USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 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 5 SER OG : rot -159:sc= -1.21! USER MOD Set 1.2: B 44 THR OG1 : rot 149:sc= 1.26 USER MOD Set 1.3: B 47 SER OG : rot -78:sc= 0.433! USER MOD Set 2.1: A 44 THR OG1 : rot 150:sc= 1.3 USER MOD Set 2.2: A 47 SER OG : rot -73:sc= 0.337! USER MOD Set 2.3: B 5 SER OG : rot -155:sc= -1.19! USER MOD Single : A 1 ALA N :NH3+ -115:sc= -1.07 (180deg=-3.52!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 167:sc= -0.403 USER MOD Single : A 14 SER OG : rot -93:sc= 1.98 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.274! USER MOD Single : A 19 LYS NZ :NH3+ -103:sc= -3.19! (180deg=-5.87!) USER MOD Single : A 23 ASN : amide:sc= -4.65! C(o=-4.6!,f=-1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 44:sc= -1.31! USER MOD Single : A 32 SER OG : rot -120:sc= -0.163 USER MOD Single : A 33 SER OG : rot 180:sc= -0.141 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00162 USER MOD Single : A 37 GLN : amide:sc= 0.132 X(o=0.13,f=0) USER MOD Single : A 43 GLN : amide:sc= -1.6 K(o=-1.6,f=-5.9!) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -0.169 (180deg=-1.06!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.52! K(o=-3.5!,f=-0.049) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.4) USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00255 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 1 ALA N :NH3+ -120:sc= -1.02 (180deg=-3.52!) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 THR OG1 : rot 168:sc= -0.457 USER MOD Single : B 14 SER OG : rot -89:sc= 2.04 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.306! USER MOD Single : B 19 LYS NZ :NH3+ -103:sc= -3.16! (180deg=-5.88!) USER MOD Single : B 23 ASN : amide:sc= -4.9! C(o=-4.9!,f=-1.1!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 28:sc= -1.51! USER MOD Single : B 32 SER OG : rot -120:sc= -0.167 USER MOD Single : B 33 SER OG : rot 180:sc= -0.135 USER MOD Single : B 36 SER OG : rot 180:sc= 0.00106 USER MOD Single : B 37 GLN : amide:sc= 0.133 X(o=0.13,f=0) USER MOD Single : B 43 GLN : amide:sc= -1.62 K(o=-1.6,f=-5.9!) USER MOD Single : B 45 LYS NZ :NH3+ -170:sc= -0.112 (180deg=-1.53!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -3.52! K(o=-3.5!,f=-0.047) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.46) USER MOD Single : B 62 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.336 20.006 -8.758 1.00 0.00 N ATOM 2 CA ALA A 1 -14.108 19.259 -9.153 1.00 0.00 C ATOM 3 C ALA A 1 -13.589 18.448 -7.956 1.00 0.00 C ATOM 4 O ALA A 1 -12.534 18.747 -7.431 1.00 0.00 O ATOM 5 CB ALA A 1 -13.031 20.254 -9.592 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.149 19.648 -9.299 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.511 19.874 -7.741 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.206 21.018 -8.958 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.344 18.583 -9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.131 19.712 -9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.395 20.833 -10.441 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.799 20.927 -8.766 1.00 0.00 H new ATOM 13 N PRO A 2 -14.338 17.445 -7.549 1.00 0.00 N ATOM 14 CA PRO A 2 -13.940 16.601 -6.406 1.00 0.00 C ATOM 15 C PRO A 2 -12.616 15.888 -6.724 1.00 0.00 C ATOM 16 O PRO A 2 -12.459 15.287 -7.767 1.00 0.00 O ATOM 17 CB PRO A 2 -15.101 15.593 -6.227 1.00 0.00 C ATOM 18 CG PRO A 2 -16.163 15.902 -7.324 1.00 0.00 C ATOM 19 CD PRO A 2 -15.625 17.073 -8.179 1.00 0.00 C ATOM 0 HA PRO A 2 -13.773 17.173 -5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.738 14.570 -6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.539 15.685 -5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -16.339 15.024 -7.945 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -17.117 16.167 -6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.484 16.772 -9.217 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.321 17.912 -8.182 1.00 0.00 H new ATOM 27 N MET A 3 -11.667 15.953 -5.829 1.00 0.00 N ATOM 28 CA MET A 3 -10.361 15.282 -6.080 1.00 0.00 C ATOM 29 C MET A 3 -10.497 13.784 -5.803 1.00 0.00 C ATOM 30 O MET A 3 -11.588 13.251 -5.737 1.00 0.00 O ATOM 31 CB MET A 3 -9.297 15.877 -5.155 1.00 0.00 C ATOM 32 CG MET A 3 -9.061 17.342 -5.527 1.00 0.00 C ATOM 33 SD MET A 3 -7.723 18.014 -4.511 1.00 0.00 S ATOM 34 CE MET A 3 -7.867 19.733 -5.056 1.00 0.00 C ATOM 0 H MET A 3 -11.740 16.441 -4.936 1.00 0.00 H new ATOM 0 HA MET A 3 -10.067 15.435 -7.118 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.619 15.802 -4.116 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.368 15.314 -5.242 1.00 0.00 H new ATOM 0 HG2 MET A 3 -8.806 17.424 -6.584 1.00 0.00 H new ATOM 0 HG3 MET A 3 -9.973 17.919 -5.374 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.120 20.340 -4.545 1.00 0.00 H new ATOM 0 HE2 MET A 3 -7.705 19.788 -6.133 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.863 20.108 -4.819 1.00 0.00 H new ATOM 44 N GLY A 4 -9.399 13.097 -5.642 1.00 0.00 N ATOM 45 CA GLY A 4 -9.471 11.634 -5.370 1.00 0.00 C ATOM 46 C GLY A 4 -10.288 11.386 -4.108 1.00 0.00 C ATOM 47 O GLY A 4 -10.545 12.282 -3.330 1.00 0.00 O ATOM 0 H GLY A 4 -8.457 13.485 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.926 11.119 -6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.467 11.227 -5.251 1.00 0.00 H new ATOM 51 N SER A 5 -10.703 10.169 -3.908 1.00 0.00 N ATOM 52 CA SER A 5 -11.514 9.834 -2.708 1.00 0.00 C ATOM 53 C SER A 5 -10.584 9.457 -1.543 1.00 0.00 C ATOM 54 O SER A 5 -10.066 10.315 -0.855 1.00 0.00 O ATOM 55 CB SER A 5 -12.423 8.664 -3.064 1.00 0.00 C ATOM 56 OG SER A 5 -11.711 7.780 -3.921 1.00 0.00 O ATOM 0 H SER A 5 -10.513 9.384 -4.531 1.00 0.00 H new ATOM 0 HA SER A 5 -12.115 10.689 -2.400 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.739 8.142 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.326 9.023 -3.557 1.00 0.00 H new ATOM 0 HG SER A 5 -12.347 7.224 -4.418 1.00 0.00 H new ATOM 62 N ASP A 6 -10.358 8.184 -1.316 1.00 0.00 N ATOM 63 CA ASP A 6 -9.451 7.776 -0.194 1.00 0.00 C ATOM 64 C ASP A 6 -8.910 6.360 -0.448 1.00 0.00 C ATOM 65 O ASP A 6 -9.252 5.440 0.269 1.00 0.00 O ATOM 66 CB ASP A 6 -10.228 7.791 1.135 1.00 0.00 C ATOM 67 CG ASP A 6 -9.242 7.855 2.306 1.00 0.00 C ATOM 68 OD1 ASP A 6 -8.732 8.932 2.567 1.00 0.00 O ATOM 69 OD2 ASP A 6 -9.016 6.825 2.921 1.00 0.00 O ATOM 0 H ASP A 6 -10.758 7.415 -1.854 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.619 8.478 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.900 8.648 1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.847 6.898 1.216 1.00 0.00 H new ATOM 74 N PRO A 7 -8.079 6.212 -1.459 1.00 0.00 N ATOM 75 CA PRO A 7 -7.503 4.895 -1.790 1.00 0.00 C ATOM 76 C PRO A 7 -6.574 4.432 -0.647 1.00 0.00 C ATOM 77 O PRO A 7 -6.228 5.219 0.212 1.00 0.00 O ATOM 78 CB PRO A 7 -6.712 5.127 -3.101 1.00 0.00 C ATOM 79 CG PRO A 7 -6.785 6.650 -3.428 1.00 0.00 C ATOM 80 CD PRO A 7 -7.657 7.320 -2.343 1.00 0.00 C ATOM 0 HA PRO A 7 -8.258 4.118 -1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.676 4.809 -2.985 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.137 4.539 -3.915 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.787 7.087 -3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.215 6.809 -4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.093 8.073 -1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.517 7.825 -2.783 1.00 0.00 H new ATOM 88 N PRO A 8 -6.188 3.171 -0.668 1.00 0.00 N ATOM 89 CA PRO A 8 -5.292 2.617 0.369 1.00 0.00 C ATOM 90 C PRO A 8 -3.943 3.355 0.342 1.00 0.00 C ATOM 91 O PRO A 8 -3.838 4.457 -0.156 1.00 0.00 O ATOM 92 CB PRO A 8 -5.123 1.125 -0.010 1.00 0.00 C ATOM 93 CG PRO A 8 -5.825 0.913 -1.382 1.00 0.00 C ATOM 94 CD PRO A 8 -6.606 2.206 -1.707 1.00 0.00 C ATOM 0 HA PRO A 8 -5.690 2.731 1.377 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.067 0.862 -0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.566 0.483 0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.091 0.702 -2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.499 0.058 -1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.367 2.572 -2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.682 2.036 -1.679 1.00 0.00 H new ATOM 102 N THR A 9 -2.914 2.747 0.872 1.00 0.00 N ATOM 103 CA THR A 9 -1.573 3.403 0.876 1.00 0.00 C ATOM 104 C THR A 9 -0.482 2.335 0.902 1.00 0.00 C ATOM 105 O THR A 9 -0.478 1.452 1.736 1.00 0.00 O ATOM 106 CB THR A 9 -1.439 4.288 2.115 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.595 5.105 2.238 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.195 5.170 1.982 1.00 0.00 C ATOM 0 H THR A 9 -2.945 1.823 1.303 1.00 0.00 H new ATOM 0 HA THR A 9 -1.468 4.012 -0.022 1.00 0.00 H new ATOM 0 HB THR A 9 -1.342 3.662 3.002 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.616 5.510 3.130 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.100 5.801 2.866 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.690 4.540 1.889 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.287 5.798 1.096 1.00 0.00 H new ATOM 116 N ALA A 10 0.445 2.414 -0.010 1.00 0.00 N ATOM 117 CA ALA A 10 1.543 1.413 -0.051 1.00 0.00 C ATOM 118 C ALA A 10 2.454 1.599 1.164 1.00 0.00 C ATOM 119 O ALA A 10 3.494 2.222 1.078 1.00 0.00 O ATOM 120 CB ALA A 10 2.352 1.616 -1.330 1.00 0.00 C ATOM 0 H ALA A 10 0.489 3.133 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 10 1.124 0.407 -0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.160 0.886 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.703 1.485 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.771 2.622 -1.340 1.00 0.00 H new ATOM 126 N CYS A 11 2.074 1.053 2.292 1.00 0.00 N ATOM 127 CA CYS A 11 2.913 1.179 3.526 1.00 0.00 C ATOM 128 C CYS A 11 3.539 -0.181 3.836 1.00 0.00 C ATOM 129 O CYS A 11 2.885 -1.204 3.767 1.00 0.00 O ATOM 130 CB CYS A 11 2.031 1.616 4.699 1.00 0.00 C ATOM 131 SG CYS A 11 1.178 3.156 4.274 1.00 0.00 S ATOM 0 H CYS A 11 1.212 0.521 2.413 1.00 0.00 H new ATOM 0 HA CYS A 11 3.696 1.921 3.370 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.304 0.837 4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.640 1.760 5.592 1.00 0.00 H new ATOM 136 N CYS A 12 4.801 -0.206 4.163 1.00 0.00 N ATOM 137 CA CYS A 12 5.464 -1.506 4.465 1.00 0.00 C ATOM 138 C CYS A 12 4.960 -2.041 5.806 1.00 0.00 C ATOM 139 O CYS A 12 4.775 -1.302 6.753 1.00 0.00 O ATOM 140 CB CYS A 12 6.980 -1.304 4.536 1.00 0.00 C ATOM 141 SG CYS A 12 7.595 -0.768 2.921 1.00 0.00 S ATOM 0 H CYS A 12 5.401 0.616 4.234 1.00 0.00 H new ATOM 0 HA CYS A 12 5.228 -2.221 3.677 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.223 -0.560 5.295 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.468 -2.233 4.833 1.00 0.00 H new ATOM 146 N PHE A 13 4.745 -3.329 5.895 1.00 0.00 N ATOM 147 CA PHE A 13 4.261 -3.939 7.172 1.00 0.00 C ATOM 148 C PHE A 13 5.444 -4.619 7.864 1.00 0.00 C ATOM 149 O PHE A 13 5.420 -4.892 9.048 1.00 0.00 O ATOM 150 CB PHE A 13 3.181 -4.981 6.858 1.00 0.00 C ATOM 151 CG PHE A 13 3.807 -6.155 6.143 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.101 -6.067 4.770 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.107 -7.333 6.854 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.692 -7.157 4.107 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.700 -8.423 6.191 1.00 0.00 C ATOM 156 CZ PHE A 13 4.993 -8.335 4.817 1.00 0.00 C ATOM 0 H PHE A 13 4.885 -3.990 5.131 1.00 0.00 H new ATOM 0 HA PHE A 13 3.840 -3.171 7.822 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.704 -5.315 7.779 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.402 -4.537 6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.873 -5.163 4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.882 -7.400 7.908 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.915 -7.091 3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.930 -9.327 6.736 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.449 -9.171 4.307 1.00 0.00 H new ATOM 166 N SER A 14 6.479 -4.895 7.120 1.00 0.00 N ATOM 167 CA SER A 14 7.678 -5.557 7.700 1.00 0.00 C ATOM 168 C SER A 14 8.894 -5.221 6.835 1.00 0.00 C ATOM 169 O SER A 14 8.935 -4.192 6.189 1.00 0.00 O ATOM 170 CB SER A 14 7.468 -7.072 7.719 1.00 0.00 C ATOM 171 OG SER A 14 7.466 -7.562 6.385 1.00 0.00 O ATOM 0 H SER A 14 6.544 -4.687 6.124 1.00 0.00 H new ATOM 0 HA SER A 14 7.838 -5.205 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.259 -7.553 8.294 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.525 -7.314 8.209 1.00 0.00 H new ATOM 0 HG SER A 14 6.546 -7.589 6.048 1.00 0.00 H new ATOM 177 N TYR A 15 9.886 -6.069 6.815 1.00 0.00 N ATOM 178 CA TYR A 15 11.096 -5.777 5.987 1.00 0.00 C ATOM 179 C TYR A 15 11.801 -7.083 5.625 1.00 0.00 C ATOM 180 O TYR A 15 11.603 -8.104 6.253 1.00 0.00 O ATOM 181 CB TYR A 15 12.059 -4.891 6.786 1.00 0.00 C ATOM 182 CG TYR A 15 11.285 -3.817 7.513 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.933 -2.628 6.847 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.917 -4.007 8.859 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.211 -1.629 7.528 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.195 -3.007 9.539 1.00 0.00 C ATOM 187 CZ TYR A 15 9.843 -1.818 8.873 1.00 0.00 C ATOM 188 OH TYR A 15 9.136 -0.839 9.540 1.00 0.00 O ATOM 0 H TYR A 15 9.914 -6.948 7.332 1.00 0.00 H new ATOM 0 HA TYR A 15 10.791 -5.263 5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.616 -5.497 7.500 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.789 -4.436 6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.216 -2.482 5.815 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.188 -4.919 9.370 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.939 -0.717 7.017 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.912 -3.152 10.571 1.00 0.00 H new ATOM 0 HH TYR A 15 8.962 -1.130 10.459 1.00 0.00 H new ATOM 198 N THR A 16 12.635 -7.054 4.622 1.00 0.00 N ATOM 199 CA THR A 16 13.362 -8.295 4.235 1.00 0.00 C ATOM 200 C THR A 16 14.196 -8.763 5.430 1.00 0.00 C ATOM 201 O THR A 16 13.960 -8.361 6.552 1.00 0.00 O ATOM 202 CB THR A 16 14.260 -8.014 3.021 1.00 0.00 C ATOM 203 OG1 THR A 16 15.059 -9.154 2.744 1.00 0.00 O ATOM 204 CG2 THR A 16 15.162 -6.812 3.301 1.00 0.00 C ATOM 0 H THR A 16 12.843 -6.231 4.057 1.00 0.00 H new ATOM 0 HA THR A 16 12.655 -9.078 3.959 1.00 0.00 H new ATOM 0 HB THR A 16 13.631 -7.793 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.630 -8.973 1.968 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.794 -6.622 2.434 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.547 -5.935 3.501 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.789 -7.021 4.168 1.00 0.00 H new ATOM 212 N ALA A 17 15.168 -9.607 5.211 1.00 0.00 N ATOM 213 CA ALA A 17 16.010 -10.096 6.345 1.00 0.00 C ATOM 214 C ALA A 17 17.448 -10.268 5.860 1.00 0.00 C ATOM 215 O ALA A 17 18.267 -10.883 6.513 1.00 0.00 O ATOM 216 CB ALA A 17 15.470 -11.442 6.833 1.00 0.00 C ATOM 0 H ALA A 17 15.417 -9.980 4.295 1.00 0.00 H new ATOM 0 HA ALA A 17 15.983 -9.377 7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.082 -11.801 7.660 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.440 -11.321 7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.502 -12.164 6.017 1.00 0.00 H new ATOM 222 N ARG A 18 17.757 -9.723 4.713 1.00 0.00 N ATOM 223 CA ARG A 18 19.140 -9.839 4.163 1.00 0.00 C ATOM 224 C ARG A 18 19.531 -8.512 3.512 1.00 0.00 C ATOM 225 O ARG A 18 18.815 -7.983 2.684 1.00 0.00 O ATOM 226 CB ARG A 18 19.178 -10.942 3.099 1.00 0.00 C ATOM 227 CG ARG A 18 18.924 -12.315 3.741 1.00 0.00 C ATOM 228 CD ARG A 18 20.092 -12.710 4.656 1.00 0.00 C ATOM 229 NE ARG A 18 20.148 -14.196 4.765 1.00 0.00 N ATOM 230 CZ ARG A 18 21.216 -14.776 5.240 1.00 0.00 C ATOM 231 NH1 ARG A 18 22.236 -14.056 5.617 1.00 0.00 N ATOM 232 NH2 ARG A 18 21.263 -16.077 5.338 1.00 0.00 N ATOM 0 H ARG A 18 17.106 -9.198 4.129 1.00 0.00 H new ATOM 0 HA ARG A 18 19.833 -10.082 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.425 -10.746 2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.147 -10.941 2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.998 -12.288 4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.794 -13.067 2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.030 -12.327 4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.963 -12.266 5.643 1.00 0.00 H new ATOM 0 HE ARG A 18 19.351 -14.759 4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.199 -13.040 5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 18 23.071 -14.509 5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.465 -16.640 5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 18 22.098 -16.531 5.709 1.00 0.00 H new ATOM 246 N LYS A 19 20.665 -7.971 3.866 1.00 0.00 N ATOM 247 CA LYS A 19 21.093 -6.685 3.250 1.00 0.00 C ATOM 248 C LYS A 19 21.278 -6.913 1.749 1.00 0.00 C ATOM 249 O LYS A 19 21.971 -7.818 1.329 1.00 0.00 O ATOM 250 CB LYS A 19 22.415 -6.228 3.898 1.00 0.00 C ATOM 251 CG LYS A 19 22.985 -4.985 3.187 1.00 0.00 C ATOM 252 CD LYS A 19 24.441 -4.761 3.612 1.00 0.00 C ATOM 253 CE LYS A 19 24.562 -4.801 5.139 1.00 0.00 C ATOM 254 NZ LYS A 19 24.588 -6.218 5.598 1.00 0.00 N ATOM 0 H LYS A 19 21.310 -8.363 4.552 1.00 0.00 H new ATOM 0 HA LYS A 19 20.344 -5.909 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.248 -6.003 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.142 -7.039 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 19 22.929 -5.116 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.386 -4.108 3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 19 25.078 -5.527 3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.792 -3.799 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.470 -4.288 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.723 -4.275 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 23.659 -6.473 5.