USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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 79 GLN : amide:sc= 0 X(o=-0.5,f=-0.47) USER MOD Set 1.2: A 81 CYS SG : rot 180:sc= -0.496 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.471 F(o=-1.5,f=-0.47) USER MOD Single : A 22 SER OG : rot 180:sc= -0.156 USER MOD Single : A 28 ASN : amide:sc= -0.12 K(o=-0.12,f=-2!) USER MOD Single : A 29 GLN : amide:sc= -1.85! C(o=-1.8!,f=-1.9!) USER MOD Single : A 34 THR OG1 : rot -125:sc= -2.25! USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.0592 USER MOD Single : A 40 SER OG : rot 140:sc= -0.864 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.455 K(o=-0.46,f=-2!) USER MOD Single : A 48 CYS SG : rot -46:sc= 0.00142 USER MOD Single : A 61 THR OG1 : rot -160:sc= 0 USER MOD Single : A 63 SER OG : rot -48:sc= 0.305 USER MOD Single : A 64 MET CE :methyl -159:sc= -7.57! (180deg=-8.34!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -8.52! C(o=-8.5!,f=-8.1!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.268 F(o=-1.7,f=-0.27) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -14.401 2.962 -3.292 1.00 0.00 N ATOM 60 CA GLY A 7 -13.858 2.051 -4.283 1.00 0.00 C ATOM 61 C GLY A 7 -13.032 0.943 -3.661 1.00 0.00 C ATOM 62 O GLY A 7 -11.872 1.149 -3.305 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.675 1.613 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.240 2.610 -4.986 1.00 0.00 H new ATOM 66 N ASN A 8 -13.631 -0.236 -3.527 1.00 0.00 N ATOM 67 CA ASN A 8 -12.944 -1.381 -2.942 1.00 0.00 C ATOM 68 C ASN A 8 -11.992 -2.018 -3.950 1.00 0.00 C ATOM 69 O ASN A 8 -12.365 -2.277 -5.094 1.00 0.00 O ATOM 70 CB ASN A 8 -13.958 -2.418 -2.455 1.00 0.00 C ATOM 71 CG ASN A 8 -14.822 -2.954 -3.580 1.00 0.00 C ATOM 72 OD1 ASN A 8 -14.283 -3.901 -4.339 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 -15.960 -2.522 -3.765 1.00 0.00 N flip ATOM 0 H ASN A 8 -14.591 -0.423 -3.816 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.361 -1.027 -2.092 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.429 -3.245 -1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.595 -1.969 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -16.334 -1.793 -3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.529 -2.893 -4.526 1.00 0.00 H new ATOM 80 N VAL A 9 -10.761 -2.270 -3.516 1.00 0.00 N ATOM 81 CA VAL A 9 -9.756 -2.879 -4.380 1.00 0.00 C ATOM 82 C VAL A 9 -8.894 -3.869 -3.605 1.00 0.00 C ATOM 83 O VAL A 9 -8.112 -3.482 -2.737 1.00 0.00 O ATOM 84 CB VAL A 9 -8.846 -1.814 -5.019 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.768 -2.471 -5.868 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.669 -0.839 -5.849 1.00 0.00 C ATOM 0 H VAL A 9 -10.436 -2.062 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.293 -3.407 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.356 -1.255 -4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.135 -1.702 -6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.161 -3.125 -5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.235 -3.057 -6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.010 -0.093 -6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.188 -1.382 -6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.399 -0.343 -5.210 1.00 0.00 H new ATOM 96 N VAL A 10 -9.042 -5.151 -3.926 1.00 0.00 N ATOM 97 CA VAL A 10 -8.275 -6.199 -3.262 1.00 0.00 C ATOM 98 C VAL A 10 -7.344 -6.903 -4.242 1.00 0.00 C ATOM 99 O VAL A 10 -7.771 -7.763 -5.014 1.00 0.00 O ATOM 100 CB VAL A 10 -9.200 -7.243 -2.609 1.00 0.00 C ATOM 101 CG1 VAL A 10 -8.453 -8.023 -1.538 1.00 0.00 C ATOM 102 CG2 VAL A 10 -10.435 -6.571 -2.028 1.00 0.00 C ATOM 0 H VAL