USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot -81:sc= 1.32 USER MOD Set 1.2: A 76 ASN : amide:sc= 0.954 K(o=2.3,f=-2) USER MOD Set 2.1: A 48 LYS NZ :NH3+ -135:sc= -0.0373 (180deg=-0.552) USER MOD Set 2.2: A 73 LYS NZ :NH3+ -154:sc= 0 (180deg=0) USER MOD Set 3.1: A 34 HIS :FLIP no HD1:sc= -1.81 F(o=-3.4,f=-1.5) USER MOD Set 3.2: A 35 THR OG1 : rot 114:sc= 0.338 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 40 SER OG : rot 139:sc= 1.56 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0228) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -61:sc= -0.211 USER MOD Single : A 60 LYS NZ :NH3+ -157:sc=-0.00754 (180deg=-0.185) USER MOD Single : A 61 THR OG1 : rot -73:sc= 1.23 USER MOD Single : A 63 MET CE :methyl -128:sc=-0.00121 (180deg=-0.26) USER MOD Single : A 65 MET CE :methyl 177:sc= -0.0753 (180deg=-0.0936) USER MOD Single : A 69 MET CE :methyl 155:sc= -0.106 (180deg=-0.89) USER MOD Single : A 71 ASN :FLIP amide:sc= -1.01 F(o=-2.4,f=-1) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N CYS A 28 11.396 3.268 0.613 1.00 0.00 N ATOM 42 CA CYS A 28 12.819 3.329 0.923 1.00 0.00 C ATOM 43 C CYS A 28 13.043 3.295 2.432 1.00 0.00 C ATOM 44 O CYS A 28 12.355 3.979 3.188 1.00 0.00 O ATOM 45 CB CYS A 28 13.425 4.609 0.347 1.00 0.00 C ATOM 46 SG CYS A 28 13.217 4.618 -1.452 1.00 0.00 S ATOM 0 HA CYS A 28 13.305 2.462 0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.941 5.482 0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.483 4.670 0.602 1.00 0.00 H new ATOM 0 HG CYS A 28 13.730 5.707 -1.943 1.00 0.00 H new ATOM 52 N GLY A 29 14.003 2.486 2.862 1.00 0.00 N ATOM 53 CA GLY A 29 14.306 2.358 4.282 1.00 0.00 C ATOM 54 C GLY A 29 15.554 1.506 4.501 1.00 0.00 C ATOM 55 O GLY A 29 16.433 1.437 3.638 1.00 0.00 O ATOM 0 H GLY A 29 14.583 1.911 2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.456 3.347 4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.459 1.908 4.799 1.00 0.00 H new ATOM 59 N ARG A 30 15.627 0.868 5.666 1.00 0.00 N ATOM 60 CA ARG A 30 16.778 0.032 5.994 1.00 0.00 C ATOM 61 C ARG A 30 16.354 -1.421 6.161 1.00 0.00 C ATOM 62 O ARG A 30 15.263 -1.708 6.651 1.00 0.00 O ATOM 63 CB ARG A 30 17.427 0.527 7.289 1.00 0.00 C ATOM 64 CG ARG A 30 17.890 1.975 7.112 1.00 0.00 C ATOM 65 CD ARG A 30 19.130 2.011 6.223 1.00 0.00 C ATOM 66 NE ARG A 30 19.641 3.372 6.116 1.00 0.00 N ATOM 67 CZ ARG A 30 20.753 3.638 5.436 1.00 0.00 C ATOM 68 NH1 ARG A 30 21.414 2.675 4.845 1.00 0.00 N ATOM 69 NH2 ARG A 30 21.187 4.868 5.355 1.00 0.00 N ATOM 0 H ARG A 30 14.911 0.913 6.391 1.00 0.00 H new ATOM 0 HA ARG A 30 17.497 0.097 5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.716 0.460 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.275 -0.107 7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.093 2.570 6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.113 2.417 8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.900 1.358 6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.886 1.629 5.232 1.00 0.00 H new ATOM 0 HE ARG A 30 19.137 4.134 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 30 21.077 1.714 4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.266 2.886 4.325 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.673 5.621 5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.039 5.075 4.834 1.00 0.00 H new ATOM 83 N ALA A 31 17.220 -2.335 5.734 1.00 0.00 N ATOM 84 CA ALA A 31 16.918 -3.756 5.836 1.00 0.00 C ATOM 85 C ALA A 31 17.855 -4.435 6.834 1.00 0.00 C ATOM 86 O ALA A 31 19.072 -4.417 6.665 1.00 0.00 O ATOM 87 CB ALA A 31 17.069 -4.418 4.460 1.00 0.00 C ATOM 0 H ALA A 31 18.126 -2.119 5.319 1.00 0.00 H new ATOM 0 HA ALA A 31 15.892 -3.868 6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.842 -5.481 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.380 -3.953 3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.092 -4.291 4.106 1.00 0.00 H new ATOM 93 N ARG A 32 17.277 -5.052 7.854 1.00 0.00 N ATOM 94 CA ARG A 32 18.058 -5.755 8.861 1.00 0.00 C ATOM 95 C ARG A 32 18.141 -7.242 8.531 1.00 0.00 C ATOM 96 O ARG A 32 17.122 -7.919 8.411 1.00 0.00 O ATOM 97 CB ARG A 32 17.425 -5.572 10.239 1.00 0.00 C ATOM 98 CG ARG A 32 17.775 -4.188 10.782 1.00 0.00 C ATOM 99 CD ARG A 32 16.957 -3.905 12.032 1.00 0.00 C ATOM 100 NE ARG A 32 17.421 -2.685 12.682 1.00 0.00 N ATOM 101 CZ ARG A 32 16.761 -2.157 13.710 1.00 0.00 C ATOM 102 NH1 ARG A 32 15.674 -2.730 14.163 1.00 0.00 N ATOM 103 NH2 ARG A 32 17.201 -1.063 14.274 1.00 0.00 N ATOM 0 H ARG A 32 16.269 -5.080 8.006 1.00 0.00 H new ATOM 0 HA ARG A 32 19.065 -5.337 8.868 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.343 -5.685 10.171 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.784 -6.343 10.921 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.839 -4.136 11.013 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.575 -3.429 10.026 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.904 -3.806 11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.036 -4.744 12.723 1.00 0.00 H new ATOM 0 HE ARG A 32 18.267 -2.228 12.342 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.329 -3.586 13.728 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.172 -2.321 14.951 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.049 -0.615 13.926 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.696 -0.657 15.062 1.00 0.00 H new ATOM 117 N VAL A 33 19.363 -7.743 8.373 1.00 0.00 N ATOM 118 CA VAL A 33 19.557 -9.149 8.043 1.00 0.00 C ATOM 119 C VAL A 33 19.348 -10.017 9.278 1.00 0.00 C ATOM 120 O VAL A 33 20.057 -9.877 10.275 1.00 0.00 O ATOM 121 CB VAL A 33 20.973 -9.362 7.502 1.00 0.00 C ATOM 122 CG1 VAL A 33 21.178 -10.841 7.166 1.00 0.00 C ATOM 123 CG2 VAL A 33 21.168 -8.522 6.239 1.00 0.00 C ATOM 0 H VAL A 33 20.223 -7.203 8.467 1.00 0.00 H new ATOM 0 HA VAL A 33 18.829 -9.434 7.283 1.00 0.00 H new ATOM 0 HB VAL A 33 21.698 -9.058 8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 33 22.187 -10.990 6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 33 21.040 -11.441 8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.453 -11.147 6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 33 22.176 -8.673 5.853 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.442 -8.825 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.025 -7.468 6.477 1.00 0.00 H new ATOM 133 N HIS A 34 18.377 -10.921 9.202 1.00 0.00 N ATOM 134 CA HIS A 34 18.086 -11.814 10.318 1.00 0.00 C ATOM 135 C HIS A 34 18.587 -13.224 10.017 1.00 0.00 C ATOM 136 O HIS A 34 18.716 -14.052 10.922 1.00 0.00 O ATOM 137 CB HIS A 34 16.581 -11.853 10.579 1.00 0.00 C ATOM 138 CG HIS A 34 15.938 -12.868 9.674 1.00 0.00 C ATOM 139 ND1 HIS A 34 15.562 -12.817 8.355 1.00 0.00 N flip ATOM 140 CD2 HIS A 34 15.606 -14.140 10.113 1.00 0.00 C flip ATOM 141 CE1 HIS A 34 15.004 -14.036 7.980 1.00 0.00 C flip ATOM 142 NE2 HIS A 34 15.055 -14.797 9.076 1.00 0.00 N flip ATOM 0 H HIS A 34 17.781 -11.055 8.385 1.00 0.00 H new ATOM 0 HA HIS A 34 18.598 -11.437 11.204 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.389 -12.107 11.621 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.146 -10.869 10.405 1.00 0.00 H new ATOM 0 HD2 HIS A 34 15.761 -14.533 11.107 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.614 -14.308 7.010 1.00 0.00 H new ATOM 0 HE2 HIS A 34 14.718 -15.759 9.122 1.00 0.00 H new ATOM 150 N THR A 35 18.875 -13.493 8.744 1.00 0.00 N ATOM 151 CA THR A 35 19.368 -14.802 8.339 1.00 0.00 C ATOM 152 C THR A 35 20.669 -14.666 7.557 1.00 0.00 C ATOM 153 O THR A 35 20.841 -13.726 6.778 1.00 0.00 O ATOM 154 CB THR A 35 18.324 -15.516 7.483 1.00 0.00 C ATOM 155 OG1 THR A 35 17.394 -16.177 8.326 1.00 0.00 O ATOM 156 CG2 THR A 35 19.011 -16.532 6.570 1.00 0.00 C ATOM 0 H THR A 35 18.775 -12.823 7.981 1.00 0.00 H new ATOM 0 HA THR A 35 19.558 -15.390 9.237 1.00 0.00 H new ATOM 0 HB THR A 35 17.798 -14.785 6.868 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.512 -15.762 8.228 1.00 0.00 H new ATOM 0 HG21 THR A 35 18.262 -17.039 5.961 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.719 -16.017 5.920 1.00 0.00 H new ATOM 0 HG23 THR A 35 19.542 -17.265 7.177 1.00 0.00 H new ATOM 164 N ASP A 36 21.588 -15.602 7.772 1.00 0.00 N ATOM 165 CA ASP A 36 22.873 -15.563 7.086 1.00 0.00 C ATOM 166 C ASP A 36 22.721 -16.048 5.648 1.00 0.00 C ATOM 167 O ASP A 36 22.595 -17.247 5.393 1.00 0.00 O ATOM 168 CB ASP A 36 23.880 -16.454 7.820 1.00 0.00 C ATOM 169 CG ASP A 36 25.265 -16.302 7.196 1.00 0.00 C ATOM 170 OD1 ASP A 36 25.368 -15.638 6.179 1.00 0.00 O ATOM 171 OD2 ASP A 36 26.204 -16.849 7.750 1.00 0.00 O ATOM 0 H ASP A 36 21.468 -16.389 8.409 1.00 0.00 H new ATOM 0 HA ASP A 36 23.233 -14.534 7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.916 -16.183 8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.561 -17.495 7.769 1.00 0.00 H new ATOM 176 N PHE A 37 22.741 -15.105 4.709 1.00 0.00 N ATOM 177 CA PHE A 37 22.612 -15.442 3.296 1.00 0.00 C ATOM 178 C PHE A 37 23.878 -15.064 2.536 1.00 0.00 C ATOM 179 O PHE A 37 24.219 -13.885 2.427 1.00 0.00 O ATOM 180 CB PHE A 37 21.410 -14.711 2.695 1.00 0.00 C ATOM 181 CG PHE A 37 21.436 -14.852 1.192 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.431 -16.124 0.609 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.462 -13.709 0.381 1.00 0.00 C ATOM 184 CE1 PHE A 37 21.455 -16.255 -0.785 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.485 -13.841 -1.012 1.00 0.00 C ATOM 186 CZ PHE A 37 21.483 -15.113 -1.595 1.00 0.00 C ATOM 0 H PHE A 37 22.845 -14.108 4.900 1.00 0.00 H new ATOM 0 HA PHE A 37 22.462 -16.518 3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.483 -15.124 3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 37 21.435 -13.657 2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 37 21.409 -17.005 1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 37 21.464 -12.727 0.831 1.00 0.00 H new ATOM 0 HE1 PHE A 37 21.452 -17.237 -1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 37 21.504 -12.961 -1.637 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.503 -15.214 -2.670 1.00 0.00 H new ATOM 196 N THR A 38 24.566 -16.074 2.009 1.00 0.00 N ATOM 197 CA THR A 38 25.789 -15.834 1.265 1.00 0.00 C ATOM 198 C THR A 38 25.750 -16.559 -0.086 1.00 0.00 C ATOM 199 O THR A 38 25.318 -17.711 -0.162 1.00 0.00 O ATOM 200 CB THR A 38 27.002 -16.308 2.062 1.00 0.00 C ATOM 201 OG1 THR A 38 28.189 -16.035 1.327 1.00 0.00 O ATOM 202 CG2 THR A 38 26.891 -17.810 2.314 1.00 0.00 C ATOM 0 H THR A 38 24.297 -17.055 2.085 1.00 0.00 H new ATOM 0 HA THR A 38 25.872 -14.761 1.091 1.00 0.00 H new ATOM 0 HB THR A 38 27.038 -15.782 3.016 1.00 0.00 H new ATOM 0 HG1 THR A 38 28.968 -16.338 1.839 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.757 -18.148 2.883 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.982 -18.018 2.878 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.855 -18.337 1.361 1.00 0.00 H new ATOM 210 N PRO A 39 26.186 -15.911 -1.136 1.00 0.00 N ATOM 211 CA PRO A 39 26.190 -16.499 -2.504 1.00 0.00 C ATOM 212 C PRO A 39 27.276 -17.555 -2.675 1.00 0.00 C ATOM 213 O PRO A 39 28.235 -17.603 -1.905 1.00 0.00 O ATOM 214 CB PRO A 39 26.445 -15.296 -3.409 1.00 0.00 C ATOM 215 CG PRO A 39 27.183 -14.313 -2.565 1.00 0.00 C ATOM 216 CD PRO A 39 26.720 -14.542 -1.133 1.00 0.00 C ATOM 0 HA PRO A 39 25.259 -17.019 -2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 39 27.030 -15.580 -4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 39 25.509 -14.874 -3.775 1.00 0.00 H new ATOM 0 HG2 PRO A 39 28.260 -14.457 -2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 39 26.971 -13.292 -2.883 1.00 0.00 H new ATOM 0 HD2 PRO A 39 27.544 -14.439 -0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 39 25.958 -13.819 -0.841 1.00 0.00 H new ATOM 224 N SER A 40 27.115 -18.398 -3.689 1.00 0.00 N ATOM 225 CA SER A 40 28.086 -19.449 -3.950 1.00 0.00 C ATOM 226 C SER A 40 29.392 -18.852 -4.474 1.00 0.00 C ATOM 227 O SER A 40 29.421 -17.715 -4.943 1.00 0.00 O ATOM 228 CB SER A 40 27.531 -20.434 -4.978 1.00 0.00 C ATOM 229 OG SER A 40 27.415 -19.779 -6.232 1.00 0.00 O ATOM 0 H SER A 40 26.328 -18.374 -4.337 1.00 0.00 H new ATOM 0 HA SER A 40 28.283 -19.973 -3.015 1.00 0.00 H new ATOM 0 HB2 SER A 40 28.189 -21.298 -5.065 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.558 -20.805 -4.656 1.00 0.00 H new ATOM 0 HG SER A 40 27.709 -20.383 -6.945 1.00 0.00 H new ATOM 235 N PRO A 41 30.464 -19.596 -4.399 1.00 0.00 N ATOM 236 CA PRO A 41 31.805 -19.133 -4.874 1.00 0.00 C ATOM 237 C PRO A 41 31.776 -18.682 -6.332 1.00 0.00 C ATOM 238 O PRO A 41 32.434 -17.713 -6.707 1.00 0.00 O ATOM 239 CB PRO A 41 32.691 -20.371 -4.710 1.00 0.00 C ATOM 240 CG PRO A 41 32.014 -21.201 -3.674 1.00 0.00 C ATOM 241 CD PRO A 41 30.526 -20.961 -3.854 1.00 0.00 C ATOM 0 HA PRO A 41 32.160 -18.267 -4.315 1.00 0.00 H new ATOM 0 HB2 PRO A 41 32.786 -20.915 -5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 41 33.698 -20.096 -4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 41 32.257 -22.256 -3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 41 32.337 -20.916 -2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 41 30.082 -21.686 -4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 41 29.989 -21.041 -2.909 1.00 0.00 H new ATOM 249 N TYR A 42 31.004 -19.389 -7.148 1.00 0.00 N ATOM 250 CA TYR A 42 30.889 -19.050 -8.563 1.00 0.00 C ATOM 251 C TYR A 42 29.816 -17.980 -8.778 1.00 0.00 C ATOM 252 O TYR A 42 29.550 -17.578 -9.911 1.00 0.00 O ATOM 253 CB TYR A 42 30.531 -20.297 -9.376 1.00 0.00 C ATOM 254 CG TYR A 42 29.222 -20.865 -8.880 1.00 0.00 C ATOM 255 CD1 TYR A 42 28.011 -20.383 -9.392 1.00 0.00 C ATOM 256 CD2 TYR A 42 29.218 -21.876 -7.910 1.00 0.00 C ATOM 257 CE1 TYR A 42 26.798 -20.910 -8.934 1.00 0.00 C ATOM 258 CE2 TYR A 42 28.006 -22.402 -7.452 1.00 0.00 C ATOM 259 CZ TYR A 42 26.795 -21.919 -7.963 1.00 0.00 C ATOM 260 OH TYR A 42 25.599 -22.436 -7.509 1.00 0.00 O ATOM 0 H TYR A 42 30.451 -20.196 -6.858 1.00 0.00 H new ATOM 0 HA TYR A 42 31.850 -18.660 -8.898 1.00 0.00 H new ATOM 0 HB2 TYR A 42 30.452 -20.044 -10.433 1.00 0.00 H new ATOM 0 HB3 TYR A 42 31.321 -21.043 -9.284 1.00 0.00 H new ATOM 0 HD1 TYR A 42 28.013 -19.604 -10.140 1.00 0.00 H new ATOM 0 HD2 TYR A 42 30.152 -22.249 -7.516 1.00 0.00 H new ATOM 0 HE1 TYR A 42 25.864 -20.538 -9.329 1.00 0.00 H new ATOM 0 HE2 TYR A 42 28.004 -23.181 -6.704 