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.807 -6.840 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.316 -6.332 6.332 1.00 0.00 H new ATOM 268 N LEU A 20 20.661 -6.099 0.938 1.00 0.00 N ATOM 269 CA LEU A 20 20.801 -6.272 -0.534 1.00 0.00 C ATOM 270 C LEU A 20 22.210 -5.813 -0.970 1.00 0.00 C ATOM 271 O LEU A 20 22.552 -4.670 -0.741 1.00 0.00 O ATOM 272 CB LEU A 20 19.771 -5.390 -1.246 1.00 0.00 C ATOM 273 CG LEU A 20 18.389 -5.562 -0.612 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.351 -4.861 -1.489 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.038 -7.050 -0.507 1.00 0.00 C ATOM 0 H LEU A 20 20.067 -5.323 1.231 1.00 0.00 H new ATOM 0 HA LEU A 20 20.647 -7.320 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.076 -4.345 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.728 -5.652 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 20 18.394 -5.127 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.362 -4.978 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.593 -3.801 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.357 -5.304 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.053 -7.160 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.032 -7.493 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.780 -7.556 0.111 1.00 0.00 H new ATOM 287 N PRO A 21 23.002 -6.672 -1.596 1.00 0.00 N ATOM 288 CA PRO A 21 24.345 -6.258 -2.042 1.00 0.00 C ATOM 289 C PRO A 21 24.231 -5.019 -2.933 1.00 0.00 C ATOM 290 O PRO A 21 23.290 -4.878 -3.686 1.00 0.00 O ATOM 291 CB PRO A 21 24.893 -7.464 -2.839 1.00 0.00 C ATOM 292 CG PRO A 21 23.904 -8.645 -2.626 1.00 0.00 C ATOM 293 CD PRO A 21 22.659 -8.080 -1.907 1.00 0.00 C ATOM 0 HA PRO A 21 25.003 -5.996 -1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.977 -7.219 -3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.892 -7.732 -2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.626 -9.090 -3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.368 -9.431 -2.030 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.775 -8.140 -2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.438 -8.642 -1.000 1.00 0.00 H new ATOM 301 N ARG A 22 25.183 -4.133 -2.871 1.00 0.00 N ATOM 302 CA ARG A 22 25.122 -2.926 -3.739 1.00 0.00 C ATOM 303 C ARG A 22 24.861 -3.383 -5.177 1.00 0.00 C ATOM 304 O ARG A 22 24.184 -2.726 -5.941 1.00 0.00 O ATOM 305 CB ARG A 22 26.458 -2.168 -3.660 1.00 0.00 C ATOM 306 CG ARG A 22 26.354 -0.782 -4.348 1.00 0.00 C ATOM 307 CD ARG A 22 26.819 -0.865 -5.809 1.00 0.00 C ATOM 308 NE ARG A 22 26.853 0.505 -6.393 1.00 0.00 N ATOM 309 CZ ARG A 22 27.493 0.724 -7.509 1.00 0.00 C ATOM 310 NH1 ARG A 22 28.103 -0.258 -8.113 1.00 0.00 N ATOM 311 NH2 ARG A 22 27.523 1.924 -8.019 1.00 0.00 N ATOM 0 H ARG A 22 25.998 -4.191 -2.260 1.00 0.00 H new ATOM 0 HA ARG A 22 24.324 -2.260 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.746 -2.039 -2.617 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.242 -2.756 -4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.324 -0.427 -4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 22 26.962 -0.056 -3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 22 27.808 -1.320 -5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 22 26.144 -1.501 -6.382 1.00 0.00 H new ATOM 0 HE ARG A 22 26.376 1.272 -5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 22 28.079 -1.196 -7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 22 28.604 -0.088 -8.985 1.00 0.00 H new ATOM 0 HH21 ARG A 22 27.046 2.691 -7.546 1.00 0.00 H new ATOM 0 HH22 ARG A 22 28.023 2.095 -8.891 1.00 0.00 H new ATOM 325 N ASN A 23 25.396 -4.520 -5.539 1.00 0.00 N ATOM 326 CA ASN A 23 25.186 -5.045 -6.918 1.00 0.00 C ATOM 327 C ASN A 23 23.753 -5.560 -7.055 1.00 0.00 C ATOM 328 O ASN A 23 23.437 -6.305 -7.962 1.00 0.00 O ATOM 329 CB ASN A 23 26.167 -6.189 -7.183 1.00 0.00 C ATOM 330 CG ASN A 23 27.579 -5.748 -6.795 1.00 0.00 C ATOM 331 OD1 ASN A 23 28.518 -6.511 -6.904 1.00 0.00 O ATOM 332 ND2 ASN A 23 27.769 -4.540 -6.344 1.00 0.00 N ATOM 0 H ASN A 23 25.971 -5.108 -4.936 1.00 0.00 H new ATOM 0 HA ASN A 23 25.355 -4.247 -7.640 1.00 0.00 H new ATOM 0 HB2 ASN A 23 25.879 -7.070 -6.609 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.138 -6.471 -8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 23 28.706 -4.235 -6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 23 26.980 -3.900 -6.253 1.00 0.00 H new ATOM 339 N PHE A 24 22.882 -5.177 -6.156 1.00 0.00 N ATOM 340 CA PHE A 24 21.464 -5.654 -6.222 1.00 0.00 C ATOM 341 C PHE A 24 20.533 -4.496 -5.850 1.00 0.00 C ATOM 342 O PHE A 24 19.443 -4.694 -5.351 1.00 0.00 O ATOM 343 CB PHE A 24 21.285 -6.817 -5.230 1.00 0.00 C ATOM 344 CG PHE A 24 20.094 -7.671 -5.618 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.076 -8.332 -6.863 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.007 -7.816 -4.731 1.00 0.00 C ATOM 347 CE1 PHE A 24 18.976 -9.133 -7.221 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.906 -8.617 -5.092 1.00 0.00 C ATOM 349 CZ PHE A 24 17.892 -9.276 -6.335 1.00 0.00 C ATOM 0 H PHE A 24 23.091 -4.553 -5.377 1.00 0.00 H new ATOM 0 HA PHE A 24 21.223 -5.998 -7.228 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.187 -7.428 -5.212 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.145 -6.425 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 24 20.908 -8.223 -7.543 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.019 -7.313 -3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 24 18.964 -9.638 -8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.072 -8.725 -4.414 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.049 -9.892 -6.609 1.00 0.00 H new ATOM 359 N VAL A 25 20.960 -3.285 -6.098 1.00 0.00 N ATOM 360 CA VAL A 25 20.118 -2.096 -5.773 1.00 0.00 C ATOM 361 C VAL A 25 20.433 -0.984 -6.774 1.00 0.00 C ATOM 362 O VAL A 25 21.294 -0.157 -6.548 1.00 0.00 O ATOM 363 CB VAL A 25 20.439 -1.608 -4.359 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.495 -0.463 -3.984 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.254 -2.754 -3.363 1.00 0.00 C ATOM 0 H VAL A 25 21.865 -3.067 -6.516 1.00 0.00 H new ATOM 0 HA VAL A 25 19.063 -2.365 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 25 21.471 -1.259 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.725 -0.117 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.623 0.359 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.464 -0.815 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.484 -2.402 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.222 -3.104 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.924 -3.573 -3.623 1.00 0.00 H new ATOM 375 N VAL A 26 19.748 -0.961 -7.886 1.00 0.00 N ATOM 376 CA VAL A 26 20.013 0.090 -8.907 1.00 0.00 C ATOM 377 C VAL A 26 19.242 1.357 -8.553 1.00 0.00 C ATOM 378 O VAL A 26 19.464 2.408 -9.121 1.00 0.00 O ATOM 379 CB VAL A 26 19.557 -0.416 -10.274 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.506 -1.514 -10.753 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.139 -0.982 -10.161 1.00 0.00 C ATOM 0 H VAL A 26 19.015 -1.627 -8.130 1.00 0.00 H new ATOM 0 HA VAL A 26 21.079 0.314 -8.932 1.00 0.00 H new ATOM 0 HB VAL A 26 19.564 0.408 -10.988 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.181 -1.876 -11.729 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.516 -1.112 -10.833 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.498 -2.338 -10.040 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.813 -1.343 -11.136 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.132 -1.806 -9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.461 -0.200 -9.819 1.00 0.00 H new ATOM 391 N ASP A 27 18.338 1.272 -7.620 1.00 0.00 N ATOM 392 CA ASP A 27 17.560 2.480 -7.242 1.00 0.00 C ATOM 393 C ASP A 27 16.756 2.185 -5.983 1.00 0.00 C ATOM 394 O ASP A 27 16.901 1.146 -5.370 1.00 0.00 O ATOM 395 CB ASP A 27 16.606 2.849 -8.380 1.00 0.00 C ATOM 396 CG ASP A 27 16.055 4.258 -8.151 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.831 5.122 -7.777 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.867 4.447 -8.353 1.00 0.00 O ATOM 0 H ASP A 27 18.105 0.423 -7.105 1.00 0.00 H new ATOM 0 HA ASP A 27 18.241 3.311 -7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.128 2.803 -9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.787 2.131 -8.429 1.00 0.00 H new ATOM 403 N TYR A 28 15.904 3.089 -5.590 1.00 0.00 N ATOM 404 CA TYR A 28 15.090 2.852 -4.370 1.00 0.00 C ATOM 405 C TYR A 28 13.818 3.691 -4.428 1.00 0.00 C ATOM 406 O TYR A 28 13.532 4.356 -5.403 1.00 0.00 O ATOM 407 CB TYR A 28 15.900 3.205 -3.117 1.00 0.00 C ATOM 408 CG TYR A 28 16.027 4.709 -2.962 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.707 5.467 -3.936 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.473 5.349 -1.835 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.832 6.860 -3.784 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.598 6.741 -1.681 1.00 0.00 C ATOM 413 CZ TYR A 28 16.277 7.498 -2.655 1.00 0.00 C ATOM 414 OH TYR A 28 16.401 8.865 -2.506 1.00 0.00 O ATOM 0 H TYR A 28 15.737 3.979 -6.060 1.00 0.00 H new ATOM 0 HA TYR A 28 14.818 1.797 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.416 2.784 -2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.891 2.757 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.133 4.978 -4.800 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.951 4.769 -1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.353 7.441 -4.531 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.174 7.229 -0.816 1.00 0.00 H new ATOM 0 HH TYR A 28 15.962 9.145 -1.676 1.00 0.00 H new ATOM 424 N TYR A 29 13.053 3.643 -3.386 1.00 0.00 N ATOM 425 CA TYR A 29 11.783 4.406 -3.343 1.00 0.00 C ATOM 426 C TYR A 29 11.344 4.515 -1.880 1.00 0.00 C ATOM 427 O TYR A 29 11.532 3.602 -1.110 1.00 0.00 O ATOM 428 CB TYR A 29 10.739 3.645 -4.180 1.00 0.00 C ATOM 429 CG TYR A 29 9.339 4.070 -3.804 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.888 5.360 -4.131 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.489 3.175 -3.126 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.584 5.760 -3.780 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.185 3.573 -2.774 1.00 0.00 C ATOM 434 CZ TYR A 29 6.732 4.866 -3.101 1.00 0.00 C ATOM 435 OH TYR A 29 5.454 5.258 -2.756 1.00 0.00 O ATOM 0 H TYR A 29 13.255 3.099 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 29 11.899 5.410 -3.752 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.909 3.833 -5.240 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.853 2.572 -4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.541 6.045 -4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.837 2.184 -2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.237 6.751 -4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.533 2.887 -2.254 1.00 0.00 H new ATOM 0 HH TYR A 29 5.000 4.523 -2.294 1.00 0.00 H new ATOM 445 N GLU A 30 10.766 5.617 -1.483 1.00 0.00 N ATOM 446 CA GLU A 30 10.321 5.759 -0.060 1.00 0.00 C ATOM 447 C GLU A 30 8.821 5.461 0.028 1.00 0.00 C ATOM 448 O GLU A 30 8.097 5.582 -0.940 1.00 0.00 O ATOM 449 CB GLU A 30 10.590 7.184 0.422 1.00 0.00 C ATOM 450 CG GLU A 30 12.093 7.463 0.381 1.00 0.00 C ATOM 451 CD GLU A 30 12.538 7.657 -1.070 1.00 0.00 C ATOM 452 OE1 GLU A 30 12.444 8.773 -1.554 1.00 0.00 O ATOM 453 OE2 GLU A 30 12.963 6.685 -1.673 1.00 0.00 O ATOM 0 H GLU A 30 10.582 6.425 -2.078 1.00 0.00 H new ATOM 0 HA GLU A 30 10.872 5.059 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.060 7.898 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.213 7.313 1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.324 8.354 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.640 6.635 0.832 1.00 0.00 H new ATOM 460 N THR A 31 8.353 5.064 1.178 1.00 0.00 N ATOM 461 CA THR A 31 6.901 4.745 1.329 1.00 0.00 C ATOM 462 C THR A 31 6.075 6.031 1.323 1.00 0.00 C ATOM 463 O THR A 31 6.551 7.092 0.974 1.00 0.00 O ATOM 464 CB THR A 31 6.684 4.017 2.656 1.00 0.00 C ATOM 465 OG1 THR A 31 7.389 4.702 3.672 1.00 0.00 O ATOM 466 CG2 THR A 31 7.198 2.581 2.540 1.00 0.00 C ATOM 0 H THR A 31 8.912 4.946 2.023 1.00 0.00 H new ATOM 0 HA THR A 31 6.586 4.114 0.498 1.00 0.00 H new ATOM 0 HB THR A 31 5.622 3.993 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.249 5.667 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.043 2.062 3.486 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.656 2.063 1.749 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.262 2.593 2.302 1.00 0.00 H new ATOM 474 N SER A 32 4.833 5.935 1.714 1.00 0.00 N ATOM 475 CA SER A 32 3.956 7.136 1.742 1.00 0.00 C ATOM 476 C SER A 32 4.185 7.907 3.042 1.00 0.00 C ATOM 477 O SER A 32 5.271 7.926 3.586 1.00 0.00 O ATOM 478 CB SER A 32 2.495 6.693 1.669 1.00 0.00 C ATOM 479 OG SER A 32 2.312 5.869 0.525 1.00 0.00 O ATOM 0 H SER A 32 4.387 5.069 2.017 1.00 0.00 H new ATOM 0 HA SER A 32 4.190 7.778 0.893 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.223 6.147 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.841 7.563 1.613 1.00 0.00 H new ATOM 0 HG SER A 32 1.648 6.277 -0.069 1.00 0.00 H new ATOM 485 N SER A 33 3.161 8.543 3.541 1.00 0.00 N ATOM 486 CA SER A 33 3.288 9.324 4.809 1.00 0.00 C ATOM 487 C SER A 33 2.027 9.118 5.639 1.00 0.00 C ATOM 488 O SER A 33 2.066 9.053 6.852 1.00 0.00 O ATOM 489 CB SER A 33 3.423 10.804 4.472 1.00 0.00 C ATOM 490 OG SER A 33 2.135 11.346 4.216 1.00 0.00 O ATOM 0 H SER A 33 2.231 8.556 3.122 1.00 0.00 H new ATOM 0 HA SER A 33 4.163 8.991 5.367 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.896 11.335 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.065 10.933 3.600 1.00 0.00 H new ATOM 0 HG SER A 33 2.218 12.298 4.001 1.00 0.00 H new ATOM 496 N LEU A 34 0.905 9.022 4.977 1.00 0.00 N ATOM 497 CA LEU A 34 -0.395 8.822 5.682 1.00 0.00 C ATOM 498 C LEU A 34 -0.223 7.846 6.848 1.00 0.00 C ATOM 499 O LEU A 34 -0.521 8.158 7.983 1.00 0.00 O ATOM 500 CB LEU A 34 -1.421 8.246 4.702 1.00 0.00 C ATOM 501 CG LEU A 34 -1.318 8.957 3.352 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.471 8.504 2.451 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.393 10.473 3.561 1.00 0.00 C ATOM 0 H LEU A 34 0.833 9.075 3.961 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.738 9.783 6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.251 7.177 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.426 8.362 5.107 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.368 8.707 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.400 9.009 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.413 7.426 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.421 8.754 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.319 10.977 2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.342 10.729 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.571 10.793 4.202 1.00 0.00 H new ATOM 515 N CYS A 35 0.253 6.668 6.569 1.00 0.00 N ATOM 516 CA CYS A 35 0.441 5.671 7.655 1.00 0.00 C ATOM 517 C CYS A 35 1.592 6.123 8.560 1.00 0.00 C ATOM 518 O CYS A 35 2.656 6.477 8.101 1.00 0.00 O ATOM 519 CB CYS A 35 0.755 4.299 7.044 1.00 0.00 C ATOM 520 SG CYS A 35 1.860 4.498 5.623 1.00 0.00 S ATOM 0 H CYS A 35 0.520 6.352 5.637 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.471 5.592 8.247 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.221 3.656 7.791 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.168 3.810 6.733 1.00 0.00 H new ATOM 525 N SER A 36 1.371 6.140 9.845 1.00 0.00 N ATOM 526 CA SER A 36 2.434 6.586 10.793 1.00 0.00 C ATOM 527 C SER A 36 3.622 5.612 10.800 1.00 0.00 C ATOM 528 O SER A 36 4.265 5.435 11.816 1.00 0.00 O