A 10 -9.686 -5.489 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.682 -5.714 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.524 -7.946 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.123 -8.756 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.603 -8.536 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.097 -7.337 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.077 -7.323 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.133 -5.845 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.981 -6.063 -2.823 1.00 0.00 H new ATOM 112 N LEU A 11 -6.068 -6.534 -4.207 1.00 0.00 N ATOM 113 CA LEU A 11 -5.074 -7.131 -5.091 1.00 0.00 C ATOM 114 C LEU A 11 -4.591 -8.470 -4.543 1.00 0.00 C ATOM 115 O LEU A 11 -4.252 -8.602 -3.367 1.00 0.00 O ATOM 116 CB LEU A 11 -3.887 -6.183 -5.271 1.00 0.00 C ATOM 117 CG LEU A 11 -4.232 -4.710 -5.498 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.984 -3.847 -5.395 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.903 -4.522 -6.850 1.00 0.00 C ATOM 0 H LEU A 11 -5.698 -5.824 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.543 -7.304 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.253 -6.255 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.295 -6.531 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.930 -4.396 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.249 -2.803 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.545 -3.958 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.262 -4.161 -6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.141 -3.468 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.229 -4.853 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.820 -5.110 -6.886 1.00 0.00 H new ATOM 131 N PRO A 12 -4.557 -9.489 -5.415 1.00 0.00 N ATOM 132 CA PRO A 12 -4.114 -10.836 -5.042 1.00 0.00 C ATOM 133 C PRO A 12 -2.617 -10.897 -4.761 1.00 0.00 C ATOM 134 O PRO A 12 -1.799 -10.622 -5.638 1.00 0.00 O ATOM 135 CB PRO A 12 -4.462 -11.677 -6.273 1.00 0.00 C ATOM 136 CG PRO A 12 -4.465 -10.709 -7.405 1.00 0.00 C ATOM 137 CD PRO A 12 -4.946 -9.404 -6.833 1.00 0.00 C ATOM 0 HA PRO A 12 -4.589 -11.182 -4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.730 -12.469 -6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.433 -12.159 -6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.467 -10.604 -7.831 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.120 -11.049 -8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.479 -8.552 -7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.024 -9.288 -6.948 1.00 0.00 H new ATOM 145 N GLY A 13 -2.264 -11.259 -3.532 1.00 0.00 N ATOM 146 CA GLY A 13 -0.865 -11.350 -3.158 1.00 0.00 C ATOM 147 C GLY A 13 -0.420 -12.780 -2.919 1.00 0.00 C ATOM 148 O GLY A 13 -0.979 -13.727 -3.472 1.00 0.00 O ATOM 0 H GLY A 13 -2.922 -11.491 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.253 -10.909 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.695 -10.764 -2.255 1.00 0.00 H new ATOM 152 N PRO A 14 0.611 -12.950 -2.078 1.00 0.00 N ATOM 153 CA PRO A 14 1.285 -11.830 -1.415 1.00 0.00 C ATOM 154 C PRO A 14 2.093 -10.980 -2.389 1.00 0.00 C ATOM 155 O PRO A 14 2.169 -11.286 -3.579 1.00 0.00 O ATOM 156 CB PRO A 14 2.212 -12.519 -0.410 1.00 0.00 C ATOM 157 CG PRO A 14 2.461 -13.869 -0.988 1.00 0.00 C ATOM 158 CD PRO A 14 1.199 -14.250 -1.711 1.00 0.00 C ATOM 0 HA PRO A 14 0.575 -11.140 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.142 -11.964 -0.285 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.747 -12.589 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.311 -13.851 -1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.696 -14.591 