1.00 0.00 H new ATOM 0 HH TYR A 42 25.775 -23.128 -6.838 1.00 0.00 H new ATOM 270 N ASP A 43 29.205 -17.523 -7.686 1.00 0.00 N ATOM 271 CA ASP A 43 28.170 -16.506 -7.769 1.00 0.00 C ATOM 272 C ASP A 43 28.697 -15.170 -7.255 1.00 0.00 C ATOM 273 O ASP A 43 28.911 -14.995 -6.055 1.00 0.00 O ATOM 274 CB ASP A 43 26.956 -16.934 -6.945 1.00 0.00 C ATOM 275 CG ASP A 43 25.834 -15.913 -7.103 1.00 0.00 C ATOM 276 OD1 ASP A 43 26.035 -14.944 -7.815 1.00 0.00 O ATOM 277 OD2 ASP A 43 24.790 -16.117 -6.508 1.00 0.00 O ATOM 0 H ASP A 43 29.411 -17.842 -6.739 1.00 0.00 H new ATOM 0 HA ASP A 43 27.876 -16.390 -8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 43 26.614 -17.917 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 43 27.232 -17.024 -5.894 1.00 0.00 H new ATOM 282 N THR A 44 28.901 -14.229 -8.170 1.00 0.00 N ATOM 283 CA THR A 44 29.399 -12.910 -7.799 1.00 0.00 C ATOM 284 C THR A 44 28.319 -11.850 -7.992 1.00 0.00 C ATOM 285 O THR A 44 28.321 -10.817 -7.321 1.00 0.00 O ATOM 286 CB THR A 44 30.622 -12.558 -8.648 1.00 0.00 C ATOM 287 OG1 THR A 44 31.115 -11.284 -8.259 1.00 0.00 O ATOM 288 CG2 THR A 44 30.229 -12.528 -10.125 1.00 0.00 C ATOM 0 H THR A 44 28.730 -14.354 -9.168 1.00 0.00 H new ATOM 0 HA THR A 44 29.680 -12.933 -6.746 1.00 0.00 H new ATOM 0 HB THR A 44 31.398 -13.309 -8.498 1.00 0.00 H new ATOM 0 HG1 THR A 44 31.900 -11.057 -8.801 1.00 0.00 H new ATOM 0 HG21 THR A 44 31.101 -12.277 -10.729 1.00 0.00 H new ATOM 0 HG22 THR A 44 29.852 -13.507 -10.421 1.00 0.00 H new ATOM 0 HG23 THR A 44 29.453 -11.778 -10.280 1.00 0.00 H new ATOM 296 N ASP A 45 27.402 -12.108 -8.918 1.00 0.00 N ATOM 297 CA ASP A 45 26.324 -11.166 -9.197 1.00 0.00 C ATOM 298 C ASP A 45 25.443 -10.977 -7.967 1.00 0.00 C ATOM 299 O ASP A 45 24.998 -9.867 -7.675 1.00 0.00 O ATOM 300 CB ASP A 45 25.476 -11.676 -10.364 1.00 0.00 C ATOM 301 CG ASP A 45 24.474 -10.606 -10.784 1.00 0.00 C ATOM 302 OD1 ASP A 45 24.911 -9.541 -11.192 1.00 0.00 O ATOM 303 OD2 ASP A 45 23.286 -10.866 -10.697 1.00 0.00 O ATOM 0 H ASP A 45 27.383 -12.956 -9.485 1.00 0.00 H new ATOM 0 HA ASP A 45 26.765 -10.205 -9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.118 -11.935 -11.206 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.950 -12.585 -10.073 1.00 0.00 H new ATOM 308 N SER A 46 25.200 -12.067 -7.250 1.00 0.00 N ATOM 309 CA SER A 46 24.375 -12.014 -6.049 1.00 0.00 C ATOM 310 C SER A 46 25.097 -11.261 -4.935 1.00 0.00 C ATOM 311 O SER A 46 26.310 -11.397 -4.768 1.00 0.00 O ATOM 312 CB SER A 46 24.034 -13.426 -5.582 1.00 0.00 C ATOM 313 OG SER A 46 23.353 -13.358 -4.336 1.00 0.00 O ATOM 0 H SER A 46 25.560 -12.994 -7.477 1.00 0.00 H new ATOM 0 HA SER A 46 23.453 -11.484 -6.289 1.00 0.00 H new ATOM 0 HB2 SER A 46 23.410 -13.926 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 46 24.944 -14.017 -5.480 1.00 0.00 H new ATOM 0 HG SER A 46 23.131 -14.264 -4.035 1.00 0.00 H new ATOM 319 N LEU A 47 24.346 -10.472 -4.173 1.00 0.00 N ATOM 320 CA LEU A 47 24.924 -9.709 -3.079 1.00 0.00 C ATOM 321 C LEU A 47 25.044 -10.574 -1.827 1.00 0.00 C ATOM 322 O LEU A 47 24.169 -11.391 -1.541 1.00 0.00 O ATOM 323 CB LEU A 47 24.057 -8.484 -2.778 1.00 0.00 C ATOM 324 CG LEU A 47 24.687 -7.669 -1.645 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.049 -7.132 -2.092 1.00 0.00 C ATOM 326 CD2 LEU A 47 23.769 -6.499 -1.290 1.00 0.00 C ATOM 0 H LEU A 47 23.341 -10.346 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 47 25.920 -9.381 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.960 -7.867 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.052 -8.798 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 47 24.820 -8.307 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.495 -6.552 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.704 -7.966 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.920 -6.495 -2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.216 -5.918 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.635 -5.863 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 47 22.800 -6.881 -0.968 1.00 0.00 H new ATOM 338 N LYS A 48 26.117 -10.368 -1.067 1.00 0.00 N ATOM 339 CA LYS A 48 26.326 -11.117 0.164 1.00 0.00 C ATOM 340 C LYS A 48 25.886 -10.299 1.376 1.00 0.00 C ATOM 341 O LYS A 48 26.158 -9.101 1.463 1.00 0.00 O ATOM 342 CB LYS A 48 27.804 -11.488 0.298 1.00 0.00 C ATOM 343 CG LYS A 48 28.636 -10.220 0.509 1.00 0.00 C ATOM 344 CD LYS A 48 30.119 -10.585 0.565 1.00 0.00 C ATOM 345 CE LYS A 48 30.942 -9.328 0.852 1.00 0.00 C ATOM 346 NZ LYS A 48 30.750 -8.346 -0.252 1.00 0.00 N ATOM 0 H LYS A 48 26.850 -9.692 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 48 25.725 -12.025 0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.943 -12.170 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.141 -12.011 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.455 -9.515 -0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.337 -9.726 1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.292 -11.331 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.431 -11.029 -0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.636 -8.889 1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.997 -9.585 0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 31.671 -7.950 -0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.319 -8.823 -1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 30.126 -7.579 0.070 1.00 0.00 H new ATOM 360 N ILE A 49 25.211 -10.956 2.312 1.00 0.00 N ATOM 361 CA ILE A 49 24.748 -10.279 3.521 1.00 0.00 C ATOM 362 C ILE A 49 24.976 -11.151 4.750 1.00 0.00 C ATOM 363 O ILE A 49 24.901 -12.376 4.673 1.00 0.00 O ATOM 364 CB ILE A 49 23.261 -9.956 3.392 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.473 -11.255 3.186 1.00 0.00 C ATOM 366 CG2 ILE A 49 23.040 -9.030 2.196 1.00 0.00 C ATOM 367 CD1 ILE A 49 20.972 -10.965 3.277 1.00 0.00 C ATOM 0 H ILE A 49 24.973 -11.947 2.260 1.00 0.00 H new ATOM 0 HA ILE A 49 25.316 -9.356 3.639 1.00 0.00 H new ATOM 0 HB ILE A 49 22.917 -9.462 4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.712 -11.687 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.758 -11.989 3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 49 21.978 -8.800 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 49 23.600 -8.106 2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 49 23.384 -9.522 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.413 -11.889 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.740 -10.553 4.259 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.693 -10.246 2.507 1.00 0.00 H new ATOM 379 N LYS A 50 25.247 -10.510 5.885 1.00 0.00 N ATOM 380 CA LYS A 50 25.488 -11.249 7.121 1.00 0.00 C ATOM 381 C LYS A 50 24.453 -10.862 8.171 1.00 0.00 C ATOM 382 O LYS A 50 23.871 -9.783 8.111 1.00 0.00 O ATOM 383 CB LYS A 50 26.885 -10.933 7.658 1.00 0.00 C ATOM 384 CG LYS A 50 27.903 -11.023 6.519 1.00 0.00 C ATOM 385 CD LYS A 50 27.940 -12.448 5.963 1.00 0.00 C ATOM 386 CE LYS A 50 28.974 -12.535 4.842 1.00 0.00 C ATOM 387 NZ LYS A 50 28.982 -13.915 4.280 1.00 0.00 N ATOM 0 H LYS A 50 25.305 -9.496 5.974 1.00 0.00 H new ATOM 0 HA LYS A 50 25.412 -12.315 