ATOM 529 CB SER A 36 1.846 6.669 12.201 1.00 0.00 C ATOM 530 OG SER A 36 1.209 5.437 12.517 1.00 0.00 O ATOM 0 H SER A 36 0.493 5.862 10.284 1.00 0.00 H new ATOM 0 HA SER A 36 2.794 7.563 10.470 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.633 6.881 12.925 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.129 7.488 12.261 1.00 0.00 H new ATOM 0 HG SER A 36 0.832 5.486 13.420 1.00 0.00 H new ATOM 536 N GLN A 37 3.936 4.969 9.700 1.00 0.00 N ATOM 537 CA GLN A 37 5.094 4.020 9.717 1.00 0.00 C ATOM 538 C GLN A 37 5.710 3.872 8.316 1.00 0.00 C ATOM 539 O GLN A 37 5.667 2.800 7.748 1.00 0.00 O ATOM 540 CB GLN A 37 4.612 2.649 10.201 1.00 0.00 C ATOM 541 CG GLN A 37 3.314 2.275 9.480 1.00 0.00 C ATOM 542 CD GLN A 37 2.933 0.836 9.829 1.00 0.00 C ATOM 543 OE1 GLN A 37 2.283 0.592 10.826 1.00 0.00 O ATOM 544 NE2 GLN A 37 3.314 -0.135 9.045 1.00 0.00 N ATOM 0 H GLN A 37 3.451 5.057 8.807 1.00 0.00 H new ATOM 0 HA GLN A 37 5.855 4.416 10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.376 1.896 10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.448 2.670 11.278 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.514 2.955 9.772 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.442 2.377 8.402 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.860 0.070 8.208 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.066 -1.099 9.269 1.00 0.00 H new ATOM 553 N PRO A 38 6.287 4.937 7.802 1.00 0.00 N ATOM 554 CA PRO A 38 6.935 4.898 6.476 1.00 0.00 C ATOM 555 C PRO A 38 8.191 4.016 6.554 1.00 0.00 C ATOM 556 O PRO A 38 8.505 3.451 7.583 1.00 0.00 O ATOM 557 CB PRO A 38 7.305 6.370 6.175 1.00 0.00 C ATOM 558 CG PRO A 38 7.024 7.193 7.466 1.00 0.00 C ATOM 559 CD PRO A 38 6.339 6.250 8.481 1.00 0.00 C ATOM 0 HA PRO A 38 6.297 4.481 5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.353 6.451 5.888 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.716 6.751 5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.952 7.589 7.877 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.384 8.047 7.244 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.904 6.192 9.411 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.340 6.603 8.737 1.00 0.00 H new ATOM 567 N ALA A 39 8.903 3.905 5.473 1.00 0.00 N ATOM 568 CA ALA A 39 10.137 3.080 5.455 1.00 0.00 C ATOM 569 C ALA A 39 10.835 3.312 4.120 1.00 0.00 C ATOM 570 O ALA A 39 10.292 3.945 3.237 1.00 0.00 O ATOM 571 CB ALA A 39 9.773 1.600 5.588 1.00 0.00 C ATOM 0 H ALA A 39 8.679 4.358 4.587 1.00 0.00 H new ATOM 0 HA ALA A 39 10.789 3.357 6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.682 0.999 5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.245 1.438 6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.132 1.307 4.757 1.00 0.00 H new ATOM 577 N VAL A 40 12.016 2.785 3.944 1.00 0.00 N ATOM 578 CA VAL A 40 12.722 2.959 2.640 1.00 0.00 C ATOM 579 C VAL A 40 12.497 1.689 1.822 1.00 0.00 C ATOM 580 O VAL A 40 12.432 0.600 2.356 1.00 0.00 O ATOM 581 CB VAL A 40 14.222 3.177 2.878 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.990 2.966 1.569 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.449 4.609 3.363 1.00 0.00 C ATOM 0 H VAL A 40 12.522 2.243 4.644 1.00 0.00 H new ATOM 0 HA VAL A 40 12.336 3.829 2.108 1.00 0.00 H new ATOM 0 HB VAL A 40 14.576 2.467 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.055 3.122 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.826 1.950 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.637 3.676 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.513 4.771 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.092 5.310 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.904 4.769 4.293 1.00 0.00 H new ATOM 593 N VAL A 41 12.358 1.832 0.534 1.00 0.00 N ATOM 594 CA VAL A 41 12.112 0.650 -0.353 1.00 0.00 C ATOM 595 C VAL A 41 13.231 0.549 -1.395 1.00 0.00 C ATOM 596 O VAL A 41 13.413 1.430 -2.205 1.00 0.00 O ATOM 597 CB VAL A 41 10.756 0.838 -1.045 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.233 -0.499 -1.563 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.752 1.405 -0.037 1.00 0.00 C ATOM 0 H VAL A 41 12.404 2.727 0.048 1.00 0.00 H new ATOM 0 HA VAL A 41 12.101 -0.269 0.233 1.00 0.00 H new ATOM 0 HB VAL A 41 10.880 1.523 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.270 -0.349 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.942 -0.914 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.113 -1.190 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.786 1.541 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.644 0.713 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.111 2.366 0.333 1.00 0.00 H new ATOM 609 N PHE A 42 13.996 -0.512 -1.377 1.00 0.00 N ATOM 610 CA PHE A 42 15.111 -0.645 -2.365 1.00 0.00 C ATOM 611 C PHE A 42 14.624 -1.349 -3.634 1.00 0.00 C ATOM 612 O PHE A 42 13.923 -2.340 -3.584 1.00 0.00 O ATOM 613 CB PHE A 42 16.249 -1.472 -1.750 1.00 0.00 C ATOM 614 CG PHE A 42 17.004 -0.642 -0.736 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.719 0.500 -1.151 1.00 0.00 C ATOM 616 CD2 PHE A 42 17.002 -1.015 0.623 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.428 1.267 -0.207 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.713 -0.248 1.564 1.00 0.00 C ATOM 619 CZ PHE A 42 18.426 0.894 1.149 1.00 0.00 C ATOM 0 H PHE A 42 13.898 -1.290 -0.724 1.00 0.00 H new ATOM 0 HA PHE A 42 15.465 0.354 -2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.844 -2.364 -1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.928 -1.810 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.723 0.786 -2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.455 -1.890 0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.974 2.143 -0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.712 -0.535 2.605 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.971 1.483 1.872 1.00 0.00 H new ATOM 629 N GLN A 43 15.027 -0.853 -4.776 1.00 0.00 N ATOM 630 CA GLN A 43 14.636 -1.486 -6.070 1.00 0.00 C ATOM 631 C GLN A 43 15.826 -2.330 -6.541 1.00 0.00 C ATOM 632 O GLN A 43 16.924 -1.819 -6.691 1.00 0.00 O ATOM 633 CB GLN A 43 14.326 -0.386 -7.088 1.00 0.00 C ATOM 634 CG GLN A 43 13.083 0.386 -6.640 1.00 0.00 C ATOM 635 CD GLN A 43 12.902 1.619 -7.527 1.00 0.00 C ATOM 636 OE1 GLN A 43 13.469 2.661 -7.263 1.00 0.00 O ATOM 637 NE2 GLN A 43 12.129 1.546 -8.575 1.00 0.00 N ATOM 0 H GLN A 43 15.617 -0.026 -4.867 1.00 0.00 H new ATOM 0 HA GLN A 43 13.751 -2.113 -5.958 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.175 0.291 -7.178 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.161 -0.823 -8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.202 -0.253 -6.703 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.185 0.687 -5.597 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.653 0.672 -8.797 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.001 2.363 -9.172 1.00 0.00 H new ATOM 646 N THR A 44 15.647 -3.624 -6.726 1.00 0.00 N ATOM 647 CA THR A 44 16.818 -4.483 -7.127 1.00 0.00 C ATOM 648 C THR A 44 16.851 -4.739 -8.633 1.00 0.00 C ATOM 649 O THR A 44 16.229 -4.050 -9.417 1.00 0.00 O ATOM 650 CB THR A 44 16.725 -5.828 -6.412 1.00 0.00 C ATOM 651 OG1 THR A 44 15.837 -6.673 -7.126 1.00 0.00 O ATOM 652 CG2 THR A 44 16.200 -5.618 -4.989 1.00 0.00 C ATOM 0 H THR A 44 14.759 -4.115 -6.619 1.00 0.00 H new ATOM 0 HA THR A 44 17.727 -3.950 -6.848 1.00 0.00 H new ATOM 0 HB THR A 44 17.712 -6.288 -6.366 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.104 -7.608 -7.002 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.134 -6.580 -4.480 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.880 -4.964 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.211 -5.161 -5.030 1.00 0.00 H new ATOM 660 N LYS A 45 17.601 -5.741 -9.029 1.00 0.00 N ATOM 661 CA LYS A 45 17.731 -6.094 -10.475 1.00 0.00 C ATOM 662 C LYS A 45 16.962 -7.389 -10.764 1.00 0.00 C ATOM 663 O LYS A 45 16.632 -7.678 -11.897 1.00 0.00 O ATOM 664 CB LYS A 45 19.212 -6.320 -10.814 1.00 0.00 C ATOM 665 CG LYS A 45 20.076 -5.220 -10.192 1.00 0.00 C ATOM 666 CD LYS A 45 21.551 -5.515 -10.487 1.00 0.00 C ATOM 667 CE LYS A 45 22.417 -4.325 -10.065 1.00 0.00 C ATOM 668 NZ LYS A 45 23.829 -4.775 -9.899 1.00 0.00 N ATOM 0 H LYS A 45 18.136 -6.337 -8.398 1.00 0.00 H new ATOM 0 HA LYS A 45 17.326 -5.280 -11.077 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.531 -7.295 -10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.347 -6.329 -11.896 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.798 -4.248 -10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.909 -5.174 -9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.865 -6.412 -9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.685 -5.714 -11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.361 -3.536 -10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.046 -3.904 -9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 24.352 -4.076 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.845 -5.695 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.276 -4.868 -10.833 1.00 0.00 H new ATOM 682 N ARG A 46 16.684 -8.178 -9.749 1.00 0.00 N ATOM 683 CA ARG A 46 15.949 -9.468 -9.967 1.00 0.00 C ATOM 684 C ARG A 46 14.813 -9.568 -8.944 1.00 0.00 C ATOM 685 O ARG A 46 14.671 -10.543 -8.239 1.00 0.00 O ATOM 686 CB ARG A 46 16.930 -10.648 -9.795 1.00 0.00 C ATOM 687 CG ARG A 46 16.419 -11.915 -10.522 1.00 0.00 C ATOM 688 CD ARG A 46 15.358 -12.653 -9.689 1.00 0.00 C ATOM 689 NE ARG A 46 15.342 -14.102 -10.073 1.00 0.00 N ATOM 690 CZ ARG A 46 15.218 -14.477 -11.320 1.00 0.00 C ATOM 691 NH1 ARG A 46 14.902 -13.614 -12.245 1.00 0.00 N ATOM 692 NH2 ARG A 46 15.351 -15.738 -11.631 1.00 0.00 N ATOM 0 H ARG A 46 16.935 -7.984 -8.780 1.00 0.00 H new ATOM 0 HA ARG A 46 15.531 -9.501 -10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.908 -10.371 -10.188 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.061 -10.863 -8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 46 15.996 -11.636 -11.487 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.256 -12.584 -10.722 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.578 -12.550 -8.626 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.376 -12.210 -9.856 1.00 0.00 H new ATOM 0 HE ARG A 46 15.430 -14.812 -9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.749 -12.636 -11.999 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.808 -13.917 -13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.550 -16.424 -10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.255 -16.037 -12.602 1.00 0.00 H new ATOM 706 N SER A 47 13.999 -8.558 -8.868 1.00 0.00 N ATOM 707 CA SER A 47 12.863 -8.579 -7.920 1.00 0.00 C ATOM 708 C SER A 47 11.948 -7.412 -8.270 1.00 0.00 C ATOM 709 O SER A 47 11.470 -7.297 -9.380 1.00 0.00 O ATOM 710 CB SER A 47 13.366 -8.458 -6.475 1.00 0.00 C ATOM 711 OG SER A 47 13.777 -7.125 -6.217 1.00 0.00 O ATOM 0 H SER A 47 14.075 -7.710 -9.430 1.00 0.00 H new ATOM 0 HA SER A 47 12.320 -9.521 -7.998 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.576 -8.745 -5.781 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.198 -9.143 -6.312 1.00 0.00 H new ATOM 0 HG SER A 47 14.627 -6.951 -6.672 1.00 0.00 H new ATOM 717 N LYS A 48 11.721 -6.542 -7.345 1.00 0.00 N ATOM 718 CA LYS A 48 10.859 -5.367 -7.610 1.00 0.00 C ATOM 719 C LYS A 48 11.189 -4.311 -6.569 1.00 0.00 C ATOM 720 O LYS A 48 12.126 -3.549 -6.706 1.00 0.00 O ATOM 721 CB LYS A 48 9.380 -5.758 -7.484 1.00 0.00 C ATOM 722 CG LYS A 48 8.965 -6.650 -8.660 1.00 0.00 C ATOM 723 CD LYS A 48 7.437 -6.688 -8.760 1.00 0.00 C ATOM 724 CE LYS A 48 7.025 -7.509 -9.984 1.00 0.00 C ATOM 725 NZ LYS A 48 5.585 -7.270 -10.280 1.00 0.00 N ATOM 0 H LYS A 48 12.100 -6.592 -6.399 1.00 0.00 H new ATOM 0 HA LYS A 48 11.034 -4.991 -8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.214 -6.284 -6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.760 -4.862 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.391 -6.268 -9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.356 -7.658 -8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.014 -7.126 -7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.042 -5.675 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.635 -7.231 -10.844 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.198 -8.569 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.304 -7.828 -11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.010 -7.556 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.433 -6.259 -10.474 1.00 0.00 H new ATOM 739 N GLN A 49 10.422 -4.290 -5.513 1.00 0.00 N ATOM 740 CA GLN A 49 10.643 -3.318 -4.407 1.00 0.00 C ATOM 741 C GLN A 49 10.854 -4.111 -3.109 1.00 0.00 C ATOM 742 O GLN A 49 10.234 -5.137 -2.892 1.00 0.00 O ATOM 743 CB GLN A 49 9.389 -2.428 -4.292 1.00 0.00 C ATOM 744 CG GLN A 49 9.594 -1.115 -5.061 1.00 0.00 C ATOM 745 CD GLN A 49 8.349 -0.238 -4.916 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.235 0.787 -5.558 1.00 0.00 O ATOM 747 NE2 GLN A 49 7.403 -0.600 -4.093 1.00 0.00 N ATOM 0 H GLN A 49 9.634 -4.921 -5.369 1.00 0.00 H new ATOM 0 HA GLN A 49 11.515 -2.692 -4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.522 -2.957 -4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.181 -2.214 -3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.469 -0.589 -4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.784 -1.324 -6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.498 -1.460 -3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.569 -0.022 -3.989 1.00 0.00 H new ATOM 756 N VAL A 50 11.725 -3.648 -2.246 1.00 0.00 N ATOM 757 CA VAL A 50 11.979 -4.371 -0.958 1.00 0.00 C ATOM 758 C VAL A 50 11.968 -3.365 0.183 1.00 0.00 C ATOM 759 O VAL A 50 12.739 -2.432 0.205 1.00 0.00 O ATOM 760 CB VAL A 50 13.347 -5.076 -1.012 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.389 -6.201 0.034 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.572 -5.649 -2.421 1.00 0.00 C ATOM 0 H VAL A 50 12.273 -2.798 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 50 11.202 -5.119 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 50 14.138 -4.360 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.358 -6.699 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.238 -5.780 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.601 -6.924 -0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.540 -6.148 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.784 -6.366 -2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.551 -4.839 -3.151 1.00 0.00 H new ATOM 772 N CYS A 51 11.104 -3.555 1.135 1.00 0.00 N ATOM 773 CA CYS A 51 11.034 -2.609 2.277 1.00 0.00 C ATOM 774 C CYS A 51 12.252 -2.814 3.172 1.00 0.00 C ATOM 775 O CYS A 51 12.763 -3.909 3.303 1.00 0.00 O ATOM 776 CB CYS A 51 9.759 -2.881 3.077 1.00 0.00 C ATOM 777 SG CYS A 51 8.312 -2.457 2.074 1.00 0.00 S ATOM 0 H CYS A 51 10.440 -4.328 1.172 1.00 0.00 H new ATOM 0 HA CYS A 51 11.021 -1.583 1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.717 -3.930 3.369 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.762 -2.295 3.996 1.00 0.00 H new ATOM 782 N ALA A 52 12.729 -1.761 3.781 1.00 0.00 N ATOM 783 CA ALA A 52 13.927 -1.874 4.666 1.00 0.00 C ATOM 784 C ALA A 52 13.727 -0.986 5.895 1.00 0.00 C ATOM 785 O ALA A 52 13.355 0.167 5.787 1.00 0.00 O ATOM 786 CB ALA A 52 15.166 -1.407 3.899 1.00 0.00 C ATOM 0 H ALA A 52 12.339 -0.822 3.703 1.00 0.00 H new ATOM 0 HA ALA A 52 14.060 -2.910 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.043 -1.488 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.304 -2.031 3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.035 -0.369 3.593 1.00 0.00 H new ATOM 792 N ASP A 53 13.966 -1.515 7.065 1.00 0.00 N ATOM 793 CA ASP A 53 13.782 -0.703 8.299 1.00 0.00 C ATOM 794 C ASP A 53 14.853 0.418 8.340 1.00 0.00 C ATOM 795 O ASP A 53 16.028 0.108 8.350 1.00 0.00 O ATOM 796 CB ASP A 53 13.956 -1.610 9.523 1.00 0.00 C ATOM 797 CG ASP A 53 15.401 -2.101 9.601 1.00 0.00 C ATOM 798 OD1 ASP A 53 16.213 -1.393 10.171 1.00 0.00 O ATOM 799 OD2 ASP A 53 15.672 -3.176 9.090 1.00 0.00 O ATOM 0 H ASP A 53 14.280 -2.473 7.218 1.00 0.00 H new ATOM 0 HA ASP A 53 12.787 -0.259 8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.698 -1.065 10.431 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.276 -2.460 9.457 1.00 0.00 H new ATOM 804 N PRO A 54 14.458 1.686 8.362 1.00 0.00 N ATOM 805 CA PRO A 54 15.450 2.784 8.401 1.00 0.00 C ATOM 806 C PRO A 54 16.318 2.672 9.664 1.00 0.00 C ATOM 807 O PRO A 54 17.230 3.447 9.874 1.00 0.00 O ATOM 808 CB PRO A 54 14.613 4.083 8.424 1.00 0.00 C ATOM 809 CG PRO A 54 13.111 3.678 8.375 1.00 0.00 C ATOM 810 CD PRO A 54 13.044 2.137 8.347 1.00 0.00 C ATOM 0 HA PRO A 54 16.130 2.757 7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.825 