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.408 -14.859 -2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.530 -14.828 -1.074 1.00 0.00 H new ATOM 166 N ALA A 15 2.696 -9.913 -1.877 1.00 0.00 N ATOM 167 CA ALA A 15 3.501 -9.020 -2.702 1.00 0.00 C ATOM 168 C ALA A 15 4.527 -9.801 -3.516 1.00 0.00 C ATOM 169 O ALA A 15 4.764 -10.988 -3.287 1.00 0.00 O ATOM 170 CB ALA A 15 4.193 -7.980 -1.834 1.00 0.00 C ATOM 0 H ALA A 15 2.643 -9.645 -0.894 1.00 0.00 H new ATOM 0 HA ALA A 15 2.835 -8.510 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.790 -7.320 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.444 -7.394 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.841 -8.480 -1.114 1.00 0.00 H new ATOM 176 N PRO A 16 5.151 -9.123 -4.490 1.00 0.00 N ATOM 177 CA PRO A 16 4.877 -7.711 -4.773 1.00 0.00 C ATOM 178 C PRO A 16 3.493 -7.499 -5.377 1.00 0.00 C ATOM 179 O PRO A 16 2.753 -8.455 -5.608 1.00 0.00 O ATOM 180 CB PRO A 16 5.965 -7.333 -5.781 1.00 0.00 C ATOM 181 CG PRO A 16 6.332 -8.617 -6.441 1.00 0.00 C ATOM 182 CD PRO A 16 6.172 -9.683 -5.392 1.00 0.00 C ATOM 0 HA PRO A 16 4.887 -7.104 -3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.598 -6.606 -6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.825 -6.883 -5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.688 -8.813 -7.298 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.356 -8.586 -6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.849 -10.629 -5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.109 -9.876 -4.869 1.00 0.00 H new ATOM 190 N TRP A 17 3.151 -6.241 -5.631 1.00 0.00 N ATOM 191 CA TRP A 17 1.855 -5.904 -6.210 1.00 0.00 C ATOM 192 C TRP A 17 2.017 -5.337 -7.616 1.00 0.00 C ATOM 193 O TRP A 17 1.406 -5.824 -8.566 1.00 0.00 O ATOM 194 CB TRP A 17 1.123 -4.896 -5.322 1.00 0.00 C ATOM 195 CG TRP A 17 1.054 -5.313 -3.883 1.00 0.00 C ATOM 196 CD1 TRP A 17 1.698 -4.729 -2.830 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.302 -6.404 -3.342 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.390 -5.391 -1.666 1.00 0.00 N ATOM 199 CE2 TRP A 17 0.535 -6.422 -1.953 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.548 -7.365 -3.895 1.00 0.00 C ATOM 201 CZ2 TRP A 17 -0.050 -7.365 -1.113 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -1.127 -8.301 -3.059 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.877 -8.295 -1.681 1.00 0.00 C ATOM 0 H TRP A 17 3.752 -5.438 -5.445 1.00 0.00 H new ATOM 0 HA TRP A 17 1.265 -6.818 -6.273 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.625 -3.931 -5.390 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.111 -4.756 -5.701 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.353 -3.873 -2.902 1.00 0.00 H new ATOM 0 HE1 TRP A 17 1.741 -5.153 -0.738 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.749 -7.376 -4.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.142 -7.363 -0.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.784 -9.050 -3.476 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.346 -9.039 -1.055 1.00 0.00 H new ATOM 214 N GLY A 18 2.846 -4.305 -7.741 1.00 0.00 N ATOM 215 CA GLY A 18 3.074 -3.690 -9.036 1.00 0.00 C ATOM 216 C GLY A 18 2.492 -2.293 -9.124 1.00 0.00 C ATOM 217 O GLY A 18 2.000 -1.882 -10.175 1.00 0.00 O ATOM 0 H GLY A 18 3.363 -3.884 -6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.146 -3.647 -9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.633 -4.314 -9.814 1.00 0.00 H new ATOM 221 N PHE A 19 2.545 -1.560 -8.016 1.00 0.00 N ATOM 222 CA PHE A 19 2.016 -0.202 -7.971 1.00 0.00 C ATOM 223 C PHE A 19 2.846 0.674 -7.037 1.00 0.00 C ATOM 224 O PHE A 19 3.273 0.232 -5.970 1.00 0.00 O ATOM 225 