6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.901 -9.935 8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 50 27.148 -11.633 8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.639 -10.322 5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.891 -10.739 6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.189 -13.152 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.956 -12.728 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.739 -11.813 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.963 -12.281 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 29.863 -14.069 3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 28.920 -14.606 5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.169 -14.035 3.643 1.00 0.00 H new ATOM 401 N LYS A 51 24.223 -11.751 9.131 1.00 0.00 N ATOM 402 CA LYS A 51 23.250 -11.480 10.183 1.00 0.00 C ATOM 403 C LYS A 51 23.664 -10.253 10.989 1.00 0.00 C ATOM 404 O LYS A 51 24.736 -10.228 11.592 1.00 0.00 O ATOM 405 CB LYS A 51 23.149 -12.693 11.112 1.00 0.00 C ATOM 406 CG LYS A 51 22.056 -12.451 12.155 1.00 0.00 C ATOM 407 CD LYS A 51 21.863 -13.712 13.001 1.00 0.00 C ATOM 408 CE LYS A 51 23.092 -13.928 13.885 1.00 0.00 C ATOM 409 NZ LYS A 51 22.849 -15.076 14.804 1.00 0.00 N ATOM 0 H LYS A 51 24.690 -12.655 9.203 1.00 0.00 H new ATOM 0 HA LYS A 51 22.281 -11.287 9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.922 -13.589 10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.105 -12.866 11.606 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.329 -11.611 12.794 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.121 -12.186 11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.970 -13.615 13.619 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.711 -14.576 12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 51 23.968 -14.123 13.266 1.00 0.00 H new ATOM 0 HE3 LYS A 51 23.302 -13.026 14.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.685 -15.223 15.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.023 -14.873 15.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.669 -15.935 14.246 1.00 0.00 H new ATOM 423 N GLY A 52 22.799 -9.247 11.005 1.00 0.00 N ATOM 424 CA GLY A 52 23.077 -8.018 11.742 1.00 0.00 C ATOM 425 C GLY A 52 23.461 -6.886 10.796 1.00 0.00 C ATOM 426 O GLY A 52 23.321 -5.708 11.137 1.00 0.00 O ATOM 0 H GLY A 52 21.902 -9.256 10.519 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.199 -7.731 12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.885 -8.192 12.453 1.00 0.00 H new ATOM 430 N ASP A 53 23.926 -7.242 9.599 1.00 0.00 N ATOM 431 CA ASP A 53 24.306 -6.240 8.615 1.00 0.00 C ATOM 432 C ASP A 53 23.089 -5.443 8.151 1.00 0.00 C ATOM 433 O ASP A 53 21.977 -5.969 8.083 1.00 0.00 O ATOM 434 CB ASP A 53 24.957 -6.916 7.408 1.00 0.00 C ATOM 435 CG ASP A 53 26.379 -7.342 7.753 1.00 0.00 C ATOM 436 OD1 ASP A 53 26.843 -6.978 8.821 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.993 -8.002 6.931 1.00 0.00 O ATOM 0 H ASP A 53 24.046 -8.208 9.293 1.00 0.00 H new ATOM 0 HA ASP A 53 25.015 -5.557 9.083 1.00 0.00 H new ATOM 0 HB2 ASP A 53 24.371 -7.785 7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 53 24.969 -6.231 6.560 1.00 0.00 H new ATOM 442 N ILE A 54 23.310 -4.172 7.831 1.00 0.00 N ATOM 443 CA ILE A 54 22.226 -3.310 7.370 1.00 0.00 C ATOM 444 C ILE A 54 22.373 -3.010 5.887 1.00 0.00 C ATOM 445 O ILE A 54 23.423 -2.559 5.436 1.00 0.00 O ATOM 446 CB ILE A 54 22.231 -1.996 8.158 1.00 0.00 C ATOM 447 CG1 ILE A 54 22.147 -2.295 9.659 1.00 0.00 C ATOM 448 CG2 ILE A 54 21.027 -1.146 7.741 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.846 -3.045 9.973 1.00 0.00 C ATOM 0 H ILE A 54 24.222 -3.718 7.882 1.00 0.00 H new ATOM 0 HA ILE A 54 21.282 -3.830 7.533 1.00 0.00 H new ATOM 0 HB ILE A 54 23.152 -1.453 7.948 1.00 0.00 H new ATOM 0 HG12 ILE A 54 23.005 -2.893 9.968 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.186 -1.365 10.226 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.030 -0.211 8.301 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.086 -0.930 6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 54 20.107 -1.691 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.795 -3.253 11.042 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.993 -2.432 9.682 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.824 -3.984 9.419 1.00 0.00 H new ATOM 461 N ILE A 55 21.311 -3.270 5.132 1.00 0.00 N ATOM 462 CA ILE A 55 21.326 -3.027 3.694 1.00 0.00 C ATOM 463 C ILE A 55 20.438 -1.843 3.337 1.00 0.00 C ATOM 464 O ILE A 55 19.276 -1.782 3.741 1.00 0.00 O ATOM 465 CB ILE A 55 20.846 -4.272 2.944 1.00 0.00 C ATOM 466 CG1 ILE A 55 21.841 -5.411 3.158 1.00 0.00 C ATOM 467 CG2 ILE A 55 20.735 -3.959 1.452 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.111 -6.640 3.699 1.00 0.00 C ATOM 0 H ILE A 55 20.433 -3.647 5.489 1.00 0.00 H new ATOM 0 HA ILE A 55 22.350 -2.799 3.399 1.00 0.00 H new ATOM 0 HB ILE A 55 19.869 -4.570 3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.336 -5.655 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.618 -5.101 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 55 20.393 -4.846 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.022 -3.148 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 55 21.711 -3.659 1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.825 -7.450 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.636 -6.393 4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.350 -6.955 2.985 1.00 0.00 H new ATOM 480 N ASP A 56 20.994 -0.901 2.580 1.00 0.00 N ATOM 481 CA ASP A 56 20.239 0.284 2.177 1.00 0.00 C ATOM 482 C ASP A 56 19.317 -0.048 1.008 1.00 0.00 C ATOM 483 O ASP A 56 19.782 -0.338 -0.094 1.00 0.00 O ATOM 484 CB ASP A 56 21.198 1.402 1.773 1.00 0.00 C ATOM 485 CG ASP A 56 20.407 2.644 1.374 1.00 0.00 C ATOM 486 OD1 ASP A 56 19.738 3.198 2.230 1.00 0.00 O ATOM 487 OD2 ASP A 56 20.486 3.025 0.217 1.00 0.00 O ATOM 0 H ASP A 56 21.954 -0.933 2.236 1.00 0.00 H new ATOM 0 HA ASP A 56 19.635 0.615 3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.867 1.636 2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 56 21.822 1.075 0.942 1.00 0.00 H new ATOM 492 N ILE A 57 18.010 -0.014 1.260 1.00 0.00 N ATOM 493 CA ILE A 57 17.038 -0.325 0.219 1.00 0.00 C ATOM 494 C ILE A 57 17.090 0.717 -0.892 1.00 0.00 C ATOM 495 O ILE A 57 16.986 1.917 -0.637 1.00 0.00 O ATOM 496 CB ILE A 57 15.630 -0.358 0.818 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.541 -1.491 1.845 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.606 -0.597 -0.292 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.237 -1.362 2.635 1.00 0.00 C ATOM 0 H ILE A 57 17.605 0.223 2.166 1.00 0.00 H new ATOM 0 HA ILE A 57 17.282 -1.301 -0.201 1.00 0.00 H new ATOM 0 HB ILE A 57 15.421 0.595 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.579 -2.457 1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.394 -1.450 2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.604 -0.620 0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.669 0.208 -1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.814 -1.549 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.173 -2.168 3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.218 -0.402 3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.390 -1.424 1.952 1.00 0.00 H new ATOM 511 N ILE A 58 17.255 0.250 -2.125 1.00 0.00 N ATOM 512 CA ILE A 58 17.320 1.150 -3.268 1.00 0.00 C ATOM 513 C ILE A 58 16.100 0.969 -4.163 1.00 0.00 C ATOM 514 O ILE A 58 15.388 1.929 -4.463 1.00 0.00 O ATOM 515 CB ILE A 58 18.592 0.876 -4.075 1.00 0.00 C ATOM 516 CG1 ILE A 58 19.817 1.206 -3.220 1.00 0.00 C ATOM 517 CG2 ILE A 58 18.600 1.749 -5.331 1.00 0.00 C ATOM 518 CD1 ILE A 58 21.079 0.695 -3.918 1.00 0.00 C ATOM 0 H ILE A 58 17.345 -0.739 -2.356 1.00 0.00 H new ATOM 0 HA ILE A 58 17.336 2.176 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 58 18.619 -0.175 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.885 2.283 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.721 0.747 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.506 1.553 -5.905 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.727 1.517 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.573 2.800 -5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.952 0.930 -3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.009 -0.385 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.176 1.175 -4.892 1.00 0.00 H new ATOM 530 N CYS A 59 15.873 -0.267 -4.600 1.00 0.00 N ATOM 531 CA CYS A 59 14.741 -0.561 -5.474 1.00 0.00 C ATOM 532 C CYS A 59 14.447 -2.057 -5.492 1.00 0.00 C ATOM 533 O CYS A 59 15.338 -2.880 -5.300 1.00 0.00 O ATOM 534 CB CYS A 59 15.036 -0.077 -6.896 1.00 0.00 C ATOM 535 SG CYS A 59 13.595 -0.384 -7.949 1.00 0.00 S ATOM 0 H CYS A 59 16.452 -1.074 -4.366 1.00 0.00 H new ATOM 0 HA CYS A 59 13.866 -0.038 -5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.274 0.987 -6.888 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.908 -0.595 -7.295 1.00 0.00 H new ATOM 0 HG CYS A 59 13.348 -1.660 -7.986 1.00 0.00 H new ATOM 541 N LYS A 60 13.190 -2.407 -5.729 1.00 0.00 N ATOM 542 CA LYS A 60 12.796 -3.812 -5.775 1.00 0.00 C ATOM 543 C LYS A 60 12.629 -4.272 -7.220 1.00 0.00 C ATOM 544 O LYS A 60 12.382 -3.461 -8.116 1.00 0.00 O ATOM 545 CB LYS A 60 11.484 -4.015 -5.023 1.00 0.00 C ATOM 546 CG LYS A 60 11.564 -3.315 -3.662 1.00 0.00 C ATOM 547 CD LYS A 60 10.752 -2.015 -3.697 1.00 0.00 C ATOM 548 CE LYS A 60 9.706 -2.041 -2.584 1.00 0.00 C ATOM 549 NZ LYS A 60 8.688 -3.089 -2.883 1.00 0.00 N ATOM 0 H LYS A 60 12.431 -1.746 -5.891 1.00 0.00 H new ATOM 0 HA LYS A 60 13.580 -4.403 -5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.654 -3.613 -5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.291 -5.079 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.181 -3.973 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.603 -3.099 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.412 -1.157 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.266 -1.903 -4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.184 -2.246 -1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.226 -1.066 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.804 -2.867 -2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.508 -3.116 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.041 -4.015 -2.569 1.00 0.00 H new ATOM 563 N THR A 61 12.761 -5.577 -7.439 1.00 0.00 N ATOM 564 CA THR A 61 12.623 -6.124 -8.779 1.00 0.00 C ATOM 565 C THR A 61 11.340 -6.950 -8.886 1.00 0.00 C ATOM 566 O THR A 61 10.842 -7.474 -7.888 1.00 0.00 O ATOM 567 CB THR A 61 13.830 -7.011 -9.113 1.00 0.00 C ATOM 568 OG1 THR A 61 13.817 -8.160 -8.281 1.00 0.00 O ATOM 569 CG2 THR A 61 15.114 -6.220 -8.883 1.00 0.00 C ATOM 0 H THR A 61 12.961 -6.266 -6.714 1.00 0.00 H new ATOM 0 HA THR A 61 12.575 -5.296 -9.487 1.00 0.00 H new ATOM 0 HB THR A 61 13.780 -7.324 -10.156 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.064 -7.905 -7.368 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.974 -6.846 -9.119 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.119 -5.339 -9.525 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.167 -5.908 -7.840 1.00 0.00 H new ATOM 577 N PRO A 62 10.808 -7.076 -10.071 1.00 0.00 N ATOM 578 CA PRO A 62 9.556 -7.854 -10.318 1.00 0.00 C ATOM 579 C PRO A 62 9.697 -9.319 -9.918 1.00 0.00 C ATOM 580 O PRO A 62 8.713 -9.976 -9.576 1.00 0.00 O ATOM 581 CB PRO A 62 9.337 -7.721 -11.831 1.00 0.00 C ATOM 582 CG PRO A 62 10.658 -7.312 -12.392 1.00 0.00 C ATOM 583 CD PRO A 62 11.331 -6.490 -11.312 1.00 0.00 C ATOM 0 HA PRO A 62 8.721 -7.479 -9.726 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.002 -8.664 -12.263 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.570 -6.979 -12.053 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.259 -8.184 -12.651 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.531 -6.729 -13.304 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.417 -6.565 -11.367 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.080 -5.433 -11.395 1.00 0.00 H new ATOM 591 N MET A 63 10.925 -9.821 -9.956 1.00 0.00 N ATOM 592 CA MET A 63 11.187 -11.208 -9.589 1.00 0.00 C ATOM 593 C MET A 63 10.857 -11.443 -8.118 1.00 0.00 C ATOM 594 O MET A 63 10.336 -12.495 -7.748 1.00 0.00 O ATOM 595 CB MET A 63 12.653 -11.551 -9.849 1.00 0.00 C ATOM 596 CG MET A 63 12.909 -11.576 -11.358 1.00 0.00 C ATOM 597 SD MET A 63 14.577 -12.200 -11.681 1.00 0.00 S ATOM 598 CE MET A 63 15.477 -10.695 -11.228 1.00 0.00 C ATOM 0 H MET A 63 11.751 -9.292 -10.235 1.00 0.00 H new ATOM 0 HA MET A 63 10.553 -11.852 -10.199 1.00 0.00 H new ATOM 0 HB2 MET A 63 13.300 -10.816 -9.371 1.00 0.00 H new ATOM 0 HB3 MET A 63 12.894 -12.520 -9.412 1.00 0.00 H new ATOM 0 HG2 MET A 63 12.171 -12.209 -11.852 1.00 0.00 H new ATOM 0 HG3 MET A 63 12.798 -10.574 -11.772 1.00 0.00 H new ATOM 0 HE1 MET A 63 16.155 -10.419 -12.036 1.00 0.00 H new ATOM 0 HE2 MET A 63 14.768 -9.885 -11.056 1.00 0.00 H new ATOM 0 HE3 MET A 63 16.051 -10.874 -10.319 1.00 0.00 H new ATOM 608 N GLY A 64 11.166 -10.454 -7.283 1.00 0.00 N ATOM 609 CA GLY A 64 10.900 -10.561 -5.853 1.00 0.00 C ATOM 610 C GLY A 64 12.106 -10.112 -5.037 1.00 0.00 C ATOM 611 O GLY A 64 11.958 -9.522 -3.969 1.00 0.00 O ATOM 0 H GLY A 64 11.598 -9.576 -7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.034 -9.951 -5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.650 -11.592 -5.602 1.00 0.00 H new ATOM 615 N MET A 65 13.298 -10.401 -5.544 1.00 0.00 N ATOM 616 CA MET A 65 14.525 -10.029 -4.848 1.00 0.00 C ATOM 617 C MET A 65 14.636 -8.512 -4.728 1.00 0.00 C ATOM 618 O MET A 65 14.170 -7.774 -5.594 1.00 0.00 O ATOM 619 CB MET A 65 15.740 -10.569 -5.602 1.00 0.00 C ATOM 620 CG MET A 65 15.942 -12.045 -5.260 1.00 0.00 C ATOM 621 SD MET A 65 17.396 -12.675 -6.136 1.00 0.00 S ATOM 622 CE MET A 65 18.341 -13.174 -4.675 1.00 0.00 C ATOM 0 H MET A 65 13.442 -10.888 -6.428 1.00 0.00 H new ATOM 0 HA MET A 65 14.495 -10.462 -3.848 1.00 0.00 H new ATOM 0 HB2 MET A 65 15.596 -10.451 -6.676 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.629 -9.998 -5.335 1.00 0.00 H new ATOM 0 HG2 MET A 65 16.072 -12.165 -4.184 1.00 0.00 H new ATOM 0 HG3 MET A 65 15.059 -12.618 -5.541 1.00 0.00 H new ATOM 0 HE1 MET A 65 19.272 -13.647 -4.988 1.00 0.00 H new ATOM 0 HE2 