4.659 9.325 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.866 4.717 7.574 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.581 4.069 9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.630 4.098 7.492 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.498 1.751 9.208 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.527 1.781 7.456 1.00 0.00 H new ATOM 818 N SER A 55 16.024 1.730 10.513 1.00 0.00 N ATOM 819 CA SER A 55 16.812 1.585 11.772 1.00 0.00 C ATOM 820 C SER A 55 18.171 0.941 11.482 1.00 0.00 C ATOM 821 O SER A 55 19.110 1.099 12.236 1.00 0.00 O ATOM 822 CB SER A 55 16.036 0.707 12.755 1.00 0.00 C ATOM 823 OG SER A 55 16.618 0.821 14.046 1.00 0.00 O ATOM 0 H SER A 55 15.272 1.052 10.392 1.00 0.00 H new ATOM 0 HA SER A 55 16.975 2.573 12.202 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.990 1.013 12.787 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.054 -0.332 12.426 1.00 0.00 H new ATOM 0 HG SER A 55 16.122 0.261 14.679 1.00 0.00 H new ATOM 829 N GLU A 56 18.294 0.219 10.401 1.00 0.00 N ATOM 830 CA GLU A 56 19.604 -0.422 10.084 1.00 0.00 C ATOM 831 C GLU A 56 20.532 0.610 9.433 1.00 0.00 C ATOM 832 O GLU A 56 20.240 1.168 8.394 1.00 0.00 O ATOM 833 CB GLU A 56 19.384 -1.602 9.135 1.00 0.00 C ATOM 834 CG GLU A 56 18.921 -2.833 9.927 1.00 0.00 C ATOM 835 CD GLU A 56 20.124 -3.483 10.619 1.00 0.00 C ATOM 836 OE1 GLU A 56 21.068 -3.822 9.925 1.00 0.00 O ATOM 837 OE2 GLU A 56 20.078 -3.630 11.829 1.00 0.00 O ATOM 0 H GLU A 56 17.549 0.045 9.726 1.00 0.00 H new ATOM 0 HA GLU A 56 20.063 -0.788 11.002 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.639 -1.341 8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.308 -1.828 8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.176 -2.542 10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.443 -3.549 9.259 1.00 0.00 H new ATOM 844 N SER A 57 21.643 0.870 10.059 1.00 0.00 N ATOM 845 CA SER A 57 22.610 1.868 9.525 1.00 0.00 C ATOM 846 C SER A 57 22.929 1.607 8.050 1.00 0.00 C ATOM 847 O SER A 57 23.079 2.530 7.275 1.00 0.00 O ATOM 848 CB SER A 57 23.903 1.798 10.337 1.00 0.00 C ATOM 849 OG SER A 57 23.665 2.304 11.644 1.00 0.00 O ATOM 0 H SER A 57 21.927 0.426 10.932 1.00 0.00 H new ATOM 0 HA SER A 57 22.159 2.857 9.607 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.256 0.768 10.392 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.685 2.378 9.847 1.00 0.00 H new ATOM 0 HG SER A 57 24.492 2.259 12.168 1.00 0.00 H new ATOM 855 N TRP A 58 23.058 0.371 7.646 1.00 0.00 N ATOM 856 CA TRP A 58 23.394 0.111 6.218 1.00 0.00 C ATOM 857 C TRP A 58 22.294 0.673 5.325 1.00 0.00 C ATOM 858 O TRP A 58 22.543 1.116 4.226 1.00 0.00 O ATOM 859 CB TRP A 58 23.609 -1.390 5.968 1.00 0.00 C ATOM 860 CG TRP A 58 22.313 -2.136 5.880 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.834 -2.960 6.841 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.349 -2.181 4.785 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.638 -3.505 6.411 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.290 -3.054 5.157 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.281 -1.556 3.517 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.205 -3.297 4.305 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.189 -1.799 2.657 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.153 -2.668 3.053 1.00 0.00 C ATOM 0 H TRP A 58 22.947 -0.456 8.232 1.00 0.00 H new ATOM 0 HA TRP A 58 24.330 0.614 5.975 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.169 -1.527 5.043 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.214 -1.808 6.772 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.309 -3.160 7.790 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.081 -4.162 6.957 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.071 -0.888 3.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.413 -3.965 4.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.147 -1.317 1.691 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.319 -2.850 2.392 1.00 0.00 H new ATOM 879 N VAL A 59 21.082 0.694 5.794 1.00 0.00 N ATOM 880 CA VAL A 59 19.991 1.257 4.960 1.00 0.00 C ATOM 881 C VAL A 59 20.262 2.741 4.756 1.00 0.00 C ATOM 882 O VAL A 59 20.192 3.251 3.656 1.00 0.00 O ATOM 883 CB VAL A 59 18.657 1.062 5.675 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.527 1.693 4.854 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.408 -0.436 5.836 1.00 0.00 C ATOM 0 H VAL A 59 20.801 0.349 6.712 1.00 0.00 H new ATOM 0 HA VAL A 59 19.949 0.753 3.994 1.00 0.00 H new ATOM 0 HB VAL A 59 18.685 1.542 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.578 1.550 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.717 2.759 4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.481 1.219 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.458 -0.594 6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.376 -0.907 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.213 -0.878 6.424 1.00 0.00 H new ATOM 895 N GLN A 60 20.596 3.435 5.803 1.00 0.00 N ATOM 896 CA GLN A 60 20.895 4.886 5.658 1.00 0.00 C ATOM 897 C GLN A 60 22.153 5.057 4.800 1.00 0.00 C ATOM 898 O GLN A 60 22.259 5.972 4.007 1.00 0.00 O ATOM 899 CB GLN A 60 21.129 5.503 7.039 1.00 0.00 C ATOM 900 CG GLN A 60 21.188 7.027 6.914 1.00 0.00 C ATOM 901 CD GLN A 60 19.797 7.566 6.579 1.00 0.00 C ATOM 902 OE1 GLN A 60 19.492 7.823 5.431 1.00 0.00 O ATOM 903 NE2 GLN A 60 18.934 7.751 7.540 1.00 0.00 N ATOM 0 H GLN A 60 20.675 3.064 6.750 1.00 0.00 H new ATOM 0 HA GLN A 60 20.054 5.387 5.179 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.327 5.214 7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.059 5.126 7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.545 7.465 7.846 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.897 7.311 6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.190 7.535 8.504 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.004 8.111 7.328 1.00 0.00 H new ATOM 912 N GLU A 61 23.110 4.182 4.958 1.00 0.00 N ATOM 913 CA GLU A 61 24.367 4.284 4.161 1.00 0.00 C ATOM 914 C GLU A 61 24.071 4.055 2.676 1.00 0.00 C ATOM 915 O GLU A 61 24.491 4.815 1.825 1.00 0.00 O ATOM 916 CB GLU A 61 25.365 3.232 4.648 1.00 0.00 C ATOM 917 CG GLU A 61 26.738 3.505 4.029 1.00 0.00 C ATOM 918 CD GLU A 61 27.696 2.367 4.388 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.600 1.867 5.496 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.508 2.016 3.548 1.00 0.00 O ATOM 0 H GLU A 61 23.075 3.397 5.608 1.00 0.00 H new ATOM 0 HA GLU A 61 24.789 5.281 4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.433 3.256 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 61 25.022 2.235 4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.650 3.592 2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.131 4.454 4.394 1.00 0.00 H new ATOM 927 N TYR A 62 23.359 3.012 2.357 1.00 0.00 N ATOM 928 CA TYR A 62 23.042 2.730 0.927 1.00 0.00 C ATOM 929 C TYR A 62 22.230 3.893 0.344 1.00 0.00 C ATOM 930 O TYR A 62 22.385 4.251 -0.806 1.00 0.00 O ATOM 931 CB TYR A 62 22.229 1.427 0.819 1.00 0.00 C ATOM 932 CG TYR A 62 23.147 0.215 0.849 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.110 0.066 1.870 1.00 0.00 C ATOM 934 CD2 TYR A 62 23.028 -0.775 -0.149 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.946 -1.067 1.889 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.866 -1.904 -0.129 1.00 0.00 C ATOM 937 CZ TYR A 62 24.825 -2.052 0.890 1.00 0.00 C ATOM 938 OH TYR A 62 25.645 -3.161 0.910 1.00 0.00 O ATOM 0 H TYR A 62 22.981 2.340 3.025 1.00 0.00 H new ATOM 0 HA TYR A 62 23.971 2.619 0.368 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.515 1.369 1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.651 1.429 -0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.206 0.821 2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.291 -0.665 -0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.682 -1.181 2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.773 -2.658 -0.896 1.00 0.00 H new ATOM 0 HH TYR A 62 25.429 -3.741 0.150 1.00 0.00 H new ATOM 948 N VAL A 63 21.375 4.489 1.127 1.00 0.00 N ATOM 949 CA VAL A 63 20.574 5.627 0.611 1.00 0.00 C ATOM 950 C VAL A 63 21.524 6.774 0.300 1.00 0.00 C ATOM 951 O VAL A 63 21.387 7.464 -0.689 1.00 0.00 O ATOM 952 CB VAL A 63 19.562 6.062 1.674 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.909 7.385 1.264 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.482 4.985 1.815 1.00 0.00 C ATOM 0 H VAL A 63 21.198 4.236 2.099 1.00 0.00 H new ATOM 0 HA VAL A 63 20.033 5.335 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 63 20.076 6.197 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 63 18.190 7.687 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.676 8.153 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.396 7.257 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.759 5.291 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.974 4.852 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.943 4.044 2.114 1.00 0.00 H new ATOM 964 N TYR A 64 22.494 6.974 1.143 1.00 0.00 N ATOM 965 CA TYR A 64 23.464 8.069 0.912 1.00 0.00 C ATOM 966 C TYR A 64 24.217 7.802 -0.389 1.00 0.00 C ATOM 967 O TYR A 64 24.434 8.687 -1.191 1.00 0.00 O ATOM 968 CB TYR A 64 24.456 8.116 2.078 1.00 0.00 C ATOM 969 CG TYR A 64 25.152 9.459 2.105 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.454 10.605 2.531 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.499 9.564 1.704 1.00 0.00 C ATOM 972 CE1 TYR A 64 25.101 11.856 2.556 1.00 0.00 C ATOM 973 CE2 TYR A 64 27.146 10.815 1.729 1.00 0.00 C ATOM 974 CZ TYR A 64 26.447 11.961 2.155 1.00 0.00 C ATOM 975 OH TYR A 64 27.081 13.185 2.180 1.00 0.00 O ATOM 0 H TYR A 64 22.655 6.422 1.985 1.00 0.00 H new ATOM 0 HA TYR A 64 22.940 9.022 0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.933 7.948 3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 64 25.191 7.317 1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.422 10.525 2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 64 27.035 8.685 1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.565 12.735 2.883 1.00 0.00 H new ATOM 0 HE2 TYR A 64 28.178 10.895 1.421 1.00 0.00 H new ATOM 0 HH TYR A 64 28.006 13.081 1.874 1.00 0.00 H new ATOM 985 N ASP A 65 24.615 6.582 -0.595 1.00 0.00 N ATOM 986 CA ASP A 65 25.359 6.234 -1.838 1.00 0.00 C ATOM 987 C ASP A 65 24.476 6.508 -3.058 1.00 0.00 C ATOM 988 O ASP A 65 24.948 6.908 -4.103 1.00 0.00 O ATOM 989 CB ASP A 65 25.733 4.748 -1.797 1.00 0.00 C ATOM 990 CG ASP A 65 26.954 4.548 -0.897 1.00 0.00 C ATOM 991 OD1 ASP A 65 26.763 4.336 0.289 1.00 0.00 O ATOM 992 OD2 ASP A 65 28.059 4.608 -1.410 1.00 0.00 O ATOM 0 H ASP A 65 24.457 5.805 0.046 1.00 0.00 H new ATOM 0 HA ASP A 65 26.263 6.839 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.894 4.162 -1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.948 4.389 -2.804 1.00 0.00 H new ATOM 997 N LEU A 66 23.198 6.295 -2.929 1.00 0.00 N ATOM 998 CA LEU A 66 22.276 6.539 -4.072 1.00 0.00 C ATOM 999 C LEU A 66 22.132 8.047 -4.299 1.00 0.00 C ATOM 1000 O LEU A 66 21.927 8.502 -5.406 1.00 0.00 O ATOM 1001 CB LEU A 66 20.910 5.922 -3.744 1.00 0.00 C ATOM 1002 CG LEU A 66 20.932 4.403 -4.021 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.827 3.711 -3.218 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.686 4.128 -5.515 1.00 0.00 C ATOM 0 H LEU A 66 22.749 5.960 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 66 22.673 6.084 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.661 6.105 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.134 6.398 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 66 21.909 4.018 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.848 2.640 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.987 3.885 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.858 4.115 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.704 3.053 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.714 4.528 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.465 4.608 -6.107 1.00 0.00 H new ATOM 1016 N GLU A 67 22.245 8.823 -3.260 1.00 0.00 N ATOM 1017 CA GLU A 67 22.123 10.301 -3.416 1.00 0.00 C ATOM 1018 C GLU A 67 23.381 10.836 -4.095 1.00 0.00 C ATOM 1019 O GLU A 67 23.357 11.844 -4.772 1.00 0.00 O ATOM 1020 CB GLU A 67 21.980 10.951 -2.038 1.00 0.00 C ATOM 1021 CG GLU A 67 20.604 10.623 -1.467 1.00 0.00 C ATOM 1022 CD GLU A 67 20.384 11.412 -0.175 1.00 0.00 C ATOM 1023 OE1 GLU A 67 20.882 12.522 -0.090 1.00 0.00 O ATOM 1024 OE2 GLU A 67 19.720 10.892 0.708 1.00 0.00 O ATOM 0 H GLU A 67 22.417 8.500 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 67 21.246 10.534 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.760 10.588 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 67 22.106 12.031 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.829 10.871 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.526 9.554 -1.270 1.00 0.00 H new ATOM 1031 N LEU A 68 24.481 10.161 -3.921 1.00 0.00 N ATOM 1032 CA LEU A 68 25.748 10.620 -4.558 1.00 0.00 C ATOM 1033 C LEU A 68 25.735 10.249 -6.042 1.00 0.00 C ATOM 1034 O LEU A 68 25.229 10.981 -6.870 1.00 0.00 O ATOM 1035 CB LEU A 68 26.940 9.947 -3.882 1.00 0.00 C ATOM 1036 CG LEU A 68 27.030 10.393 -2.419 1.00 0.00 C ATOM 1037 CD1 LEU A 68 28.163 9.624 -1.747 1.00 0.00 C ATOM 1038 CD2 LEU A 68 27.309 11.908 -2.329 1.00 0.00 C ATOM 0 H LEU A 68 24.559 9.310 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 68 25.833 11.701 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 68 26.835 8.863 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 68 27.860 10.204 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 68 26.083 10.189 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 68 28.241 9.929 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 68 27.957 8.555 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 68 29.101 9.837 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.369 12.205 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 68 28.253 12.134 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.502 12.456 -2.816 1.00 0.00 H new ATOM 1050 N ASN A 69 26.289 9.118 -6.387 1.00 0.00 N ATOM 1051 CA ASN A 69 26.311 8.696 -7.818 1.00 0.00 C ATOM 1052 C ASN A 69 25.047 7.894 -8.133 1.00 0.00 C ATOM 1053 O ASN A 69 24.922 6.795 -7.616 1.00 0.00 O ATOM 1054 CB ASN A 69 27.542 7.822 -8.071 1.00 0.00 C ATOM 1055 CG ASN A 69 28.789 8.531 -7.539 1.00 0.00 C ATOM 1056 OD1 ASN A 69 29.151 8.369 -6.391 1.00 0.00 O ATOM 1057 ND2 ASN A 69 29.464 9.318 -8.332 1.00 0.00 N ATOM 1058 OXT ASN A 69 24.226 8.390 -8.885 1.00 0.00 O ATOM 0 H ASN A 69 26.729 8.466 -5.738 1.00 0.00 H new ATOM 0 HA ASN A 69 26.351 9.578 -8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 69 27.423 6.856 -7.580 1.00 0.00 H new ATOM 0 HB3 ASN A 69 27.649 7.626 -9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 69 30.296 9.797 -7.988 1.00 0.00 H new ATOM 0 HD22 ASN A 69 29.160 9.454 -9.296 1.00 0.00 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 15.252 -20.070 -8.434 1.00 0.00 N ATOM 1067 CA ALA B 1 14.026 -19.330 -8.842 1.00 0.00 C ATOM 1068 C ALA B 1 13.504 -18.501 -7.659 1.00 0.00 C ATOM 1069 O ALA B 1 12.448 -18.793 -7.133 1.00 0.00 O ATOM 1070 CB ALA B 1 12.952 -20.331 -9.271 1.00 0.00 C ATOM 0 H1 ALA B 1 16.049 -19.780 -9.036 1.00 0.00 H new ATOM 0 H2 ALA B 1 15.473 -19.855 -7.441 1.00 0.00 H new ATOM 0 H3 ALA B 1 15.092 -21.092 -8.540 1.00 0.00 H new ATOM 0 HA ALA B 1 14.264 -18.665 -9.672 1.00 0.00 H new ATOM 0 HB1 ALA B 1 12.052 -19.793 -9.571 1.00 0.00 H new ATOM 0 HB2 ALA B 1 13.319 -20.921 -10.111 1.00 0.00 H new ATOM 0 HB3 ALA B 1 12.718 -20.993 -8.437 1.00 0.00 H new ATOM 1078 N PRO B 2 14.253 -17.492 -7.263 1.00 0.00 N ATOM 1079 CA PRO B 2 13.850 -16.632 -6.134 1.00 0.00 C ATOM 1080 C PRO B 2 12.529 -15.924 -6.464 1.00 0.00 C ATOM 1081 O PRO B 2 12.374 -15.338 -7.518 1.00 0.00 O ATOM 1082 CB PRO B 2 15.012 -15.622 -5.966 1.00 0.00 C ATOM 1083 CG PRO B 2 16.076 -15.947 -7.056 1.00 0.00 C ATOM 1084 CD PRO B 2 15.540 -17.129 -7.895 1.00 0.00 C ATOM 0 HA PRO B 2 13.678 -17.192 -5.214 1.00 0.00 H new ATOM 0 HB2 PRO B 2 14.650 -14.600 -6.076 1.00 0.00 H new ATOM 0 HB3 PRO B 2 15.447 -15.701 -4.970 1.00 0.00 H new ATOM 0 HG2 PRO B 2 16.253 -15.078 -7.689 1.00 0.00 H new ATOM 0 HG3 PRO B 2 17.029 -16.206 -6.595 1.00 0.00 H new ATOM 0 HD2 PRO B 2 15.401 -16.843 -8.937 1.00 0.00 H new ATOM 0 HD3 PRO B 2 16.236 -17.968 -7.885 1.00 0.00 H new ATOM 1092 N MET B 3 11.577 -15.976 -5.573 1.00 0.00 N ATOM 1093 CA MET B 3 10.272 -15.309 -5.836 1.00 0.00 C ATOM 1094 C MET B 3 10.406 -13.807 -5.580 1.00 0.00 C ATOM 1095 O MET B 3 11.497 -13.274 -5.518 1.00 0.00 O ATOM 1096 CB MET B 3 9.204 -15.892 -4.907 1.00 0.00 C ATOM 1097 CG MET B 3 8.970 -17.361 -5.257 1.00 0.00 C ATOM 1098 SD MET B 3 7.628 -18.019 -4.236 1.00 0.00 S ATOM 1099 CE MET B 3 7.774 -19.746 -4.757 1.00 0.00 C ATOM 0 H MET B 3 11.647 -16.452 -4.674 1.00 0.00 H new ATOM 0 HA MET B 3 9.981 -15.476 -6.873 1.00 0.00 H new ATOM 0 HB2 MET B 3 9.522 -15.801 -3.868 1.00 0.00 H new ATOM 0 HB3 MET B 3 8.275 -15.331 -5.007 1.00 0.00 H new ATOM 0 HG2 MET B 3 8.719 -17.459 -6.313 1.00 0.00 H new ATOM 0 HG3 MET B 3 9.882 -17.935 -5.092 1.00 0.00 H new ATOM 0 HE1 MET B 3 7.025 -20.346 -4.240 1.00 0.00 H new ATOM 0 HE2 MET B 3 7.616 -19.816 -5.833 1.00 0.00 H new ATOM 0 HE3 MET B 3 8.769 -20.117 -4.512 1.00 0.00 H new ATOM 1109 N GLY B 4 9.308 -13.118 -5.431 1.00 0.00 N ATOM 1110 CA GLY B 4 9.379 -11.651 -5.180 1.00 0.00 C ATOM 1111 C GLY B 4 10.193 -11.386 -3.920 1.00 0.00 C ATOM 1112 O GLY B 4 10.448 -12.272 -3.128 1.00 0.00 O ATOM 0 H GLY B 4 8.366 -13.507 -5.472 1.00 0.00 H new ATOM 0 HA2 GLY B 4 9.836 -11.148 -6.032 1.00 0.00 H new ATOM 0 HA3 GLY B 4 8.375 -11.242 -5.069 1.00 0.00 H new ATOM 1116 N SER B 5 10.608 -10.166 -3.736 1.00 0.00 N ATOM 1117 CA SER B 5 11.416 -9.814 -2.538 1.00 0.00 C ATOM 1118 C SER B 5 10.481 -9.420 -1.380 1.00 0.00 C ATOM 1119 O SER B 5 9.962 -10.269 -0.682 1.00 0.00 O ATOM 1120 CB SER B 5 12.325 -8.649 -2.908 1.00 0.00 C ATOM 1121 OG SER B 5 11.615 -7.778 -3.779 1.00 0.00 O ATOM 0 H SER B 5 10.420 -9.390 -4.371 1.00 0.00 H new ATOM 0 HA SER B 5 12.017 -10.665 -2.217 1.00 0.00 H new ATOM 0 HB2 SER B 5 12.638 -8.114 -2.011 1.00 0.00 H new ATOM 0 HB3 SER B 5 13.230 -9.015 -3.394 1.00 0.00 H new ATOM 0 HG SER B 5 12.252 -7.274 -4.328 1.00 0.00 H new ATOM 1127 N ASP B 6 10.255 -8.144 -1.171 1.00 0.00 N ATOM 1128 CA ASP B 6 9.345 -7.722 -0.059 1.00 0.00 C ATOM 1129 C ASP B 6 8.804 -6.308 -0.334 1.00 0.00 C ATOM 1130 O ASP B 6 9.145 -5.379 0.370 1.00 0.00 O ATOM 1131 CB ASP B 6 10.118 -7.718 1.273 1.00 0.00 C ATOM 1132 CG ASP B 6 9.130 -7.765 2.442 1.00 0.00 C ATOM 1133 OD1 ASP B 6 8.618 -8.838 2.716 1.00 0.00 O ATOM 1134 OD2 ASP B 6 8.901 -6.727 3.041 1.00 0.00 O ATOM 0 H ASP B 6 10.658 -7.383 -1.717 1.00 0.00 H new ATOM 0 HA ASP B 6 8.513 -8.424 0.003 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.790 -8.575 1.317 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.737 -6.824 1.343 1.00 0.00 H new ATOM 1139 N PRO B 7 7.977 -6.176 -1.349 1.00 0.00 N ATOM 1140 CA PRO B 7 7.401 -4.864 -1.701 1.00 0.00 C ATOM 1141 C PRO B 7 6.470 -4.384 -0.566 1.00 0.00 C ATOM 1142 O PRO B 7 6.121 -5.159 0.302 1.00 0.00 O ATOM 1143 CB PRO B 7 6.615 -5.114 -3.010 1.00 0.00 C ATOM 1144 CG PRO B 7 6.688 -6.640 -3.316 1.00 0.00 C ATOM 1145 CD PRO B 7 7.557 -7.295 -2.219 1.00 0.00 C ATOM 0 HA PRO B 7 8.156 -4.089 -1.834 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.579 -4.794 -2.902 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.043 -4.538 -3.830 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.689 -7.077 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.121 -6.813 -4.301 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.992 -8.040 -1.659 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.418 -7.806 -2.650 1.00 0.00 H new ATOM 1153 N PRO B 8 6.084 -3.123 -0.606 1.00 0.00 N ATOM 1154 CA PRO B 8 5.185 -2.555 0.420 1.00 0.00 C ATOM 1155 C PRO B 8 3.836 -3.293 0.399 1.00 0.00 C ATOM 1156 O PRO B 8 3.732 -4.402 -0.083 1.00 0.00 O ATOM 1157 CB PRO B 8 5.017 -1.068 0.019 1.00 0.00 C ATOM 1158 CG PRO B 8 5.723 -0.876 -1.354 1.00 0.00 C ATOM 1159 CD PRO B 8 6.504 -2.172 -1.659 1.00 0.00 C ATOM 0 HA PRO B 8 5.580 -2.655 1.431 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.961 -0.806 -0.052 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.458 -0.415 0.772 1.00 0.00 H new ATOM 0 HG2 PRO B 8 4.991 -0.676 -2.137 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.397 -0.020 -1.322 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.267 -2.552 -2.653 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.580 -2.001 -1.631 1.00 0.00 H new ATOM 1167 N THR B 9 2.805 -2.678 0.918 1.00 0.00 N ATOM 1168 CA THR B 9 1.464 -3.333 0.928 1.00 0.00 C ATOM 1169 C THR B 9 0.373 -2.266 0.935 1.00 0.00 C ATOM 1170 O THR B 9 0.367 -1.371 1.757 1.00 0.00 O ATOM 1171 CB THR B 9 1.327 -4.201 2.178 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.482 -5.017 2.316 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.084 -5.085 2.054 1.00 0.00 C ATOM 0 H THR B 9 2.835 -1.748 1.336 1.00 0.00 H new ATOM 0 HA THR B 9 1.362 -3.954 0.038 1.00 0.00 H new ATOM 0 HB THR B 9 1.228 -3.562 3.056 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.484 -5.434 3.203 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.013 -5.704 2.946 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.801 -4.457 1.950 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.179 -5.725 1.177 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.551 -2.357 0.023 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.649 -1.358 -0.035 1.00 0.00 C ATOM 1183 C ALA B 10 -2.563 -1.526 1.179 1.00 0.00 C ATOM 1184 O ALA B 10 -3.603 -2.150 1.100 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.455 -1.578 -1.314 1.00 0.00 C ATOM 0 H ALA B 10 -0.592 -3.086 -0.689 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.229 -0.352 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.263 -0.849 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.804 -1.458 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.874 -2.584 -1.312 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.187 -0.964 2.300 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.029 -1.073 3.534 1.00 0.00 C ATOM 1193 C CYS B 11 -3.656 0.292 3.822 1.00 0.00 C ATOM 1194 O CYS B 11 -3.002 1.314 3.741 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.150 -1.492 4.715 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.294 -3.038 4.314 1.00 0.00 S ATOM 0 H CYS B 11 -1.326 -0.430 2.416 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.811 -1.818 3.388 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.425 -0.710 4.937 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.761 -1.623 5.608 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.919 0.322 4.146 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.582 1.625 4.428 1.00 0.00 C ATOM 1203 C CYS B 12 -5.082 2.180 5.763 1.00 0.00 C ATOM 1204 O CYS B 12 -4.901 1.453 6.720 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.099 1.425 4.497 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.709 0.865 2.888 1.00 0.00 S ATOM 0 H CYS B 12 -5.520 -0.498 4.227 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.343 2.329 3.631 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.345 0.693 5.266 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.587 2.358 4.778 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.867 3.468 5.834 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.387 4.095 7.104 1.00 0.00 C ATOM 1213 C PHE B 13 -5.572 4.787 7.783 1.00 0.00 C ATOM 1214 O PHE B 13 -5.551 5.075 8.963 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.306 5.134 6.778 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.930 6.297 6.045 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.220 6.189 4.673 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.231 7.486 6.738 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.810 7.271 3.992 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.823 8.566 6.059 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.113 8.459 4.685 1.00 0.00 C ATOM 0 H PHE B 13 -5.004 4.119 5.060 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.969 3.336 7.765 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.832 5.481 7.696 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.525 4.682 6.167 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.990 5.277 4.142 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.007 7.568 7.791 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.030 7.190 2.938 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.055 9.477 6.591 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.568 9.288 4.163 1.00 0.00 H new ATOM 1231 N SER B 14 -6.606 5.051 7.032 1.00 0.00 N ATOM 1232 CA SER B 14 -7.807 5.723 7.600 1.00 0.00 C ATOM 1233 C SER B 14 -9.019 5.372 6.736 1.00 0.00 C ATOM 1234 O SER B 14 -9.058 4.336 6.105 1.00 0.00 O ATOM 1235 CB SER B 14 -7.597 7.237 7.598 1.00 0.00 C ATOM 1236 OG SER B 14 -7.590 7.708 6.257 1.00 0.00 O ATOM 0 H SER B 14 -6.670 4.827 6.039 1.00 0.00 H new ATOM 0 HA SER B 14 -7.971 5.388 8.624 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.390 7.727 8.163 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.656 7.486 8.088 1.00 0.00 H new ATOM 0 HG SER B 14 -6.678 7.670 5.902 1.00 0.00 H new ATOM 1242 N TYR B 15 -10.011 6.221 6.701 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.218 5.917 5.874 1.00 0.00 C ATOM 1244 C TYR B 15 -11.922 7.218 5.491 1.00 0.00 C ATOM 1245 O TYR B 15 -11.726 8.247 6.106 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.184 5.041 6.682 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.413 3.979 7.427 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -11.058 2.780 6.779 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -11.048 4.188 8.770 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.338 1.791 7.476 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.328 3.199 9.467 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.973 2.000 8.819 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.268 1.030 9.501 1.00 0.00 O ATOM 0 H TYR B 15 -10.040 7.107 7.205 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.910 5.390 4.971 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.745 5.656 7.385 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.910 4.576 6.016 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.338 2.619 5.748 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.320 5.108 9.266 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -10.066 0.871 6.980 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -10.048 3.360 10.498 1.00 0.00 H new ATOM 0 HH TYR B 15 -9.096 1.334 10.417 1.00 0.00 H new ATOM 1263 N THR B 16 -12.754 7.175 4.486 1.00 0.00 N ATOM 1264 CA THR B 16 -13.480 8.410 4.081 1.00 0.00 C ATOM 1265 C THR B 16 -14.318 8.894 5.267 1.00 0.00 C ATOM 1266 O THR B 16 -14.083 8.509 6.394 1.00 0.00 O ATOM 1267 CB THR B 16 -14.373 8.112 2.868 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.172 9.248 2.572 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.278 6.915 3.162 1.00 0.00 C ATOM 0 H THR B 16 -12.961 6.344 3.932 1.00 0.00 H new ATOM 0 HA THR B 16 -12.773 9.190 3.798 1.00 0.00 H new ATOM 0 HB THR B 16 -13.739 7.878 2.012 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.740 9.056 1.797 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.907 6.713 2.295 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.665 6.040 3.378 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.908 7.138 4.023 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.288 9.736 5.033 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.133 10.241 6.157 1.00 0.00 C ATOM 1279 C ALA B 17 -17.570 10.406 5.666 1.00 0.00 C ATOM 1280 O ALA B 17 -18.391 11.030 6.307 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.595 11.593 6.627 1.00 0.00 C ATOM 0 H ALA B 17 -15.533 10.097 4.111 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.108 9.534 6.986 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.210 11.964 7.447 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.566 11.477 6.968 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.625 12.304 5.801 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.876 9.844 4.526 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.258 9.953 3.970 1.00 0.00 C ATOM 1289 C ARG B 18 -19.647 8.616 3.337 1.00 0.00 C ATOM 1290 O ARG B 18 -18.929 8.077 2.519 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.293 11.041 2.891 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.040 12.423 3.513 1.00 0.00 C ATOM 1293 CD ARG B 18 -20.211 12.831 4.421 1.00 0.00 C ATOM 1294 NE ARG B 18 -20.267 14.317 4.508 1.00 0.00 N ATOM 1295 CZ ARG B 18 -21.336 14.905 4.972 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -22.358 14.190 5.357 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -21.383 16.206 5.051 1.00 0.00 N ATOM 0 H ARG B 18 -17.223 9.310 3.952 1.00 0.00 H new ATOM 0 HA ARG B 18 -19.953 10.208 4.770 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.539 10.833 2.132 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.261 11.033 2.389 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -18.115 12.404 4.090 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -18.909 13.164 2.724 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -21.148 12.442 4.023 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -20.084 12.401 5.414 1.00 0.00 H new ATOM 0 HE ARG B 18 -19.469 14.876 4.205 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -22.321 13.173 5.295 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -23.194 14.649 5.720 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -20.584 16.764 4.750 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -22.219 16.665 5.414 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.781 8.081 3.696 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.208 6.787 3.097 1.00 0.00 C ATOM 1313 C LYS B 19 -21.389 6.994 1.591 1.00 0.00 C ATOM 1314 O LYS B 19 -22.080 7.893 1.157 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.532 6.339 3.747 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.100 5.086 3.051 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.557 4.867 3.477 1.00 0.00 C ATOM 1318 CE LYS B 19 -24.682 4.929 5.001 1.00 0.00 C ATOM 1319 NZ LYS B 19 -24.709 6.353 5.442 1.00 0.00 N ATOM 0 H LYS B 19 -21.428 8.482 4.375 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.460 6.013 3.270 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.368 6.128 4.804 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.259 7.149 3.693 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.042 5.203 1.969 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.501 4.213 3.310 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -25.194 5.626 3.022 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -24.907 3.900 3.116 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.591 4.421 5.323 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -23.844 4.409 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -23.781 6.613 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -24.926 6.964 4.