CB PHE A 19 0.557 -0.215 -7.514 1.00 0.00 C ATOM 226 CG PHE A 19 0.397 -0.222 -6.020 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.406 -1.414 -5.315 1.00 0.00 C ATOM 228 CD2 PHE A 19 0.237 0.964 -5.322 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.258 -1.423 -3.940 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.089 0.962 -3.948 1.00 0.00 C ATOM 231 CZ PHE A 19 0.101 -0.234 -3.256 1.00 0.00 C ATOM 0 H PHE A 19 2.949 -1.884 -7.137 1.00 0.00 H new ATOM 0 HA PHE A 19 2.070 0.216 -8.976 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.049 0.659 -7.922 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.062 -1.093 -7.929 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.530 -2.347 -5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.228 1.901 -5.858 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.265 -2.359 -3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.036 1.894 -3.416 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.012 -0.239 -2.182 1.00 0.00 H new ATOM 241 N ARG A 20 3.071 1.918 -7.447 1.00 0.00 N ATOM 242 CA ARG A 20 3.851 2.856 -6.649 1.00 0.00 C ATOM 243 C ARG A 20 2.938 3.801 -5.873 1.00 0.00 C ATOM 244 O ARG A 20 1.717 3.773 -6.035 1.00 0.00 O ATOM 245 CB ARG A 20 4.793 3.662 -7.546 1.00 0.00 C ATOM 246 CG ARG A 20 5.637 2.802 -8.472 1.00 0.00 C ATOM 247 CD ARG A 20 6.600 1.922 -7.690 1.00 0.00 C ATOM 248 NE ARG A 20 7.854 2.610 -7.395 1.00 0.00 N ATOM 249 CZ ARG A 20 8.041 3.371 -6.323 1.00 0.00 C ATOM 250 NH1 ARG A 20 7.060 3.540 -5.447 1.00 0.00 N ATOM 251 NH2 ARG A 20 9.211 3.964 -6.124 1.00 0.00 N ATOM 0 H ARG A 20 2.724 2.300 -8.327 1.00 0.00 H new ATOM 0 HA ARG A 20 4.442 2.282 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.204 4.357 -8.145 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.453 4.262 -6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.986 2.177 -9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.198 3.441 -9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.130 1.610 -6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.809 1.017 -8.260 1.00 0.00 H new ATOM 0 HE ARG A 20 8.629 2.500 -8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.159 3.085 -5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.206 4.125 -4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.968 3.836 -6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.353 4.548 -5.300 1.00 0.00 H new ATOM 265 N LEU A 21 3.537 4.634 -5.030 1.00 0.00 N ATOM 266 CA LEU A 21 2.777 5.588 -4.228 1.00 0.00 C ATOM 267 C LEU A 21 3.384 6.984 -4.322 1.00 0.00 C ATOM 268 O LEU A 21 4.581 7.136 -4.567 1.00 0.00 O ATOM 269 CB LEU A 21 2.734 5.135 -2.768 1.00 0.00 C ATOM 270 CG LEU A 21 3.942 4.337 -2.276 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.216 5.156 -2.420 1.00 0.00 C ATOM 272 CD2 LEU A 21 3.744 3.905 -0.831 1.00 0.00 C ATOM 0 H LEU A 21 4.546 4.669 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 21 1.761 5.627 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.626 6.018 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.840 4.529 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 21 4.037 3.442 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.066 4.573 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.366 5.415 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.131 6.068 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.614 3.338 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.622 4.786 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.854 3.280 -0.757 1.00 0.00 H new ATOM 284 N SER A 22 2.552 8.000 -4.123 1.00 0.00 N ATOM 285 CA SER A 22 3.006 9.384 -4.187 1.00 0.00 C ATOM 286 C SER A 