MET A 65 18.566 -12.296 -4.070 1.00 0.00 H new ATOM 0 HE3 MET A 65 17.755 -13.880 -4.086 1.00 0.00 H new ATOM 632 N TRP A 66 15.240 -8.054 -3.638 1.00 0.00 N ATOM 633 CA TRP A 66 15.398 -6.624 -3.405 1.00 0.00 C ATOM 634 C TRP A 66 16.818 -6.174 -3.732 1.00 0.00 C ATOM 635 O TRP A 66 17.765 -6.952 -3.618 1.00 0.00 O ATOM 636 CB TRP A 66 15.078 -6.292 -1.944 1.00 0.00 C ATOM 637 CG TRP A 66 13.598 -6.197 -1.758 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.673 -6.737 -2.582 1.00 0.00 C ATOM 639 CD2 TRP A 66 12.858 -5.522 -0.698 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.413 -6.436 -2.099 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.474 -5.691 -0.938 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.250 -4.789 0.437 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.513 -5.150 -0.080 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.285 -4.245 1.299 1.00 0.00 C ATOM 645 CH2 TRP A 66 10.920 -4.426 1.039 1.00 0.00 C ATOM 0 H TRP A 66 15.627 -8.649 -2.905 1.00 0.00 H new ATOM 0 HA TRP A 66 14.705 -6.094 -4.059 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.487 -7.061 -1.289 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.550 -5.350 -1.664 1.00 0.00 H new ATOM 0 HD1 TRP A 66 12.884 -7.310 -3.473 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.544 -6.729 -2.546 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.300 -4.644 0.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.462 -5.292 -0.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.596 -3.684 2.168 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.183 -4.004 1.706 1.00 0.00 H new ATOM 656 N THR A 67 16.956 -4.913 -4.128 1.00 0.00 N ATOM 657 CA THR A 67 18.262 -4.363 -4.463 1.00 0.00 C ATOM 658 C THR A 67 18.640 -3.280 -3.461 1.00 0.00 C ATOM 659 O THR A 67 17.807 -2.437 -3.098 1.00 0.00 O ATOM 660 CB THR A 67 18.254 -3.788 -5.879 1.00 0.00 C ATOM 661 OG1 THR A 67 17.920 -4.818 -6.801 1.00 0.00 O ATOM 662 CG2 THR A 67 19.639 -3.233 -6.211 1.00 0.00 C ATOM 0 H THR A 67 16.182 -4.256 -4.224 1.00 0.00 H new ATOM 0 HA THR A 67 19.000 -5.164 -4.419 1.00 0.00 H new ATOM 0 HB THR A 67 17.519 -2.986 -5.945 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.716 -5.356 -6.993 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.634 -2.823 -7.221 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.896 -2.447 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.376 -4.033 -6.148 1.00 0.00 H new ATOM 670 N GLY A 68 19.895 -3.305 -3.015 1.00 0.00 N ATOM 671 CA GLY A 68 20.369 -2.321 -2.046 1.00 0.00 C ATOM 672 C GLY A 68 21.878 -2.132 -2.150 1.00 0.00 C ATOM 673 O GLY A 68 22.524 -2.687 -3.040 1.00 0.00 O ATOM 0 H GLY A 68 20.594 -3.988 -3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.867 -1.368 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.108 -2.644 -1.038 1.00 0.00 H new ATOM 677 N MET A 69 22.431 -1.340 -1.236 1.00 0.00 N ATOM 678 CA MET A 69 23.865 -1.073 -1.228 1.00 0.00 C ATOM 679 C MET A 69 24.500 -1.581 0.065 1.00 0.00 C ATOM 680 O MET A 69 23.909 -1.467 1.143 1.00 0.00 O ATOM 681 CB MET A 69 24.123 0.427 -1.369 1.00 0.00 C ATOM 682 CG MET A 69 25.624 0.701 -1.292 1.00 0.00 C ATOM 683 SD MET A 69 25.932 2.457 -1.601 1.00 0.00 S ATOM 684 CE MET A 69 25.215 3.087 -0.064 1.00 0.00 C ATOM 0 H MET A 69 21.910 -0.873 -0.494 1.00 0.00 H new ATOM 0 HA MET A 69 24.314 -1.598 -2.071 1.00 0.00 H new ATOM 0 HB2 MET A 69 23.726 0.786 -2.319 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.603 0.971 -0.580 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.006 0.421 -0.310 1.00 0.00 H new ATOM 0 HG3 MET A 69 26.154 0.093 -2.025 1.00 0.00 H new ATOM 0 HE1 MET A 69 25.664 4.050 0.179 1.00 0.00 H new ATOM 0 HE2 MET A 69 24.139 3.209 -0.188 1.00 0.00 H new ATOM 0 HE3 MET A 69 25.409 2.382 0.744 1.00 0.00 H new ATOM 694 N LEU A 70 25.702 -2.137 -0.056 1.00 0.00 N ATOM 695 CA LEU A 70 26.417 -2.655 1.097 1.00 0.00 C ATOM 696 C LEU A 70 27.916 -2.398 0.959 1.00 0.00 C ATOM 697 O LEU A 70 28.584 -3.010 0.143 1.00 0.00 O ATOM 698 CB LEU A 70 26.155 -4.158 1.241 1.00 0.00 C ATOM 699 CG LEU A 70 25.373 -4.418 2.532 1.00 0.00 C ATOM 700 CD1 LEU A 70 24.940 -5.884 2.578 1.00 0.00 C ATOM 701 CD2 LEU A 70 26.267 -4.116 3.737 1.00 0.00 C ATOM 0 H LEU A 70 26.198 -2.239 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 70 26.058 -2.141 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.592 -4.524 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.099 -4.703 1.259 1.00 0.00 H new ATOM 0 HG LEU A 70 24.492 -3.776 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.383 -6.070 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.306 -6.103 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 70 25.821 -6.525 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 70 25.712 -4.300 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.146 -4.760 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 70 26.580 -3.072 3.705 1.00 0.00 H new ATOM 713 N ASN A 71 28.438 -1.508 1.782 1.00 0.00 N ATOM 714 CA ASN A 71 29.865 -1.197 1.758 1.00 0.00 C ATOM 715 C ASN A 71 30.283 -0.800 0.344 1.00 0.00 C ATOM 716 O ASN A 71 31.208 -1.374 -0.229 1.00 0.00 O ATOM 717 CB ASN A 71 30.686 -2.414 2.213 1.00 0.00 C ATOM 718 CG ASN A 71 29.825 -3.353 3.044 1.00 0.00 C ATOM 719 OD1 ASN A 71 29.094 -2.878 4.003 1.00 0.00 O flip ATOM 720 ND2 ASN A 71 29.799 -4.557 2.790 1.00 0.00 N flip ATOM 0 H ASN A 71 27.902 -0.986 2.475 1.00 0.00 H new ATOM 0 HA ASN A 71 30.053 -0.368 2.441 1.00 0.00 H new ATOM 0 HB2 ASN A 71 31.077 -2.943 1.344 1.00 0.00 H new ATOM 0 HB3 ASN A 71 31.544 -2.084 2.798 1.00 0.00 H new ATOM 0 HD21 ASN A 71 30.374 -4.932 2.035 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.202 -5.180 3.334 1.00 0.00 H new ATOM 727 N ASN A 72 29.590 0.183 -0.217 1.00 0.00 N ATOM 728 CA ASN A 72 29.895 0.644 -1.564 1.00 0.00 C ATOM 729 C ASN A 72 29.740 -0.498 -2.564 1.00 0.00 C ATOM 730 O ASN A 72 30.396 -0.517 -3.605 1.00 0.00 O ATOM 731 CB ASN A 72 31.323 1.190 -1.628 1.00 0.00 C ATOM 732 CG ASN A 72 31.484 2.340 -0.641 1.00 0.00 C ATOM 733 OD1 ASN A 72 30.602 3.192 -0.529 1.00 0.00 O ATOM 734 ND2 ASN A 72 32.565 2.417 0.085 1.00 0.00 N ATOM 0 H ASN A 72 28.819 0.673 0.236 1.00 0.00 H new ATOM 0 HA ASN A 72 29.196 1.440 -1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.035 0.398 -1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 72 31.545 1.533 -2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.681 3.184 0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.294 1.710 -0.009 1.00 0.00 H new ATOM 741 N LYS A 73 28.857 -1.444 -2.245 1.00 0.00 N ATOM 742 CA LYS A 73 28.623 -2.577 -3.135 1.00 0.00 C ATOM 743 C LYS A 73 27.125 -2.816 -3.297 1.00 0.00 C ATOM 744 O LYS A 73 26.445 -3.209 -2.357 1.00 0.00 O ATOM 745 CB LYS A 73 29.290 -3.832 -2.558 1.00 0.00 C ATOM 746 CG LYS A 73 29.271 -4.943 -3.611 1.00 0.00 C ATOM 747 CD LYS A 73 30.022 -6.163 -3.076 1.00 0.00 C ATOM 748 CE LYS A 73 30.012 -7.271 -4.131 1.00 0.00 C ATOM 749 NZ LYS A 73 30.766 -8.450 -3.618 1.00 0.00 N ATOM 0 H LYS A 73 28.300 -1.448 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 73 29.053 -2.356 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.316 -3.610 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.765 -4.157 -1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 73 28.243 -5.212 -3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 73 29.734 -4.593 -4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 73 31.048 -5.892 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 73 29.555 -6.517 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 73 28.986 -7.555 -4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 73 30.463 -6.912 -5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 31.141 -8.998 -4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 31.554 -8.126 -3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 30.130 -9.051 -3.055 1.00 0.00 H new ATOM 763 N VAL A 74 26.622 -2.587 -4.502 1.00 0.00 N ATOM 764 CA VAL A 74 25.200 -2.778 -4.771 1.00 0.00 C ATOM 765 C VAL A 74 24.953 -4.114 -5.458 1.00 0.00 C ATOM 766 O VAL A 74 25.765 -4.567 -6.267 1.00 0.00 O ATOM 767 CB VAL A 74 24.684 -1.646 -5.665 1.00 0.00 C ATOM 768 CG1 VAL A 74 24.708 -0.330 -4.888 1.00 0.00 C ATOM 769 CG2 VAL A 74 25.581 -1.524 -6.900 1.00 0.00 C ATOM 0 H VAL A 74 27.169 -2.272 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 74 24.668 -2.769 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 74 23.663 -1.866 -5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 74 24.341 0.475 -5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 74 24.071 -0.416 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 74 25.729 -0.110 -4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.215 -0.719 -7.537 1.00 0.00 H new ATOM 0 HG22 VAL A 74 26.602 -1.304 -6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 74 25.565 -2.462 -7.455 1.00 0.00 H new ATOM 779 N GLY A 75 23.833 -4.749 -5.121 1.00 0.00 N ATOM 780 CA GLY A 75 23.498 -6.041 -5.708 1.00 0.00 C ATOM 781 C GLY A 75 22.112 -6.494 -5.256 1.00 0.00 C ATOM 782 O GLY A 75 21.380 -5.744 -4.596 1.00 0.00 O ATOM 0 H GLY A 75 23.150 -4.394 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.527 -5.971 -6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.242 -6.783 -5.417 1.00 0.00 H new ATOM 786 N ASN A 76 21.749 -7.721 -5.627 1.00 0.00 N ATOM 787 CA ASN A 76 20.444 -8.265 -5.265 1.00 0.00 C ATOM 788 C ASN A 76 20.570 -9.227 -4.087 1.00 0.00 C ATOM 789 O ASN A 76 21.594 -9.888 -3.919 1.00 0.00 O ATOM 790 CB ASN A 76 19.836 -8.996 -6.464 1.00 0.00 C ATOM 791 CG ASN A 76 19.713 -8.045 -7.651 1.00 0.00 C ATOM 792 OD1 ASN A 76 19.167 -6.949 -7.517 1.00 0.00 O ATOM 793 ND2 ASN A 76 20.201 -8.398 -8.810 1.00 0.00 N ATOM 0 H ASN A 76 22.336 -8.352 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 76 19.794 -7.440 -4.974 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.459 -9.848 -6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 76 18.854 -9.390 -6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 76 20.131 -7.765 -9.607 1.00 0.00 H new ATOM 0 HD22 ASN A 76 20.653 -9.306 -8.918 1.00 0.00 H new ATOM 800 N PHE A 77 19.520 -9.299 -3.279 1.00 0.00 N ATOM 801 CA PHE A 77 19.513 -10.182 -2.116 1.00 0.00 C ATOM 802 C PHE A 77 18.104 -10.676 -1.819 1.00 0.00 C ATOM 803 O PHE A 77 17.121 -10.093 -2.279 1.00 0.00 O ATOM 804 CB PHE A 77 20.073 -9.446 -0.900 1.00 0.00 C ATOM 805 CG PHE A 77 19.236 -8.222 -0.626 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.134 -8.304 0.229 1.00 0.00 C ATOM 807 CD2 PHE A 77 19.564 -7.003 -1.233 1.00 0.00 C ATOM 808 CE1 PHE A 77 17.359 -7.166 0.479 1.00 0.00 C ATOM 809 CE2 PHE A 77 18.788 -5.865 -0.982 1.00 0.00 C ATOM 810 CZ PHE A 77 17.685 -5.947 -0.126 1.00 0.00 C ATOM 0 H PHE A 77 18.664 -8.759 -3.405 1.00 0.00 H new ATOM 0 HA PHE A 77 20.141 -11.045 -2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.071 -10.103 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.109 -9.159 -1.080 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.881 -9.244 0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 77 20.415 -6.941 -1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.507 -7.229 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 77 19.041 -4.925 -1.449 1.00 0.00 H new ATOM 0 HZ PHE A 77 17.085 -5.070 0.068 1.00 0.00 H new ATOM 820 N LYS A 78 18.012 -11.765 -1.063 1.00 0.00 N ATOM 821 CA LYS A 78 16.715 -12.337 -0.730 1.00 0.00 C ATOM 822 C LYS A 78 16.091 -11.593 0.447 1.00 0.00 C ATOM 823 O LYS A 78 16.606 -11.629 1.564 1.00 0.00 O ATOM 824 CB LYS A 78 16.876 -13.815 -0.371 1.00 0.00 C ATOM 825 CG LYS A 78 15.651 -14.597 -0.850 1.00 0.00 C ATOM 826 CD LYS A 78 15.739 -14.809 -2.361 1.00 0.00 C ATOM 827 CE LYS A 78 14.575 -15.685 -2.825 1.00 0.00 C ATOM 828 NZ LYS A 78 14.693 -15.934 -4.289 1.00 0.00 N ATOM 0 H LYS A 78 18.812 -12.264 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 78 16.061 -12.241 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.779 -14.215 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.993 -13.927 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.598 -15.559 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.739 -14.054 -0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.712 -13.848 -2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.687 -15.281 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.579 -16.631 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.627 -15.195 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.901 -16.530 -4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.669 -15.028 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.592 -16.419 -4.487 1.00 0.00 H new ATOM 842 N PHE A 79 14.981 -10.916 0.185 1.00 0.00 N ATOM 843 CA PHE A 79 14.291 -10.165 1.225 1.00 0.00 C ATOM 844 C PHE A 79 13.794 -11.100 2.321 1.00 0.00 C ATOM 845 O PHE A 79 13.613 -10.692 3.458 1.00 0.00 O ATOM 846 CB PHE A 79 13.105 -9.403 0.629 1.00 0.00 C ATOM 847 CG PHE A 79 12.168 -10.382 -0.040 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.173 -11.021 0.706 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.295 -10.645 -1.409 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.305 -11.927 0.083 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.430 -11.549 -2.033 1.00 0.00 C ATOM 852 CZ PHE A 79 10.433 -12.191 -1.287 1.00 0.00 C ATOM 0 H PHE A 79 14.541 -10.871 -0.734 1.00 0.00 H new ATOM 0 HA PHE A 79 14.996 -9.455 1.657 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.579 -8.856 1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.457 -8.667 -0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.074 -10.816 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.063 -10.149 -1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.537 -12.422 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.530 -11.752 -3.089 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.764 -12.889 -1.768 1.00 0.00 H new ATOM 862 N ILE A 80 13.557 -12.355 1.966 1.00 0.00 N ATOM 863 CA ILE A 80 13.066 -13.331 2.934 1.00 0.00 C ATOM 864 C ILE A 80 14.038 -13.476 4.103 1.00 0.00 C ATOM 865 O ILE A 80 13.633 -13.768 5.226 1.00 0.00 O ATOM 866 CB ILE A 80 12.900 -14.691 2.253 1.00 0.00 C ATOM 867 CG1 ILE A 80 12.153 -15.642 3.192 1.00 0.00 C ATOM 868 CG2 ILE A 80 14.277 -15.276 1.918 1.00 0.00 C ATOM 869 CD1 