 14.501 1.00 51.42 H new ATOM 0 HA ALA A 111 6.767 -11.843 12.352 1.00 64.42 H new ATOM 0 HB1 ALA A 111 4.523 -12.639 11.682 1.00 11.23 H new ATOM 0 HB2 ALA A 111 4.822 -12.889 13.419 1.00 11.23 H new ATOM 0 HB3 ALA A 111 3.787 -11.546 12.879 1.00 11.23 H new ATOM 1701 N VAL A 112 4.763 -9.328 11.572 1.00 51.54 N ATOM 1702 CA VAL A 112 4.507 -8.311 10.558 1.00 5.23 C ATOM 1703 C VAL A 112 5.789 -7.575 10.182 1.00 31.35 C ATOM 1704 O VAL A 112 5.966 -7.162 9.037 1.00 1.21 O ATOM 1705 CB VAL A 112 3.464 -7.287 11.042 1.00 54.53 C ATOM 1706 CG1 VAL A 112 3.483 -6.047 10.160 1.00 60.42 C ATOM 1707 CG2 VAL A 112 2.077 -7.911 11.067 1.00 32.21 C ATOM 0 H VAL A 112 4.144 -9.281 12.382 1.00 51.54 H new ATOM 0 HA VAL A 112 4.118 -8.829 9.681 1.00 5.23 H new ATOM 0 HB VAL A 112 3.721 -6.986 12.058 1.00 54.53 H new ATOM 0 HG11 VAL A 112 2.739 -5.335 10.517 1.00 60.42 H new ATOM 0 HG12 VAL A 112 4.471 -5.589 10.197 1.00 60.42 H new ATOM 0 HG13 VAL A 112 3.252 -6.328 9.132 1.00 60.42 H new ATOM 0 HG21 VAL A 112 1.352 -7.173 11.411 1.00 32.21 H new ATOM 0 HG22 VAL A 112 1.809 -8.242 10.064 1.00 32.21 H new ATOM 0 HG23 VAL A 112 2.075 -8.765 11.744 1.00 32.21 H new ATOM 1717 N ALA A 113 6.680 -7.416 11.155 1.00 23.22 N ATOM 1718 CA ALA A 113 7.947 -6.733 10.926 1.00 2.21 C ATOM 1719 C ALA A 113 8.992 -7.689 10.361 1.00 42.34 C ATOM 1720 O ALA A 113 9.897 -7.276 9.633 1.00 34.40 O ATOM 1721 CB ALA A 113 8.449 -6.104 12.218 1.00 54.35 C ATOM 0 H ALA A 113 6.548 -7.751 12.109 1.00 23.22 H new ATOM 0 HA ALA A 113 7.779 -5.945 10.192 1.00 2.21 H new ATOM 0 HB1 ALA A 113 9.396 -5.597 12.032 1.00 54.35 H new ATOM 0 HB2 ALA A 113 7.716 -5.383 12.580 1.00 54.35 H new ATOM 0 HB3 ALA A 113 8.594 -6.881 12.968 1.00 54.35 H new ATOM 1727 N LEU A 114 8.863 -8.967 10.700 1.00 41.44 N ATOM 1728 CA LEU A 114 9.797 -9.982 10.226 1.00 43.02 C ATOM 1729 C LEU A 114 9.718 -10.130 8.710 1.00 73.22 C ATOM 1730 O LEU A 114 10.736 -10.294 8.037 1.00 34.32 O ATOM 1731 CB LEU A 114 9.505 -11.325 10.897 1.00 31.11 C ATOM 1732 CG LEU A 114 10.361 -12.506 10.438 1.00 43.44 C ATOM 1733 CD1 LEU A 114 11.743 -12.441 11.070 1.00 12.02 C ATOM 1734 CD2 LEU A 114 9.679 -13.823 10.776 1.00 71.02 C ATOM 0 H LEU A 114 8.121 -9.325 11.301 1.00 41.44 H new ATOM 0 HA LEU A 114 10.806 -9.663 10.489 1.00 43.02 H new ATOM 0 HB2 LEU A 114 9.633 -11.206 11.973 1.00 31.11 H new ATOM 0 HB3 LEU A 114 8.458 -11.573 10.726 1.00 31.11 H new ATOM 0 HG LEU A 114 10.476 -12.447 9.356 1.00 43.44 H new ATOM 0 HD11 LEU A 114 12.338 -13.289 10.732 1.00 12.02 H new ATOM 0 HD12 LEU A 114 12.234 -11.513 10.776 1.00 12.02 H new ATOM 0 HD13 LEU A 114 11.649 -12.474 12.155 1.00 12.02 H new ATOM 0 HD21 LEU A 114 10.303 -14.652 10.442 1.00 71.02 H new ATOM 0 HD22 LEU A 114 9.532 -13.891 11.854 1.00 71.02 H new ATOM 0 HD23 LEU A 114 8.712 -13.871 10.275 1.00 71.02 H new ATOM 1746 N VAL A 115 8.501 -10.069 8.177 1.00 22.24 N ATOM 1747 CA VAL A 115 8.288 -10.193 6.740 1.00 25.24 C ATOM 1748 C VAL A 115 8.841 -8.982 5.997 1.00 74.44 C ATOM 1749 O VAL A 115 9.384 -9.110 4.900 1.00 75.42 O ATOM 1750 CB VAL A 115 6.793 -10.349 6.406 1.00 62.53 C ATOM 1751 CG1 VAL A 115 5.985 -9.222 7.030 1.00 45.22 C ATOM 1752 CG2 VAL A 115 6.587 -10.394 4.899 1.00 14.12 C ATOM 0 H VAL A 115 7.648 -9.934 8.719 1.00 22.24 H new ATOM 0 HA VAL A 115 8.820 -11.088 6.416 1.00 25.24 H new ATOM 0 HB VAL A 115 6.441 -11.291 6.827 1.00 62.53 H new ATOM 0 HG11 VAL A 115 4.931 -9.350 6.783 1.00 45.22 H new ATOM 0 HG12 VAL A 115 6.109 -9.242 8.113 1.00 45.22 H new ATOM 0 HG13 VAL A 115 6.335 -8.265 6.642 1.00 45.22 H new ATOM 0 HG21 VAL A 115 5.525 -10.505 4.680 1.00 14.12 H new ATOM 0 HG22 VAL A 115 6.955 -9.470 4.454 1.00 14.12 H new ATOM 0 HG23 VAL A 115 7.133 -11.240 4.482 1.00 14.12 H new ATOM 1762 N GLU A 116 8.698 -7.807 6.602 1.00 62.32 N ATOM 1763 CA GLU A 116 9.183 -6.573 5.996 1.00 41.13 C ATOM 1764 C GLU A 116 10.705 -6.580 5.890 1.00 4.00 C ATOM 1765 O GLU A 116 11.285 -5.867 5.070 1.00 34.03 O ATOM 1766 CB GLU A 116 8.723 -5.363 6.812 1.00 42.03 C ATOM 1767 CG GLU A 116 7.813 -4.420 6.042 1.00 24.13 C ATOM 1768 CD GLU A 116 7.109 -3.424 6.943 1.00 20.43 C ATOM 1769 OE1 GLU A 116 7.483 -3.332 8.131 1.00 21.44 O ATOM 1770 OE2 GLU A 116 6.184 -2.738 6.461 1.00 3.31 O ATOM 0 H GLU A 116 8.251 -7.684 7.510 1.00 62.32 H new ATOM 0 HA GLU A 116 8.767 -6.504 4.991 1.00 41.13 H new ATOM 0 HB2 GLU A 116 8.200 -5.713 7.702 1.00 42.03 H new ATOM 0 HB3 GLU A 116 9.599 -4.811 7.153 1.00 42.03 H new ATOM 0 HG2 GLU A 116 8.400 -3.880 5.299 1.00 24.13 H new ATOM 0 HG3 GLU A 116 7.069 -5.002 5.499 1.00 24.13 H new ATOM 1777 N ARG A 117 11.347 -7.390 6.726 1.00 72.23 N ATOM 1778 CA ARG A 117 12.801 -7.489 6.728 1.00 24.31 C ATOM 1779 C ARG A 117 13.299 -8.214 5.481 1.00 40.11 C ATOM 1780 O ARG A 117 14.400 -7.953 4.997 1.00 51.30 O ATOM 1781 CB ARG A 117 13.282 -8.222 7.982 1.00 12.33 C ATOM 1782 CG ARG A 117 14.741 -8.642 7.921 1.00 43.32 C ATOM 1783 CD ARG A 117 15.454 -8.374 9.237 1.00 10.32 C ATOM 1784 NE ARG A 117 16.895 -8.218 9.058 1.00 50.04 N ATOM 1785 CZ ARG A 117 17.769 -8.266 10.056 1.00 25.43 C ATOM 1786 NH1 ARG A 117 17.352 -8.466 11.299 1.00 54.43 N ATOM 1787 NH2 ARG A 117 19.065 -8.116 9.813 1.00 2.11 N ATOM 0 H ARG A 117 10.883 -7.987 7.410 1.00 72.23 H new ATOM 0 HA ARG A 117 13.208 -6.478 6.727 1.00 24.31 H new ATOM 0 HB2 ARG A 117 13.134 -7.577 8.848 1.00 12.33 H new ATOM 0 HB3 ARG A 117 12.664 -9.107 8.134 1.00 12.33 H new ATOM 0 HG2 ARG A 117 14.805 -9.703 7.681 1.00 43.32 H new ATOM 0 HG3 ARG A 117 15.243 -8.102 7.118 1.00 43.32 H new ATOM 0 HD2 ARG A 117 15.046 -7.472 9.693 1.00 10.32 H new ATOM 0 HD3 ARG A 117 15.261 -9.195 9.927 1.00 10.32 H new ATOM 0 HE ARG A 117 17.249 -8.064 8.114 1.00 50.04 H new ATOM 0 HH11 ARG A 117 16.357 -8.584 11.490 1.00 54.43 H new ATOM 0 HH12 ARG A 117 18.026 -8.502 12.063 1.00 54.43 H new ATOM 0 HH21 ARG A 117 19.391 -7.964 8.858 1.00 2.11 H new ATOM 0 HH22 ARG A 117 19.735 -8.153 10.581 1.00 2.11 H new ATOM 1801 N ALA A 118 12.480 -9.126 4.966 1.00 3.42 N ATOM 1802 CA ALA A 118 12.836 -9.887 3.775 1.00 4.32 C ATOM 1803 C ALA A 118 12.499 -9.111 2.507 1.00 44.54 C ATOM 1804 O ALA A 118 13.166 -9.258 1.482 1.00 4.11 O ATOM 1805 CB ALA A 118 12.127 -11.233 3.777 1.00 13.51 C ATOM 0 H ALA A 118 11.566 -9.355 5.355 1.00 3.42 H new ATOM 0 HA ALA A 118 13.913 -10.056 3.790 1.00 4.32 H new ATOM 0 HB1 ALA A 118 12.402 -11.791 2.882 1.00 13.51 H new ATOM 0 HB2 ALA A 118 12.422 -11.798 4.661 1.00 13.51 H new ATOM 0 HB3 ALA A 118 11.048 -11.076 3.789 1.00 13.51 H new ATOM 1811 N ILE A 119 11.461 -8.285 2.582 1.00 71.11 N ATOM 1812 CA ILE A 119 11.036 -7.486 1.439 1.00 4.02 C ATOM 1813 C ILE A 119 11.852 -6.202 1.333 1.00 0.10 C ATOM 1814 O ILE A 119 12.416 -5.898 0.282 1.00 2.11 O ATOM 1815 CB ILE A 119 9.542 -7.126 1.528 1.00 13.54 C ATOM 1816 CG1 ILE A 119 8.689 -8.396 1.561 1.00 4.22 C ATOM 1817 CG2 ILE A 119 9.139 -6.241 0.358 1.00 63.23 C ATOM 1818 CD1 ILE A 119 7.344 -8.204 2.226 1.00 24.13 C ATOM 0 H ILE A 119 10.899 -8.151 3.422 1.00 71.11 H new ATOM 0 HA ILE A 119 11.202 -8.094 0.550 1.00 4.02 H new ATOM 0 HB ILE A 119 9.372 -6.573 2.452 1.00 13.54 H new ATOM 0 HG12 ILE A 119 8.534 -8.746 0.541 1.00 4.22 H new ATOM 0 HG13 ILE A 119 9.237 -9.178 2.087 1.00 4.22 H new ATOM 0 HG21 ILE A 119 8.080 -5.995 0.436 1.00 63.23 H new ATOM 0 HG22 ILE A 119 9.727 -5.323 