22 2.458 10.190 -3.013 1.00 0.00 C ATOM 287 O SER A 22 1.721 9.669 -2.177 1.00 0.00 O ATOM 288 CB SER A 22 2.573 10.026 -5.506 1.00 0.00 C ATOM 289 OG SER A 22 3.507 11.005 -5.928 1.00 0.00 O ATOM 0 H SER A 22 1.559 7.891 -3.916 1.00 0.00 H new ATOM 0 HA SER A 22 4.095 9.385 -4.131 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.475 9.258 -6.273 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.591 10.484 -5.386 1.00 0.00 H new ATOM 0 HG SER A 22 3.208 11.399 -6.774 1.00 0.00 H new ATOM 295 N GLY A 23 2.825 11.467 -2.957 1.00 0.00 N ATOM 296 CA GLY A 23 2.362 12.326 -1.882 1.00 0.00 C ATOM 297 C GLY A 23 2.585 11.713 -0.514 1.00 0.00 C ATOM 298 O GLY A 23 3.435 10.840 -0.348 1.00 0.00 O ATOM 0 H GLY A 23 3.435 11.922 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.881 13.283 -1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.300 12.531 -2.016 1.00 0.00 H new ATOM 302 N GLY A 24 1.819 12.173 0.471 1.00 0.00 N ATOM 303 CA GLY A 24 1.953 11.655 1.820 1.00 0.00 C ATOM 304 C GLY A 24 1.601 12.684 2.874 1.00 0.00 C ATOM 305 O GLY A 24 1.981 13.851 2.764 1.00 0.00 O ATOM 0 H GLY A 24 1.108 12.895 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.308 10.784 1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.977 11.316 1.976 1.00 0.00 H new ATOM 309 N ILE A 25 0.871 12.254 3.898 1.00 0.00 N ATOM 310 CA ILE A 25 0.467 13.148 4.977 1.00 0.00 C ATOM 311 C ILE A 25 1.651 13.960 5.490 1.00 0.00 C ATOM 312 O ILE A 25 1.475 14.995 6.133 1.00 0.00 O ATOM 313 CB ILE A 25 -0.154 12.369 6.151 1.00 0.00 C ATOM 314 CG1 ILE A 25 0.851 11.359 6.709 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.428 11.666 5.706 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.666 11.075 8.184 1.00 0.00 C ATOM 0 H ILE A 25 0.547 11.292 4.003 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.282 13.823 4.563 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.409 13.075 6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.762 10.425 6.153 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.861 11.734 6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.855 11.120 6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.146 12.405 5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.197 10.969 4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.412 10.351 8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.784 11.999 8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.332 10.670 8.354 1.00 0.00 H new ATOM 328 N ASP A 26 2.858 13.485 5.200 1.00 0.00 N ATOM 329 CA ASP A 26 4.072 14.169 5.630 1.00 0.00 C ATOM 330 C ASP A 26 4.435 15.291 4.662 1.00 0.00 C ATOM 331 O ASP A 26 4.963 16.327 5.067 1.00 0.00 O ATOM 332 CB ASP A 26 5.231 13.177 5.738 1.00 0.00 C ATOM 333 CG ASP A 26 6.563 13.864 5.964 1.00 0.00 C ATOM 334 OD1 ASP A 26 7.044 14.547 5.035 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.124 13.720 7.070 1.00 0.00 O ATOM 0 H ASP A 26 3.021 12.629 4.669 1.00 0.00 H new ATOM 0 HA ASP A 26 3.885 14.606 6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.038 12.486 6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.282 12.582 4.826 1.00 0.00 H new ATOM 340 N PHE A 27 4.150 15.077 3.382 1.00 0.00 N ATOM 341 CA PHE A 27 4.448 16.070 2.356 1.00 0.00 C ATOM 342 C PHE A 27 3.226 16.936 2.066 1.00 0.00 C ATOM 343 O PHE A 27 3.157 17.605 1.035 1.00 0.00 O ATOM 344 CB PHE A 27 4.917 15.382 1.072 1.00 0.00 C ATOM 345 CG PHE A 27 6.156 14.554 1.254 1.00 0.00 C ATOM 346 CD1 PHE A 27 6.080 13.274 1.779 1.00 0.00 C ATOM 347 CD2 PHE A 27 7.399 15.055 0.900 1.00 0.00 C ATOM 348 CE1 PHE A 27 7.219 12.509 1.947 1.00 0.00 C ATOM 349 CE2 PHE A 27 8.541 14.295 1.066 1.00 0.00 C ATOM 350 CZ PHE A 27 8.451 13.021 1.591 1.00 0.00 C ATOM 0 H PHE A 27 3.713 14.225 3.030 1.00 0.00 H new ATOM 0 HA PHE A 27 5.246 16.713 2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.116 14.745 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.104 16.140 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.119 12.869 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.476 16.051 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.145 11.512 2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.503 14.697 0.785 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.343 12.426 1.723 1.00 0.00 H new ATOM 360 N ASN A 28 2.264 16.917 2.982 1.00 0.00 N ATOM 361 CA ASN A 28 1.043 17.700 2.824 1.00 0.00 C ATOM 362 C ASN A 28 0.448 17.506 1.433 1.00 0.00 C ATOM 363 O ASN A 28 0.072 18.471 0.768 1.00 0.00 O ATOM 364 CB ASN A 28 1.328 19.183 3.067 1.00 0.00 C ATOM 365 CG ASN A 28 1.321 19.540 4.541 1.00 0.00 C ATOM 366 OD1 ASN A 28 0.770 18.810 5.365 1.00 0.00 O ATOM 367 ND2 ASN A 28 1.934 20.668 4.879 1.00 0.00 N ATOM 0 H ASN A 28 2.306 16.369 3.841 1.00 0.00 H new ATOM 0 HA ASN A 28 0.320 17.351 3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.297 19.439 2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.581 19.783 2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.961 20.961 5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.378 21.242 4.162 1.00 0.00 H new ATOM 374 N GLN A 29 0.366 16.252 1.000 1.00 0.00 N ATOM 375 CA GLN A 29 -0.183 15.931 -0.312 1.00 0.00 C ATOM 376 C GLN A 29 -0.940 14.608 -0.277 1.00 0.00 C ATOM 377 O GLN A 29 -0.723 13.763 0.592 1.00 0.00 O ATOM 378 CB GLN A 29 0.935 15.866 -1.354 1.00 0.00 C ATOM 379 CG GLN A 29 1.242 17.206 -2.003 1.00 0.00 C ATOM 380 CD GLN A 29 0.389 17.469 -3.228 1.00 0.00 C ATOM 381 OE1 GLN A 29 -0.620 18.172 -3.157 1.00 0.00 O ATOM 382 NE2 GLN A 29 0.790 16.906 -4.362 1.00 0.00 N ATOM 0 H GLN A 29 0.673 15.442 1.539 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.882 16.720 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.840 15.486 -0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.657 15.152 -2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.083 18.003 -1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.295 17.237 -2.284 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.632 16.331 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.256 17.049 -5.219 1.00 0.00 H new ATOM 391 N PRO A 30 -1.851 14.421 -1.244 1.00 0.00 N ATOM 392 CA PRO A 30 -2.659 13.202 -1.345 1.00 0.00 C ATOM 393 C PRO A 30 -1.830 11.990 -1.757 1.00 0.00 C ATOM 394 O PRO A 30 -0.929 12.096 -2.590 1.00 0.00 O ATOM 395 CB PRO A 30 -3.682 13.544 -2.431 1.00 0.00 C ATOM 396 CG PRO A 30 -3.021 14.592 -3.258 1.00 0.00 C ATOM 397 CD PRO A 30 -2.163 15.386 -2.312 1.00 0.00 C ATOM 0 HA PRO A 30 -3.106 12.929 -0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.933 12.668 -3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.612 13.911 -1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.419 14.143 -4.048 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.760 15.230 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.259 15.752 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.691 16.257 -1.925 1.00 0.00 H new ATOM 405 N LEU A 31 -2.141 10.840 -1.169 1.00 0.00 N ATOM 406 CA LEU A 31 -1.425 9.607 -1.476 1.00 0.00 C ATOM 407 C LEU A 31 -1.973 8.959 -2.743 1.00 0.00 C ATOM 408 O LEU A 31 -2.961 8.226 -2.701 1.00 0.00 O ATOM 409 CB LEU A 31 -1.528 8.629 -0.304 1.00 0.00 C ATOM 410 CG LEU A 31 -0.562 8.868 0.857 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.859 7.914 2.003 1.00 0.00 C ATOM 412 CD2 LEU A 31 0.879 8.715 0.392 1.00 0.00 