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.439 6.476 6.172 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.769 6.169 0.793 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.906 6.320 -0.680 1.00 0.00 C ATOM 1335 C LEU B 20 -22.314 5.856 -1.114 1.00 0.00 C ATOM 1336 O LEU B 20 -22.656 4.715 -0.870 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.873 5.429 -1.376 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.493 5.609 -0.742 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.454 4.896 -1.606 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.142 7.099 -0.656 1.00 0.00 C ATOM 0 H LEU B 20 -20.175 5.398 1.098 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.752 7.365 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.178 4.385 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.827 5.676 -2.437 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.500 5.187 0.263 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.466 5.018 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.696 3.835 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.458 5.325 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.157 7.215 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.134 7.529 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.885 7.613 -0.046 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.104 6.705 -1.754 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.446 6.285 -2.198 1.00 0.00 C ATOM 1354 C PRO B 21 -24.329 5.035 -3.071 1.00 0.00 C ATOM 1355 O PRO B 21 -23.386 4.882 -3.820 1.00 0.00 O ATOM 1356 CB PRO B 21 -24.991 7.479 -3.013 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.003 8.663 -2.813 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.760 8.109 -2.085 1.00 0.00 C ATOM 0 HA PRO B 21 -25.106 6.035 -1.368 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.071 7.219 -4.069 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -25.991 7.751 -2.675 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.724 9.096 -3.773 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.468 9.457 -2.228 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -21.875 8.160 -2.720 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.540 8.684 -1.186 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.281 4.148 -2.998 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.217 2.929 -3.851 1.00 0.00 C ATOM 1368 C ARG B 22 -24.954 3.367 -5.293 1.00 0.00 C ATOM 1369 O ARG B 22 -24.273 2.698 -6.046 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.554 2.173 -3.764 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.447 0.777 -4.432 1.00 0.00 C ATOM 1372 CD ARG B 22 -26.909 0.839 -5.896 1.00 0.00 C ATOM 1373 NE ARG B 22 -26.942 -0.539 -6.460 1.00 0.00 N ATOM 1374 CZ ARG B 22 -27.578 -0.774 -7.574 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -28.187 0.200 -8.196 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -27.607 -1.982 -8.069 1.00 0.00 N ATOM 0 H ARG B 22 -26.096 4.213 -2.388 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.419 2.268 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.844 2.059 -2.720 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.337 2.754 -4.251 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -25.417 0.424 -4.385 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -27.056 0.058 -3.883 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -27.898 1.294 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -26.232 1.466 -6.477 1.00 0.00 H new ATOM 0 HE ARG B 22 -26.467 -1.300 -5.974 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -28.165 1.144 -7.810 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -28.684 0.016 -9.067 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -27.132 -2.743 -7.584 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -28.105 -2.164 -8.940 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.487 4.498 -5.674 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.273 5.003 -7.059 1.00 0.00 C ATOM 1392 C ASN B 23 -23.839 5.516 -7.200 1.00 0.00 C ATOM 1393 O ASN B 23 -23.521 6.249 -8.115 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.253 6.143 -7.342 1.00 0.00 C ATOM 1395 CG ASN B 23 -27.667 5.709 -6.953 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -28.605 6.470 -7.075 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -27.858 4.507 -6.484 1.00 0.00 N ATOM 0 H ASN B 23 -26.064 5.095 -5.081 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.440 4.194 -7.771 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -25.966 7.031 -6.779 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.221 6.411 -8.398 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -28.796 4.206 -6.219 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -27.069 3.868 -6.382 1.00 0.00 H new ATOM 1404 N PHE B 24 -22.971 5.146 -6.292 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.553 5.622 -6.362 1.00 0.00 C ATOM 1406 C PHE B 24 -20.622 4.469 -5.970 1.00 0.00 C ATOM 1407 O PHE B 24 -19.534 4.675 -5.471 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.376 6.800 -5.386 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.185 7.647 -5.782 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.164 8.292 -7.037 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.100 7.805 -4.895 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.063 9.087 -7.401 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -17.998 8.601 -5.262 1.00 0.00 C ATOM 1414 CZ PHE B 24 -17.979 9.242 -6.515 1.00 0.00 C ATOM 0 H PHE B 24 -23.182 4.534 -5.504 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.311 5.951 -7.372 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.278 7.412 -5.379 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.239 6.422 -4.373 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -20.994 8.175 -7.718 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.114 7.315 -3.933 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.048 9.580 -8.362 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.167 8.720 -4.582 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.134 9.852 -6.797 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.050 3.255 -6.203 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.208 2.070 -5.858 1.00 0.00 C ATOM 1426 C VAL B 25 -20.520 0.944 -6.845 1.00 0.00 C ATOM 1427 O VAL B 25 -21.382 0.122 -6.610 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.533 1.603 -4.437 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.591 0.463 -4.045 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.352 2.763 -3.458 1.00 0.00 C ATOM 0 H VAL B 25 -21.954 3.032 -6.621 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.153 2.337 -5.914 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.565 1.255 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.823 0.131 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.718 -0.369 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.560 0.813 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.584 2.426 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.320 3.113 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.022 3.578 -3.732 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.832 0.906 -7.953 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.094 -0.158 -8.961 1.00 0.00 C ATOM 1442 C VAL B 26 -19.325 -1.421 -8.586 1.00 0.00 C ATOM 1443 O VAL B 26 -19.544 -2.479 -9.140 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.634 0.327 -10.334 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.582 1.419 -10.830 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.217 0.895 -10.225 1.00 0.00 C ATOM 0 H VAL B 26 -19.098 1.568 -8.204 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.161 -0.380 -8.987 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.639 -0.507 -11.036 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.255 1.767 -11.810 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.592 1.017 -10.906 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.575 2.253 -10.128 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.888 1.242 -11.205 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.213 1.730 -9.524 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.540 0.119 -9.868 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.423 -1.323 -7.653 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.646 -2.526 -7.255 1.00 0.00 C ATOM 1458 C ASP B 27 -16.845 -2.214 -5.998 1.00 0.00 C ATOM 1459 O ASP B 27 -16.992 -1.166 -5.402 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.689 -2.910 -8.387 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.138 -4.315 -8.136 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.915 -5.174 -7.752 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.950 -4.508 -8.332 1.00 0.00 O ATOM 0 H ASP B 27 -18.191 -0.466 -7.151 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.327 -3.354 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.210 -2.878 -9.344 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.871 -2.192 -8.445 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.995 -3.110 -5.591 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.184 -2.857 -4.373 1.00 0.00 C ATOM 1470 C TYR B 28 -13.912 -3.696 -4.414 1.00 0.00 C ATOM 1471 O TYR B 28 -13.623 -4.375 -5.379 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.998 -3.192 -3.116 1.00 0.00 C ATOM 1473 CG TYR B 28 -16.124 -4.693 -2.941 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.802 -5.465 -3.906 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.574 -5.319 -1.803 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.927 -6.856 -3.734 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.700 -6.708 -1.629 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.376 -7.479 -2.596 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.500 -8.842 -2.427 1.00 0.00 O ATOM 0 H TYR B 28 -15.827 -4.006 -6.049 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.912 -1.802 -4.342 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.517 -2.758 -2.239 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.990 -2.745 -3.189 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.226 -4.989 -4.778 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -15.054 -4.729 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.446 -7.447 -4.475 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.279 -7.184 -0.755 1.00 0.00 H new ATOM 0 HH TYR B 28 -16.063 -9.109 -1.591 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.149 -3.633 -3.370 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.880 -4.396 -3.314 1.00 0.00 C ATOM 1491 C TYR B 29 -11.445 -4.486 -1.848 1.00 0.00 C ATOM 1492 O TYR B 29 -11.635 -3.561 -1.091 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.833 -3.647 -4.158 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.434 -4.067 -3.772 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.982 -5.361 -4.080 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.586 -3.162 -3.105 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.679 -5.756 -3.719 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.283 -3.555 -2.744 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.829 -4.853 -3.051 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.553 -5.240 -2.697 1.00 0.00 O ATOM 0 H TYR B 29 -13.352 -3.077 -2.539 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.995 -5.405 -3.711 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -11.000 -3.849 -5.216 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.947 -2.572 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.633 -6.053 -4.593 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.935 -2.167 -2.871 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.332 -6.751 -3.954 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.632 -2.862 -2.232 1.00 0.00 H new ATOM 0 HH TYR B 29 -5.100 -4.498 -2.245 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.868 -5.582 -1.435 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.427 -5.703 -0.008 1.00 0.00 C ATOM 1512 C GLU B 30 -8.927 -5.404 0.080 1.00 0.00 C ATOM 1513 O GLU B 30 -8.200 -5.537 -0.884 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.697 -7.120 0.493 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.201 -7.400 0.452 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.641 -7.614 -0.998 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -12.546 -8.737 -1.465 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.065 -6.652 -1.614 1.00 0.00 O ATOM 0 H GLU B 30 -10.682 -6.398 -2.018 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.979 -4.994 0.608 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.165 -7.843 -0.125 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.323 -7.235 1.510 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.434 -8.283 1.048 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.749 -6.566 0.890 1.00 0.00 H new ATOM 1525 N THR B 31 -8.463 -4.990 1.226 1.00 0.00 N ATOM 1526 CA THR B 31 -7.011 -4.669 1.376 1.00 0.00 C ATOM 1527 C THR B 31 -6.185 -5.955 1.392 1.00 0.00 C ATOM 1528 O THR B 31 -6.661 -7.021 1.056 1.00 0.00 O ATOM 1529 CB THR B 31 -6.798 -3.923 2.694 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.506 -4.593 3.718 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.312 -2.488 2.555 1.00 0.00 C ATOM 0 H THR B 31 -9.025 -4.859 2.067 1.00 0.00 H new ATOM 0 HA THR B 31 -6.694 -4.051 0.536 1.00 0.00 H new ATOM 0 HB THR B 31 -5.737 -3.897 2.942 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.582 -5.544 3.495 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.161 -1.955 3.494 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.767 -1.982 1.758 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.375 -2.504 2.314 1.00 0.00 H new ATOM 1539 N SER B 32 -4.944 -5.853 1.783 1.00 0.00 N ATOM 1540 CA SER B 32 -4.067 -7.054 1.831 1.00 0.00 C ATOM 1541 C SER B 32 -4.300 -7.806 3.141 1.00 0.00 C ATOM 1542 O SER B 32 -5.387 -7.817 3.682 1.00 0.00 O ATOM 1543 CB SER B 32 -2.606 -6.612 1.755 1.00 0.00 C ATOM 1544 OG SER B 32 -2.420 -5.804 0.601 1.00 0.00 O ATOM 0 H SER B 32 -4.498 -4.982 2.073 1.00 0.00 H new ATOM 0 HA SER B 32 -4.299 -7.709 0.991 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.336 -6.054 2.651 1.00 0.00 H new ATOM 0 HB3 SER B 32 -1.952 -7.483 1.713 1.00 0.00 H new ATOM 0 HG SER B 32 -1.754 -6.220 0.014 1.00 0.00 H new ATOM 1550 N SER B 33 -3.278 -8.436 3.651 1.00 0.00 N ATOM 1551 CA SER B 33 -3.409 -9.198 4.930 1.00 0.00 C ATOM 1552 C SER B 33 -2.148 -8.980 5.760 1.00 0.00 C ATOM 1553 O SER B 33 -2.193 -8.898 6.971 1.00 0.00 O ATOM 1554 CB SER B 33 -3.542 -10.684 4.613 1.00 0.00 C ATOM 1555 OG SER B 33 -2.253 -11.229 4.369 1.00 0.00 O ATOM 0 H SER B 33 -2.348 -8.457 3.234 1.00 0.00 H new ATOM 0 HA SER B 33 -4.286 -8.857 5.481 1.00 0.00 H new ATOM 0 HB2 SER B 33 -4.018 -11.204 5.445 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.181 -10.826 3.741 1.00 0.00 H new ATOM 0 HG SER B 33 -2.335 -12.184 4.167 1.00 0.00 H new ATOM 1561 N LEU B 34 -1.025 -8.894 5.100 1.00 0.00 N ATOM 1562 CA LEU B 34 0.274 -8.684 5.806 1.00 0.00 C ATOM 1563 C LEU B 34 0.098 -7.693 6.958 1.00 0.00 C ATOM 1564 O LEU B 34 0.392 -7.988 8.099 1.00 0.00 O ATOM 1565 CB LEU B 34 1.302 -8.123 4.821 1.00 0.00 C ATOM 1566 CG LEU B 34 1.203 -8.853 3.480 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.358 -8.412 2.576 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.277 -10.366 3.711 1.00 0.00 C ATOM 0 H LEU B 34 -0.951 -8.961 4.085 1.00 0.00 H new ATOM 0 HA LEU B 34 0.616 -9.639 6.203 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.133 -7.056 4.676 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.306 -8.233 5.230 1.00 0.00 H new ATOM 0 HG LEU B 34 0.254 -8.610 3.002 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.290 -8.931 1.620 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.300 -7.336 2.410 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.307 -8.655 3.054 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.206 -10.884 2.755 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.224 -10.615 4.189 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.453 -10.677 4.354 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.377 -6.518 6.660 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.568 -5.505 7.732 1.00 0.00 C ATOM 1582 C CYS B 35 -1.722 -5.945 8.641 1.00 0.00 C ATOM 1583 O CYS B 35 -2.784 -6.306 8.183 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.880 -4.143 7.100 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.979 -4.362 5.679 1.00 0.00 S ATOM 0 H CYS B 35 -0.641 -6.216 5.722 1.00 0.00 H new ATOM 0 HA CYS B 35 0.342 -5.417 8.326 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.348 -3.489 7.836 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.044 -3.658 6.785 1.00 0.00 H new ATOM 1590 N SER B 36 -1.504 -5.945 9.925 1.00 0.00 N ATOM 1591 CA SER B 36 -2.570 -6.376 10.877 1.00 0.00 C ATOM 1592 C SER B 36 -3.760 -5.402 10.866 1.00 0.00 C ATOM 1593 O SER B 36 -4.405 -5.213 11.878 1.00 0.00 O ATOM 1594 CB SER B 36 -1.985 -6.440 12.288 1.00 0.00 C ATOM 1595 OG SER B 36 -1.351 -5.204 12.589 1.00 0.00 O ATOM 0 H SER B 36 -0.626 -5.663 10.362 1.00 0.00 H new ATOM 0 HA SER B 36 -2.930 -7.357 10.567 1.00 0.00 H new ATOM 0 HB2 SER B 36 -2.774 -6.643 13.012 1.00 0.00 H new ATOM 0 HB3 SER B 36 -1.267 -7.257 12.360 1.00 0.00 H new ATOM 0 HG SER B 36 -0.976 -5.240 13.494 1.00 0.00 H new ATOM 1601 N GLN B 37 -4.069 -4.775 9.757 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.227 -3.826 9.758 1.00 0.00 C ATOM 1603 C GLN B 37 -5.838 -3.697 8.352 1.00 0.00 C ATOM 1604 O GLN B 37 -5.795 -2.634 7.770 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.746 -2.448 10.225 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.447 -2.084 9.501 1.00 0.00 C ATOM 1607 CD GLN B 37 -3.067 -0.640 9.832 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -2.419 -0.382 10.826 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -3.446 0.320 9.032 1.00 0.00 N ATOM 0 H GLN B 37 -3.581 -4.875 8.867 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.991 -4.212 10.433 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.510 -1.697 10.022 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.584 -2.454 11.303 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.648 -2.760 9.804 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.573 -2.201 8.425 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -3.990 0.103 8.197 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -3.198 1.287 9.242 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.415 -4.770 7.853 1.00 0.00 N ATOM 1619 CA PRO B 38 -7.060 -4.750 6.524 1.00 0.00 C ATOM 1620 C PRO B 38 -8.316 -3.866 6.587 1.00 0.00 C ATOM 1621 O PRO B 38 -8.633 -3.286 7.607 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.429 -6.226 6.244 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.151 -7.031 