0.377 1.00 63.23 H new ATOM 0 HG23 ILE A 119 9.321 -6.770 -0.578 1.00 63.23 H new ATOM 0 HD11 ILE A 119 6.794 -9.145 2.213 1.00 24.13 H new ATOM 0 HD12 ILE A 119 7.491 -7.883 3.257 1.00 24.13 H new ATOM 0 HD13 ILE A 119 6.777 -7.445 1.687 1.00 24.13 H new ATOM 1830 N SER A 120 11.911 -5.453 2.429 1.00 2.43 N ATOM 1831 CA SER A 120 12.657 -4.200 2.459 1.00 14.44 C ATOM 1832 C SER A 120 14.118 -4.428 2.086 1.00 41.25 C ATOM 1833 O SER A 120 14.798 -3.519 1.606 1.00 34.45 O ATOM 1834 CB SER A 120 12.567 -3.562 3.847 1.00 50.51 C ATOM 1835 OG SER A 120 12.862 -2.177 3.791 1.00 13.44 O ATOM 0 H SER A 120 11.451 -5.692 3.308 1.00 2.43 H new ATOM 0 HA SER A 120 12.215 -3.525 1.727 1.00 14.44 H new ATOM 0 HB2 SER A 120 11.566 -3.708 4.254 1.00 50.51 H new ATOM 0 HB3 SER A 120 13.262 -4.058 4.525 1.00 50.51 H new ATOM 0 HG SER A 120 12.796 -1.792 4.690 1.00 13.44 H new ATOM 1841 N HIS A 121 14.596 -5.648 2.308 1.00 33.22 N ATOM 1842 CA HIS A 121 15.977 -5.998 1.995 1.00 53.44 C ATOM 1843 C HIS A 121 16.312 -5.643 0.549 1.00 1.32 C ATOM 1844 O HIS A 121 17.462 -5.349 0.223 1.00 43.24 O ATOM 1845 CB HIS A 121 16.215 -7.489 2.234 1.00 14.22 C ATOM 1846 CG HIS A 121 17.660 -7.879 2.193 1.00 40.03 C ATOM 1847 ND1 HIS A 121 18.250 -8.466 1.093 1.00 10.50 N ATOM 1848 CD2 HIS A 121 18.636 -7.762 3.124 1.00 53.04 C ATOM 1849 CE1 HIS A 121 19.525 -8.694 1.350 1.00 65.11 C ATOM 1850 NE2 HIS A 121 19.785 -8.276 2.576 1.00 42.25 N ATOM 0 H HIS A 121 14.047 -6.411 2.704 1.00 33.22 H new ATOM 0 HA HIS A 121 16.629 -5.424 2.653 1.00 53.44 H new ATOM 0 HB2 HIS A 121 15.800 -7.764 3.204 1.00 14.22 H new ATOM 0 HB3 HIS A 121 15.671 -8.060 1.482 1.00 14.22 H new ATOM 0 HD2 HIS A 121 18.530 -7.342 4.114 1.00 53.04 H new ATOM 0 HE1 HIS A 121 20.235 -9.146 0.673 1.00 65.11 H new ATOM 0 HE2 HIS A 121 20.692 -8.327 3.040 1.00 42.25 H new ATOM 1858 N TYR A 122 15.301 -5.673 -0.312 1.00 42.10 N ATOM 1859 CA TYR A 122 15.490 -5.358 -1.723 1.00 54.41 C ATOM 1860 C TYR A 122 15.037 -3.933 -2.028 1.00 74.12 C ATOM 1861 O TYR A 122 15.647 -3.237 -2.839 1.00 1.02 O ATOM 1862 CB TYR A 122 14.717 -6.348 -2.596 1.00 65.31 C ATOM 1863 CG TYR A 122 14.884 -7.789 -2.169 1.00 62.24 C ATOM 1864 CD1 TYR A 122 16.107 -8.435 -2.297 1.00 64.44 C ATOM 1865 CD2 TYR A 122 13.818 -8.504 -1.637 1.00 62.21 C ATOM 1866 CE1 TYR A 122 16.264 -9.752 -1.910 1.00 12.15 C ATOM 1867 CE2 TYR A 122 13.966 -9.821 -1.245 1.00 52.32 C ATOM 1868 CZ TYR A 122 15.190 -10.440 -1.384 1.00 23.21 C ATOM 1869 OH TYR A 122 15.342 -11.751 -0.995 1.00 24.40 O ATOM 0 H TYR A 122 14.343 -5.912 -0.058 1.00 42.10 H new ATOM 0 HA TYR A 122 16.553 -5.438 -1.948 1.00 54.41 H new ATOM 0 HB2 TYR A 122 13.658 -6.091 -2.572 1.00 65.31 H new ATOM 0 HB3 TYR A 122 15.047 -6.243 -3.629 1.00 65.31 H new ATOM 0 HD1 TYR A 122 16.950 -7.898 -2.706 1.00 64.44 H new ATOM 0 HD2 TYR A 122 12.857 -8.022 -1.528 1.00 62.21 H new ATOM 0 HE1 TYR A 122 17.221 -10.240 -2.019 1.00 12.15 H new ATOM 0 HE2 TYR A 122 13.128 -10.362 -0.832 1.00 52.32 H new ATOM 0 HH TYR A 122 15.359 -12.327 -1.787 1.00 24.40 H new ATOM 1879 N GLN A 123 13.962 -3.508 -1.372 1.00 1.52 N ATOM 1880 CA GLN A 123 13.427 -2.166 -1.572 1.00 75.33 C ATOM 1881 C GLN A 123 13.829 -1.243 -0.427 1.00 41.55 C ATOM 1882 O GLN A 123 13.012 -0.473 0.078 1.00 63.24 O ATOM 1883 CB GLN A 123 11.902 -2.215 -1.692 1.00 23.52 C ATOM 1884 CG GLN A 123 11.411 -3.025 -2.881 1.00 21.32 C ATOM 1885 CD GLN A 123 9.903 -3.175 -2.902 1.00 53.42 C ATOM 1886 OE1 GLN A 123 9.189 -2.307 -3.405 1.00 55.15 O ATOM 1887 NE2 GLN A 123 9.409 -4.279 -2.355 1.00 10.05 N ATOM 0 H GLN A 123 13.445 -4.073 -0.698 1.00 1.52 H new ATOM 0 HA GLN A 123 13.845 -1.770 -2.497 1.00 75.33 H new ATOM 0 HB2 GLN A 123 11.487 -2.640 -0.778 1.00 23.52 H new ATOM 0 HB3 GLN A 123 11.519 -1.198 -1.773 1.00 23.52 H new ATOM 0 HG2 GLN A 123 11.737 -2.544 -3.803 1.00 21.32 H new ATOM 0 HG3 GLN A 123 11.870 -4.013 -2.857 1.00 21.32 H new ATOM 0 HE21 GLN A 123 10.037 -4.972 -1.949 1.00 10.05 H new ATOM 0 HE22 GLN A 123 8.401 -4.434 -2.340 1.00 10.05 H new ATOM 1896 N GLU A 124 15.093 -1.325 -0.023 1.00 72.12 N ATOM 1897 CA GLU A 124 15.602 -0.497 1.063 1.00 3.33 C ATOM 1898 C GLU A 124 15.303 0.978 0.809 1.00 22.03 C ATOM 1899 O GLU A 124 15.542 1.826 1.668 1.00 13.31 O ATOM 1900 CB GLU A 124 17.110 -0.702 1.227 1.00 53.20 C ATOM 1901 CG GLU A 124 17.550 -0.856 2.673 1.00 14.42 C ATOM 1902 CD GLU A 124 18.978 -0.401 2.900 1.00 2.40 C ATOM 1903 OE1 GLU A 124 19.883 -0.930 2.222 1.00 45.03 O ATOM 1904 OE2 GLU A 124 19.191 0.484 3.755 1.00 21.23 O ATOM 0 H GLU A 124 15.782 -1.956 -0.431 1.00 72.12 H new ATOM 0 HA GLU A 124 15.099 -0.799 1.982 1.00 3.33 H new ATOM 0 HB2 GLU A 124 17.410 -1.588 0.668 1.00 53.20 H new ATOM 0 HB3 GLU A 124 17.634 0.146 0.785 1.00 53.20 H new ATOM 0 HG2 GLU A 124 16.883 -0.281 3.315 1.00 14.42 H new ATOM 0 HG3 GLU A 124 17.454 -1.901 2.969 1.00 14.42 H new TER 1911 GLU A 124