C ATOM 0 H LEU A 31 -2.884 10.736 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.377 9.857 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.546 8.664 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.366 7.620 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.700 9.888 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.162 8.099 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.879 8.073 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.750 6.886 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.553 8.889 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.032 7.707 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.086 9.440 -0.395 1.00 0.00 H new ATOM 424 N VAL A 32 -1.323 9.233 -3.870 1.00 0.00 N ATOM 425 CA VAL A 32 -1.744 8.674 -5.150 1.00 0.00 C ATOM 426 C VAL A 32 -0.630 7.845 -5.780 1.00 0.00 C ATOM 427 O VAL A 32 0.551 8.065 -5.508 1.00 0.00 O ATOM 428 CB VAL A 32 -2.165 9.781 -6.134 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.406 10.501 -5.629 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.022 10.761 -6.354 1.00 0.00 C ATOM 0 H VAL A 32 -0.504 9.838 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.602 8.032 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.407 9.319 -7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.688 11.280 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.224 9.788 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.196 10.952 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.337 11.537 -7.052 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.747 11.218 -5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.162 10.231 -6.764 1.00 0.00 H new ATOM 440 N ILE A 33 -1.014 6.893 -6.623 1.00 0.00 N ATOM 441 CA ILE A 33 -0.047 6.032 -7.293 1.00 0.00 C ATOM 442 C ILE A 33 0.893 6.845 -8.177 1.00 0.00 C ATOM 443 O ILE A 33 0.490 7.836 -8.785 1.00 0.00 O ATOM 444 CB ILE A 33 -0.747 4.964 -8.154 1.00 0.00 C ATOM 445 CG1 ILE A 33 -1.499 3.972 -7.264 1.00 0.00 C ATOM 446 CG2 ILE A 33 0.267 4.238 -9.025 1.00 0.00 C ATOM 447 CD1 ILE A 33 -2.344 2.985 -8.039 1.00 0.00 C ATOM 0 H ILE A 33 -1.987 6.698 -6.858 1.00 0.00 H new ATOM 0 HA ILE A 33 0.530 5.537 -6.512 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.468 5.459 -8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.779 3.423 -6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.139 4.526 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.243 3.486 -9.628 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.762 4.954 -9.681 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.009 3.753 -8.392 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.848 2.313 -7.344 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.087 3.525 -8.626 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.706 2.405 -8.706 1.00 0.00 H new ATOM 459 N THR A 34 2.150 6.417 -8.244 1.00 0.00 N ATOM 460 CA THR A 34 3.149 7.104 -9.053 1.00 0.00 C ATOM 461 C THR A 34 3.478 6.309 -10.312 1.00 0.00 C ATOM 462 O THR A 34 3.948 6.867 -11.304 1.00 0.00 O ATOM 463 CB THR A 34 4.446 7.347 -8.259 1.00 0.00 C ATOM 464 OG1 THR A 34 4.618 6.319 -7.276 1.00 0.00 O ATOM 465 CG2 THR A 34 4.417 8.707 -7.578 1.00 0.00 C ATOM 0 H THR A 34 2.500 5.598 -7.748 1.00 0.00 H new ATOM 0 HA THR A 34 2.720 8.065 -9.335 1.00 0.00 H new ATOM 0 HB THR A 34 5.283 7.326 -8.957 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.718 6.727 -6.390 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.343 8.856 -7.023 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.315 9.489 -8.331 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.572 8.752 -6.891 1.00 0.00 H new ATOM 473 N ARG A 35 3.229 