7.548 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.469 -6.073 8.550 1.00 0.00 C ATOM 0 HA PRO B 38 -6.421 -4.345 5.740 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.477 -6.312 5.956 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.838 -6.619 5.417 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.080 -7.421 7.963 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.510 -7.888 7.340 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -7.037 -6.002 9.478 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.471 -6.422 8.813 1.00 0.00 H new ATOM 1632 N ALA B 39 -9.025 -3.770 5.504 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.259 -2.946 5.469 1.00 0.00 C ATOM 1634 C ALA B 39 -10.953 -3.197 4.136 1.00 0.00 C ATOM 1635 O ALA B 39 -10.406 -3.842 3.263 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.895 -1.464 5.584 1.00 0.00 C ATOM 0 H ALA B 39 -8.798 -4.236 4.625 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.915 -3.211 6.298 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.804 -0.863 5.558 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.372 -1.290 6.524 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.250 -1.182 4.752 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.133 -2.672 3.949 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.835 -2.865 2.645 1.00 0.00 C ATOM 1644 C VAL B 40 -12.608 -1.607 1.811 1.00 0.00 C ATOM 1645 O VAL B 40 -12.545 -0.510 2.329 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.335 -3.079 2.882 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.101 -2.887 1.569 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.565 -4.505 3.386 1.00 0.00 C ATOM 0 H VAL B 40 -12.641 -2.119 4.639 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.448 -3.742 2.126 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.689 -2.358 3.619 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.166 -3.040 1.743 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.936 -1.876 1.196 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.747 -3.608 0.832 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.630 -4.663 3.556 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.207 -5.216 2.642 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -14.022 -4.653 4.320 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.466 -1.768 0.524 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.217 -0.598 -0.378 1.00 0.00 C ATOM 1660 C VAL B 41 -13.334 -0.513 -1.424 1.00 0.00 C ATOM 1661 O VAL B 41 -13.513 -1.404 -2.223 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.860 -0.797 -1.064 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.335 0.533 -1.599 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.858 -1.350 -0.044 1.00 0.00 C ATOM 0 H VAL B 41 -12.512 -2.670 0.050 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.206 0.330 0.194 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.983 -1.494 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.371 0.375 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.042 0.939 -2.322 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.216 1.236 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.891 -1.494 -0.525 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.752 -0.645 0.781 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.218 -2.305 0.339 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.097 0.550 -1.424 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.211 0.668 -2.417 1.00 0.00 C ATOM 1676 C PHE B 42 -14.721 1.354 -3.694 1.00 0.00 C ATOM 1677 O PHE B 42 -14.020 2.346 -3.655 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.349 1.503 -1.817 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.108 0.688 -0.793 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.822 -0.460 -1.193 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.110 1.079 0.560 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.534 -1.213 -0.241 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.823 0.326 1.511 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.535 -0.821 1.110 1.00 0.00 C ATOM 0 H PHE B 42 -13.999 1.338 -0.784 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.565 -0.334 -2.658 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.944 2.401 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.025 1.830 -2.606 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.823 -0.762 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.563 1.958 0.868 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.080 -2.093 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.824 0.628 2.548 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.082 -1.400 1.840 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.119 0.842 -4.830 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.726 1.457 -6.132 1.00 0.00 C ATOM 1696 C GLN B 43 -15.914 2.294 -6.616 1.00 0.00 C ATOM 1697 O GLN B 43 -17.011 1.781 -6.764 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.413 0.344 -7.133 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.171 -0.423 -6.670 1.00 0.00 C ATOM 1700 CD GLN B 43 -12.986 -1.669 -7.539 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -13.554 -2.707 -7.262 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -12.211 -1.610 -8.586 1.00 0.00 N ATOM 0 H GLN B 43 -15.707 0.013 -4.911 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.842 2.086 -6.028 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.262 -0.334 -7.217 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.244 0.767 -8.123 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.290 0.215 -6.739 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.277 -0.709 -5.624 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -11.734 -0.739 -8.819 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.082 -2.435 -9.172 1.00 0.00 H new ATOM 1711 N THR B 44 -15.734 3.585 -6.821 1.00 0.00 N ATOM 1712 CA THR B 44 -16.904 4.438 -7.236 1.00 0.00 C ATOM 1713 C THR B 44 -16.934 4.673 -8.746 1.00 0.00 C ATOM 1714 O THR B 44 -16.309 3.973 -9.519 1.00 0.00 O ATOM 1715 CB THR B 44 -16.814 5.794 -6.540 1.00 0.00 C ATOM 1716 OG1 THR B 44 -15.924 6.629 -7.263 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.292 5.604 -5.113 1.00 0.00 C ATOM 0 H THR B 44 -14.846 4.077 -6.721 1.00 0.00 H new ATOM 0 HA THR B 44 -17.813 3.908 -6.950 1.00 0.00 H new ATOM 0 HB THR B 44 -17.802 6.254 -6.503 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.201 7.564 -7.166 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.228 6.572 -4.617 1.00 0.00 H new ATOM 0 HG22 THR B 44 -16.973 4.957 -4.560 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.303 5.147 -5.145 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.681 5.671 -9.158 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.807 6.002 -10.610 1.00 0.00 C ATOM 1727 C LYS B 45 -17.037 7.293 -10.914 1.00 0.00 C ATOM 1728 O LYS B 45 -16.706 7.565 -12.051 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.288 6.224 -10.956 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.153 5.132 -10.321 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.628 5.423 -10.624 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.496 4.239 -10.188 1.00 0.00 C ATOM 1733 NZ LYS B 45 -23.907 4.690 -10.032 1.00 0.00 N ATOM 0 H LYS B 45 -18.216 6.278 -8.537 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.401 5.180 -11.199 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.608 7.203 -10.601 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.420 6.219 -12.038 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.874 4.155 -10.714 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -19.989 5.101 -9.244 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -21.943 6.327 -10.103 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.759 5.608 -11.690 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.438 3.440 -10.927 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -22.127 3.831 -9.247 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -24.463 3.939 -9.577 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -23.935 5.547 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -24.310 4.900 -10.968 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.763 8.097 -9.911 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.027 9.383 -10.144 1.00 0.00 C ATOM 1749 C ARG B 46 -14.895 9.498 -9.119 1.00 0.00 C ATOM 1750 O ARG B 46 -14.754 10.482 -8.427 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.008 10.564 -9.991 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.496 11.822 -10.734 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.437 12.572 -9.909 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.420 14.015 -10.314 1.00 0.00 N ATOM 1755 CZ ARG B 46 -15.292 14.373 -11.565 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -14.973 13.497 -12.477 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -15.424 15.628 -11.894 1.00 0.00 N ATOM 0 H ARG B 46 -17.018 7.917 -8.940 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.606 9.401 -11.149 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -17.985 10.281 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.142 10.793 -8.934 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.071 11.531 -11.695 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.333 12.488 -10.944 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.659 12.484 -8.846 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.455 12.127 -10.067 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.510 14.735 -9.597 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -14.821 12.522 -12.217 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -14.876 13.786 -13.450 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -15.626 16.325 -11.177 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -15.325 15.913 -12.868 1.00 0.00 H new ATOM 1771 N SER B 47 -14.080 8.489 -9.027 1.00 0.00 N ATOM 1772 CA SER B 47 -12.947 8.523 -8.077 1.00 0.00 C ATOM 1773 C SER B 47 -12.031 7.352 -8.406 1.00 0.00 C ATOM 1774 O SER B 47 -11.550 7.220 -9.515 1.00 0.00 O ATOM 1775 CB SER B 47 -13.453 8.423 -6.630 1.00 0.00 C ATOM 1776 OG SER B 47 -13.865 7.094 -6.356 1.00 0.00 O ATOM 0 H SER B 47 -14.154 7.634 -9.578 1.00 0.00 H new ATOM 0 HA SER B 47 -12.405 9.464 -8.169 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.665 8.719 -5.938 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.285 9.110 -6.478 1.00 0.00 H new ATOM 0 HG SER B 47 -14.752 6.940 -6.744 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.807 6.495 -7.469 1.00 0.00 N ATOM 1783 CA LYS B 48 -10.944 5.315 -7.716 1.00 0.00 C ATOM 1784 C LYS B 48 -11.277 4.275 -6.660 1.00 0.00 C ATOM 1785 O LYS B 48 -12.214 3.511 -6.789 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.466 5.708 -7.592 1.00 0.00 C ATOM 1787 CG LYS B 48 -9.046 6.584 -8.778 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.519 6.621 -8.874 1.00 0.00 C ATOM 1789 CE LYS B 48 -7.104 7.423 -10.107 1.00 0.00 C ATOM 1790 NZ LYS B 48 -5.662 7.181 -10.397 1.00 0.00 N ATOM 0 H LYS B 48 -12.189 6.558 -6.525 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.116 4.924 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.303 6.246 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.846 4.812 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.469 6.190 -9.702 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.437 7.594 -8.654 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.099 7.072 -7.975 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.123 5.607 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -7.712 7.133 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.278 8.486 -9.938 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -5.380 7.727 -11.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -5.089 7.479 -9.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -5.509 6.168 -10.576 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.512 4.268 -5.602 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.737 3.312 -4.484 1.00 0.00 C ATOM 1806 C GLN B 49 -10.951 4.123 -3.197 1.00 0.00 C ATOM 1807 O GLN B 49 -10.332 5.153 -2.992 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.483 2.424 -4.352 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.686 1.101 -5.103 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.441 0.225 -4.943 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -8.326 -0.809 -5.569 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -7.497 0.599 -4.122 1.00 0.00 N ATOM 0 H GLN B 49 -9.723 4.900 -5.465 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.609 2.684 -4.666 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.615 2.948 -4.752 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.279 2.225 -3.300 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.562 0.581 -4.714 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -9.873 1.295 -6.159 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -7.593 1.468 -3.596 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -6.663 0.023 -4.007 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.826 3.673 -2.330 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.083 4.414 -1.053 1.00 0.00 C ATOM 1823 C VAL B 50 -12.075 3.423 0.103 1.00 0.00 C ATOM 1824 O VAL B 50 -12.846 2.490 0.134 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.451 5.118 -1.120 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.495 6.257 -0.091 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.672 5.671 -2.538 1.00 0.00 C ATOM 0 H VAL B 50 -12.375 2.822 -2.452 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.307 5.165 -0.904 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.243 4.405 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.464 6.754 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.346 5.850 0.909 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.706 6.977 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.640 6.170 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.884 6.385 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.649 4.851 -3.256 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.213 3.628 1.052 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.146 2.698 2.209 1.00 0.00 C ATOM 1839 C CYS B 51 -12.367 2.915 3.097 1.00 0.00 C ATOM 1840 O CYS B 51 -12.878 4.012 3.212 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.874 2.981 3.009 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.424 2.542 2.016 1.00 0.00 S ATOM 0 H CYS B 51 -10.549 4.402 1.078 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.131 1.667 1.856 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.833 4.034 3.286 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.880 2.408 3.936 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.846 1.871 3.720 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.047 1.996 4.600 1.00 0.00 C ATOM 1849 C ALA B 52 -13.850 1.125 5.843 1.00 0.00 C ATOM 1850 O ALA B 52 -13.477 -0.029 5.752 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.283 1.518 3.837 1.00 0.00 C ATOM 0 H ALA B 52 -12.455 0.931 3.657 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.181 3.036 4.897 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.162 1.607 4.475 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.419 2.129 2.945 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.151 0.476 3.546 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.091 1.671 7.004 1.00 0.00 N ATOM 1858 CA ASP B 53 -13.911 0.876 8.250 1.00 0.00 C ATOM 1859 C ASP B 53 -14.983 -0.244 8.303 1.00 0.00 C ATOM 1860 O ASP B 53 -16.157 0.065 8.305 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.088 1.801 9.460 1.00 0.00 C ATOM 1862 CG ASP B 53 -15.534 2.293 9.527 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -16.348 1.592 10.105 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -15.803 3.359 9.000 1.00 0.00 O ATOM 0 H ASP B 53 -14.404 2.632 7.142 1.00 0.00 H new ATOM 0 HA ASP B 53 -12.916 0.431 8.265 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -13.832 1.269 10.377 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -13.408 2.650 9.383 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.588 -1.512 8.344 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.579 -2.609 8.395 1.00 0.00 C ATOM 1871 C PRO B 54 -16.451 -2.480 9.656 1.00 0.00 C ATOM 1872 O PRO B 54 -17.364 -3.251 9.874 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.742 -3.908 8.440 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.241 -3.505 8.390 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.174 -1.962 8.340 1.00 0.00 C ATOM 0 HA PRO B 54 -16.255 -2.593 7.540 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.957 -4.470 