ILE A 80 12.012 -17.011 2.524 1.00 0.00 C ATOM 0 H ILE A 80 13.695 -12.721 1.024 1.00 0.00 H new ATOM 0 HA ILE A 80 12.106 -12.981 3.315 1.00 0.00 H new ATOM 0 HB ILE A 80 12.331 -14.566 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.693 -15.739 4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.169 -15.238 3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 80 14.153 -16.244 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 80 14.806 -14.600 1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 80 14.852 -15.401 2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.480 -17.689 3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.454 -16.906 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.001 -17.415 2.310 1.00 0.00 H new ATOM 881 N TYR A 81 15.318 -13.271 3.828 1.00 0.00 N ATOM 882 CA TYR A 81 16.340 -13.377 4.863 1.00 0.00 C ATOM 883 C TYR A 81 16.625 -12.015 5.494 1.00 0.00 C ATOM 884 O TYR A 81 17.530 -11.882 6.325 1.00 0.00 O ATOM 885 CB TYR A 81 17.634 -13.937 4.263 1.00 0.00 C ATOM 886 CG TYR A 81 17.367 -15.313 3.693 1.00 0.00 C ATOM 887 CD1 TYR A 81 17.851 -15.649 2.423 1.00 0.00 C ATOM 888 CD2 TYR A 81 16.635 -16.249 4.431 1.00 0.00 C ATOM 889 CE1 TYR A 81 17.604 -16.920 1.893 1.00 0.00 C ATOM 890 CE2 TYR A 81 16.387 -17.520 3.902 1.00 0.00 C ATOM 891 CZ TYR A 81 16.871 -17.856 2.633 1.00 0.00 C ATOM 892 OH TYR A 81 16.627 -19.109 2.110 1.00 0.00 O ATOM 0 H TYR A 81 15.674 -13.032 2.903 1.00 0.00 H new ATOM 0 HA TYR A 81 15.969 -14.050 5.636 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.003 -13.273 3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.409 -13.992 5.028 1.00 0.00 H new ATOM 0 HD1 TYR A 81 18.415 -14.927 1.852 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.261 -15.990 5.410 1.00 0.00 H new ATOM 0 HE1 TYR A 81 17.978 -17.179 0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.822 -18.242 4.473 1.00 0.00 H new ATOM 0 HH TYR A 81 16.106 -19.636 2.752 1.00 0.00 H new ATOM 902 N VAL A 82 15.848 -11.003 5.099 1.00 0.00 N ATOM 903 CA VAL A 82 16.029 -9.665 5.629 1.00 0.00 C ATOM 904 C VAL A 82 14.692 -9.078 6.081 1.00 0.00 C ATOM 905 O VAL A 82 13.632 -9.477 5.606 1.00 0.00 O ATOM 906 CB VAL A 82 16.642 -8.763 4.553 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.531 -8.000 3.824 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.600 -7.768 5.208 1.00 0.00 C ATOM 0 H VAL A 82 15.094 -11.092 4.418 1.00 0.00 H new ATOM 0 HA VAL A 82 16.697 -9.721 6.489 1.00 0.00 H new ATOM 0 HB VAL A 82 17.188 -9.376 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.971 -7.359 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.850 -8.710 3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.981 -7.387 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 82 18.037 -7.126 4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 82 17.054 -7.157 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.393 -8.311 5.722 1.00 0.00 H new ATOM 918 N ASP A 83 14.751 -8.118 6.992 1.00 0.00 N ATOM 919 CA ASP A 83 13.540 -7.474 7.488 1.00 0.00 C ATOM 920 C ASP A 83 13.615 -5.965 7.278 1.00 0.00 C ATOM 921 O ASP A 83 14.658 -5.359 7.470 1.00 0.00 O ATOM 922 CB ASP A 83 13.353 -7.785 8.972 1.00 0.00 C ATOM 923 CG ASP A 83 13.121 -9.280 9.162 1.00 0.00 C ATOM 924 OD1 ASP A 83 12.674 -9.915 8.221 1.00 0.00 O ATOM 925 OD2 ASP A 83 13.404 -9.770 10.242 1.00 0.00 O ATOM 0 H ASP A 83 15.617 -7.768 7.402 1.00 0.00 H new ATOM 0 HA ASP A 83 12.687 -7.862 6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.233 -7.470 9.532 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.506 -7.223 9.367 1.00 0.00 H new ATOM 930 N VAL A 84 12.502 -5.364 6.889 1.00 0.00 N ATOM 931 CA VAL A 84 12.467 -3.923 6.660 1.00 0.00 C ATOM 932 C VAL A 84 11.997 -3.187 7.915 1.00 0.00 C ATOM 933 O VAL A 84 11.122 -3.665 8.640 1.00 0.00 O ATOM 934 CB VAL A 84 11.523 -3.610 5.494 1.00 0.00 C ATOM 935 CG1 VAL A 84 11.484 -4.801 4.534 1.00 0.00 C ATOM 936 CG2 VAL A 84 10.115 -3.340 6.025 1.00 0.00 C ATOM 0 H VAL A 84 11.617 -5.844 6.726 1.00 0.00 H new ATOM 0 HA VAL A 84 13.474 -3.585 6.417 1.00 0.00 H new ATOM 0 HB VAL A 84 11.885 -2.727 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.813 -4.578 3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.486 -4.991 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.126 -5.684 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.448 -3.118 5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.752 -4.220 6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.140 -2.489 6.706 1.00 0.00 H new ATOM 946 N ILE A 85 12.585 -2.025 8.165 1.00 0.00 N ATOM 947 CA ILE A 85 12.219 -1.229 9.331 1.00 0.00 C ATOM 948 C ILE A 85 11.901 0.206 8.929 1.00 0.00 C ATOM 949 O ILE A 85 12.321 0.670 7.871 1.00 0.00 O ATOM 950 CB ILE A 85 13.361 -1.246 10.347 1.00 0.00 C ATOM 951 CG1 ILE A 85 14.625 -0.677 9.697 1.00 0.00 C ATOM 952 CG2 ILE A 85 13.626 -2.684 10.809 1.00 0.00 C ATOM 953 CD1 ILE A 85 15.743 -0.593 10.738 1.00 0.00 C ATOM 0 H ILE A 85 13.313 -1.614 7.581 1.00 0.00 H new ATOM 0 HA ILE A 85 11.327 -1.664 9.782 1.00 0.00 H new ATOM 0 HB ILE A 85 13.086 -0.639 11.209 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.935 -1.310 8.866 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.421 0.312 9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.441 -2.689 11.533 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.726 -3.089 11.272 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.899 -3.297 9.950 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.642 -0.188 10.274 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.431 0.058 11.555 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.953 -1.589 11.128 1.00 0.00 H new ATOM 965 N SER A 86 11.158 0.903 9.783 1.00 0.00 N ATOM 966 CA SER A 86 10.792 2.285 9.506 1.00 0.00 C ATOM 967 C SER A 86 11.586 3.239 10.394 1.00 0.00 C ATOM 968 O SER A 86 12.125 2.839 11.426 1.00 0.00 O ATOM 969 CB SER A 86 9.297 2.486 9.748 1.00 0.00 C ATOM 970 OG SER A 86 9.012 2.285 11.127 1.00 0.00 O ATOM 0 H SER A 86 10.801 0.536 10.665 1.00 0.00 H new ATOM 0 HA SER A 86 11.024 2.501 8.463 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.000 3.490 9.446 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.722 1.787 9.140 1.00 0.00 H new ATOM 0 HG SER A 86 8.054 2.415 11.285 1.00 0.00 H new ATOM 976 N GLU A 87 11.652 4.502 9.986 1.00 0.00 N ATOM 977 CA GLU A 87 12.382 5.504 10.753 1.00 0.00 C ATOM 978 C GLU A 87 11.975 6.909 10.323 1.00 0.00 C ATOM 979 O GLU A 87 11.330 7.585 11.107 1.00 0.00 O ATOM 980 CB GLU A 87 13.887 5.322 10.550 1.00 0.00 C ATOM 981 CG GLU A 87 14.586 5.288 11.910 1.00 0.00 C ATOM 982 CD GLU A 87 16.083 5.066 11.723 1.00 0.00 C ATOM 983 OE1 GLU A 87 16.440 4.112 11.051 1.00 0.00 O ATOM 984 OE2 GLU A 87 16.849 5.853 12.253 1.00 0.00 O ATOM 0 H GLU A 87 11.213 4.854 9.135 1.00 0.00 H new ATOM 0 HA GLU A 87 12.140 5.375 11.808 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.082 4.398 10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.284 6.137 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.413 6.224 12.440 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.166 4.491 12.524 1.00 0.00 H new