9.349 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.993 -4.554 7.599 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.713 -3.883 9.266 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.757 -3.938 7.515 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.631 -1.563 9.197 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.654 -1.619 7.446 1.00 0.00 H new ATOM 1883 N SER B 55 -16.160 -1.525 10.491 1.00 0.00 N ATOM 1884 CA SER B 55 -16.951 -1.362 11.746 1.00 0.00 C ATOM 1885 C SER B 55 -18.309 -0.723 11.443 1.00 0.00 C ATOM 1886 O SER B 55 -19.250 -0.870 12.197 1.00 0.00 O ATOM 1887 CB SER B 55 -16.177 -0.471 12.718 1.00 0.00 C ATOM 1888 OG SER B 55 -16.763 -0.567 14.010 1.00 0.00 O ATOM 0 H SER B 55 -15.408 -0.848 10.361 1.00 0.00 H new ATOM 0 HA SER B 55 -17.116 -2.344 12.190 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.132 -0.777 12.756 1.00 0.00 H new ATOM 0 HB3 SER B 55 -16.194 0.563 12.374 1.00 0.00 H new ATOM 0 HG SER B 55 -16.269 0.002 14.637 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.428 -0.016 10.352 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.739 0.620 10.022 1.00 0.00 C ATOM 1896 C GLU B 56 -20.664 -0.421 9.383 1.00 0.00 C ATOM 1897 O GLU B 56 -20.369 -0.994 8.353 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.515 1.788 9.057 1.00 0.00 C ATOM 1899 CG GLU B 56 -19.055 3.029 9.833 1.00 0.00 C ATOM 1900 CD GLU B 56 -20.259 3.689 10.512 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -21.202 4.017 9.811 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -20.216 3.852 11.720 1.00 0.00 O ATOM 0 H GLU B 56 -17.681 0.149 9.678 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.202 0.998 10.933 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.767 1.517 8.312 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.437 2.007 8.518 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -18.313 2.748 10.580 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.574 3.736 9.156 1.00 0.00 H new ATOM 1909 N SER B 57 -21.777 -0.672 10.009 1.00 0.00 N ATOM 1910 CA SER B 57 -22.743 -1.678 9.487 1.00 0.00 C ATOM 1911 C SER B 57 -23.057 -1.437 8.006 1.00 0.00 C ATOM 1912 O SER B 57 -23.205 -2.372 7.245 1.00 0.00 O ATOM 1913 CB SER B 57 -24.038 -1.596 10.295 1.00 0.00 C ATOM 1914 OG SER B 57 -23.803 -2.084 11.609 1.00 0.00 O ATOM 0 H SER B 57 -22.064 -0.216 10.875 1.00 0.00 H new ATOM 0 HA SER B 57 -22.293 -2.666 9.584 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.391 -0.565 10.335 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.820 -2.182 9.811 1.00 0.00 H new ATOM 0 HG SER B 57 -24.631 -2.031 12.131 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.186 -0.207 7.586 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.517 0.033 6.153 1.00 0.00 C ATOM 1922 C TRP B 58 -22.415 -0.542 5.272 1.00 0.00 C ATOM 1923 O TRP B 58 -22.661 -1.000 4.178 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.732 1.531 5.882 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.436 2.275 5.787 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.959 3.113 6.738 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.468 2.305 4.694 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.762 3.652 6.304 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.410 3.183 5.057 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.398 1.661 3.436 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.322 3.414 4.205 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.304 1.893 2.575 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.268 2.767 2.961 1.00 0.00 C ATOM 0 H TRP B 58 -23.079 0.628 8.162 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.452 -0.473 5.913 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.290 1.655 4.954 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.339 1.960 6.679 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.437 3.326 7.683 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.206 4.317 6.842 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.186 0.988 3.133 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.530 4.085 4.504 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.261 1.398 1.616 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.432 2.939 2.299 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.204 -0.556 5.745 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.112 -1.131 4.922 1.00 0.00 C ATOM 1946 C VAL B 59 -20.382 -2.617 4.737 1.00 0.00 C ATOM 1947 O VAL B 59 -20.308 -3.143 3.646 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.779 -0.926 5.637 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.647 -1.567 4.828 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.531 0.575 5.778 1.00 0.00 C ATOM 0 H VAL B 59 -20.925 -0.197 6.658 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.068 -0.641 3.950 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.809 -1.394 6.621 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.699 -1.416 5.345 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.836 -2.635 4.721 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.599 -1.106 3.841 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.582 0.741 6.287 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.497 1.033 4.789 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.337 1.024 6.358 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.718 -3.297 5.793 1.00 0.00 N ATOM 1961 CA GLN B 60 -21.017 -4.750 5.667 1.00 0.00 C ATOM 1962 C GLN B 60 -22.272 -4.932 4.808 1.00 0.00 C ATOM 1963 O GLN B 60 -22.375 -5.858 4.028 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.255 -5.347 7.056 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.314 -6.872 6.952 1.00 0.00 C ATOM 1966 CD GLN B 60 -19.922 -7.416 6.630 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -19.613 -7.690 5.486 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -19.061 -7.587 7.595 1.00 0.00 N ATOM 0 H GLN B 60 -20.799 -2.914 6.735 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.175 -5.258 5.198 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.455 -5.049 7.734 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.186 -4.964 7.474 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -21.674 -7.297 7.889 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -22.020 -7.167 6.176 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -19.319 -7.358 8.555 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -18.130 -7.950 7.390 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.229 -4.055 4.951 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.485 -4.169 4.153 1.00 0.00 C ATOM 1979 C GLU B 61 -24.185 -3.961 2.666 1.00 0.00 C ATOM 1980 O GLU B 61 -24.602 -4.732 1.825 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.484 -3.110 4.622 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.855 -3.391 4.003 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.813 -2.248 4.343 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.722 -1.732 5.445 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.624 -1.910 3.497 1.00 0.00 O ATOM 0 H GLU B 61 -23.195 -3.260 5.589 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.908 -5.164 4.296 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.556 -3.119 5.710 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.140 -2.117 4.333 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.763 -3.493 2.922 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.249 -4.335 4.380 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.471 -2.922 2.334 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.151 -2.661 0.900 1.00 0.00 C ATOM 1994 C TYR B 62 -22.337 -3.831 0.337 1.00 0.00 C ATOM 1995 O TYR B 62 -22.489 -4.206 -0.809 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.338 -1.360 0.777 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.255 -0.147 0.787 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.222 0.017 1.803 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.133 0.829 -0.225 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.058 1.150 1.804 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.971 1.959 -0.222 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.933 2.120 0.791 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.753 3.229 0.794 1.00 0.00 O ATOM 0 H TYR B 62 -23.094 -2.241 2.993 1.00 0.00 H new ATOM 0 HA TYR B 62 -24.078 -2.559 0.336 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.627 -1.291 1.600 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.757 -1.375 -0.145 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.320 -0.727 2.580 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.394 0.708 -1.004 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.796 1.275 2.583 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.875 2.704 -0.998 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.535 3.799 0.027 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.484 -4.417 1.131 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.682 -5.562 0.632 1.00 0.00 C ATOM 2015 C VAL B 63 -21.631 -6.713 0.334 1.00 0.00 C ATOM 2016 O VAL B 63 -21.491 -7.417 -0.643 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.673 -5.981 1.704 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -19.019 -7.311 1.315 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.593 -4.902 1.834 1.00 0.00 C ATOM 0 H VAL B 63 -21.310 -4.151 2.100 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.139 -5.284 -0.271 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.190 -6.101 2.656 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.302 -7.602 2.083 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.786 -8.080 1.224 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.503 -7.198 0.361 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.873 -5.198 2.597 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -18.081 -4.782 0.879 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -19.055 -3.957 2.119 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.603 -6.901 1.178 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.573 -7.998 0.959 1.00 0.00 C ATOM 2031 C TYR B 64 -24.322 -7.751 -0.347 1.00 0.00 C ATOM 2032 O TYR B 64 -24.536 -8.647 -1.138 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.568 -8.030 2.124 1.00 0.00 C ATOM 2034 CG TYR B 64 -25.264 -9.372 2.167 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.567 -10.513 2.611 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.610 -9.483 1.765 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -25.215 -11.762 2.652 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -27.257 -10.733 1.805 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.559 -11.873 2.249 1.00 0.00 C ATOM 2040 OH TYR B 64 -27.194 -13.097 2.289 1.00 0.00 O ATOM 0 H TYR B 64 -22.766 -6.338 2.013 1.00 0.00 H new ATOM 0 HA TYR B 64 -23.048 -8.952 0.903 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -24.047 -7.850 3.064 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.302 -7.233 2.009 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.536 -10.429 2.920 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -27.146 -8.609 1.426 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.680 -12.636 2.993 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -28.288 -10.818 1.495 1.00 0.00 H new ATOM 0 HH TYR B 64 -28.118 -12.996 1.978 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.719 -6.534 -0.571 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.461 -6.203 -1.821 1.00 0.00 C ATOM 2052 C ASP B 65 -24.574 -6.494 -3.035 1.00 0.00 C ATOM 2053 O ASP B 65 -25.042 -6.909 -4.076 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.834 -4.718 -1.802 1.00 0.00 C ATOM 2055 CG ASP B 65 -27.058 -4.503 -0.908 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -26.871 -4.276 0.276 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -28.162 -4.571 -1.423 1.00 0.00 O ATOM 0 H ASP B 65 -24.562 -5.748 0.059 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.365 -6.808 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.995 -4.127 -1.434 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -26.046 -4.374 -2.814 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.297 -6.279 -2.905 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.371 -6.540 -4.043 1.00 0.00 C ATOM 2064 C LEU B 66 -22.226 -8.050 -4.246 1.00 0.00 C ATOM 2065 O LEU B 66 -22.018 -8.521 -5.347 1.00 0.00 O ATOM 2066 CB LEU B 66 -21.006 -5.917 -3.719 1.00 0.00 C ATOM 2067 CG LEU B 66 -21.027 -4.402 -4.018 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.925 -3.700 -3.220 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.777 -4.150 -5.513 1.00 0.00 C ATOM 0 H LEU B 66 -22.851 -5.932 -2.056 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.765 -6.099 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.761 -6.085 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.228 -6.401 -4.309 1.00 0.00 H new ATOM 0 HG LEU B 66 -22.005 -4.011 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.945 -2.632 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.090 -3.859 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.955 -4.109 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.795 -3.078 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.804 -4.554 -5.792 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.555 -4.639 -6.099 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.342 -8.812 -3.197 1.00 0.00 N ATOM 2082 CA GLU B 67 -22.221 -10.292 -3.332 1.00 0.00 C ATOM 2083 C GLU B 67 -23.476 -10.836 -4.008 1.00 0.00 C ATOM 2084 O GLU B 67 -23.451 -11.854 -4.670 1.00 0.00 O ATOM 2085 CB GLU B 67 -22.081 -10.922 -1.946 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.706 -10.586 -1.375 1.00 0.00 C ATOM 2087 CD GLU B 67 -20.490 -11.357 -0.072 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -20.988 -12.465 0.028 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -19.828 -10.824 0.805 1.00 0.00 O ATOM 0 H GLU B 67 -22.516 -8.476 -2.250 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.343 -10.534 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.863 -10.550 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -22.206 -12.003 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.929 -10.844 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.629 -9.514 -1.192 1.00 0.00 H new ATOM 2096 N LEU B 68 -24.576 -10.159 -3.846 1.00 0.00 N ATOM 2097 CA LEU B 68 -25.841 -10.627 -4.481 1.00 0.00 C ATOM 2098 C LEU B 68 -25.825 -10.278 -5.970 1.00 0.00 C ATOM 2099 O LEU B 68 -25.316 -11.021 -6.785 1.00 0.00 O ATOM 2100 CB LEU B 68 -27.035 -9.945 -3.817 1.00 0.00 C ATOM 2101 CG LEU B 68 -27.129 -10.370 -2.348 1.00 0.00 C ATOM 2102 CD1 LEU B 68 -28.265 -9.592 -1.690 1.00 0.00 C ATOM 2103 CD2 LEU B 68 -27.409 -11.884 -2.238 1.00 0.00 C ATOM 0 H LEU B 68 -24.656 -9.301 -3.301 1.00 0.00 H new ATOM 0 HA LEU B 68 -25.925 -11.707 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU B 68 -26.930 -8.862 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU B 68 -27.954 -10.210 -4.341 1.00 0.00 H new ATOM 0 HG LEU B 68 -26.183 -10.158 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU B 68 -28.346 -9.883 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU B 68 -28.060 -8.523 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU B 68 -29.202 -9.813 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU B 68 -27.472 -12.167 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU B 68 -28.351 -12.117 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU B 68 -26.601 -12.439 -2.715 1.00 0.00 H new ATOM 2115 N ASN B 69 -26.377 -9.150 -6.332 1.00 0.00 N ATOM 2116 CA ASN B 69 -26.396 -8.748 -7.769 1.00 0.00 C ATOM 2117 C ASN B 69 -25.131 -7.951 -8.091 1.00 0.00 C ATOM 2118 O ASN B 69 -25.007 -6.846 -7.590 1.00 0.00 O ATOM 2119 CB ASN B 69 -27.626 -7.879 -8.037 1.00 0.00 C ATOM 2120 CG ASN B 69 -28.874 -8.581 -7.499 1.00 0.00 C ATOM 2121 OD1 ASN B 69 -29.240 -8.401 -6.354 1.00 0.00 O ATOM 2122 ND2 ASN B 69 -29.548 -9.378 -8.281 1.00 0.00 N ATOM 2123 OXT ASN B 69 -24.307 -8.458 -8.834 1.00 0.00 O ATOM 0 H ASN B 69 -26.817 -8.488 -5.692 1.00 0.00 H new ATOM 0 HA ASN B 69 -26.435 -9.639 -8.396 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -27.508 -6.906 -7.559 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -27.730 -7.698 -9.107 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -30.382 -9.850 -7.932 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -29.241 -9.529 -9.242 1.00 0.00 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.229 1.657 5.659 1.00 0.00 O HETATM 2134 O HOH A 202 4.254 5.636 6.499 1.00 0.00 O HETATM 2137 O HOH B 301 -6.350 -1.519 5.663 1.00 0.00 O HETATM 2140 O HOH B 302 -4.377 -5.483 6.567 1.00 0.00 O