5.005 -10.264 1.00 0.00 N ATOM 474 CA ARG A 35 3.499 4.134 -11.401 1.00 0.00 C ATOM 475 C ARG A 35 2.772 2.801 -11.250 1.00 0.00 C ATOM 476 O ARG A 35 2.399 2.408 -10.145 1.00 0.00 O ATOM 477 CB ARG A 35 5.004 3.892 -11.539 1.00 0.00 C ATOM 478 CG ARG A 35 5.442 3.574 -12.959 1.00 0.00 C ATOM 479 CD ARG A 35 5.324 4.789 -13.865 1.00 0.00 C ATOM 480 NE ARG A 35 5.959 4.570 -15.162 1.00 0.00 N ATOM 481 CZ ARG A 35 7.261 4.719 -15.377 1.00 0.00 C ATOM 482 NH1 ARG A 35 8.063 5.085 -14.386 1.00 0.00 N ATOM 483 NH2 ARG A 35 7.764 4.500 -16.585 1.00 0.00 N ATOM 0 H ARG A 35 2.841 4.528 -9.450 1.00 0.00 H new ATOM 0 HA ARG A 35 3.132 4.629 -12.300 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.539 4.776 -11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.292 3.068 -10.886 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.474 3.223 -12.952 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.832 2.763 -13.356 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.271 5.030 -14.013 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.782 5.650 -13.378 1.00 0.00 H new ATOM 0 HE ARG A 35 5.370 4.287 -15.945 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.680 5.253 -13.456 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.063 5.199 -14.554 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.151 4.217 -17.349 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.764 4.615 -16.749 1.00 0.00 H new ATOM 497 N ILE A 36 2.573 2.111 -12.369 1.00 0.00 N ATOM 498 CA ILE A 36 1.891 0.823 -12.360 1.00 0.00 C ATOM 499 C ILE A 36 2.525 -0.141 -13.356 1.00 0.00 C ATOM 500 O ILE A 36 2.982 0.263 -14.426 1.00 0.00 O ATOM 501 CB ILE A 36 0.395 0.976 -12.693 1.00 0.00 C ATOM 502 CG1 ILE A 36 -0.316 1.767 -11.592 1.00 0.00 C ATOM 503 CG2 ILE A 36 -0.250 -0.390 -12.873 1.00 0.00 C ATOM 504 CD1 ILE A 36 -0.246 1.107 -10.233 1.00 0.00 C ATOM 0 H ILE A 36 2.874 2.423 -13.292 1.00 0.00 H new ATOM 0 HA ILE A 36 1.992 0.420 -11.352 1.00 0.00 H new ATOM 0 HB ILE A 36 0.300 1.526 -13.629 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.126 2.761 -11.527 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.362 1.900 -11.869 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.307 -0.265 -13.108 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.243 -0.920 -13.688 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.148 -0.965 -11.952 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.770 1.723 -9.502 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.714 0.124 -10.282 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.797 0.998 -9.935 1.00 0.00 H new ATOM 516 N THR A 37 2.549 -1.422 -12.999 1.00 0.00 N ATOM 517 CA THR A 37 3.126 -2.445 -13.861 1.00 0.00 C ATOM 518 C THR A 37 2.150 -2.856 -14.957 1.00 0.00 C ATOM 519 O THR A 37 0.997 -3.201 -14.698 1.00 0.00 O ATOM 520 CB THR A 37 3.531 -3.695 -13.056 1.00 0.00 C ATOM 521 OG1 THR A 37 4.167 -3.305 -11.833 1.00 0.00 O ATOM 522 CG2 THR A 37 4.470 -4.578 -13.863 1.00 0.00 C ATOM 0 H THR A 37 2.175 -1.775 -12.118 1.00 0.00 H new ATOM 0 HA THR A 37 4.016 -2.009 -14.315 1.00 0.00 H new ATOM 0 HB THR A 37 2.629 -4.263 -12.831 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.561 -4.093 -11.403 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.742 -5.454 -13.274 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.972 -4.897 -14.779 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.370 -4.017 -14.116 1.00 0.00 H new ATOM 530 N PRO A 38 2.620 -2.818 -16.213 1.00 0.00 N ATOM 531 CA PRO A 38 1.804 -3.185 -17.375 1.00 0.00 C ATOM 532 C PRO A 38 1.506 -4.679 -17.426 1.00 0.00 C ATOM 533 O PRO A 38 2.368 -5.482 -17.781 1.00 0.00 O ATOM 534 CB PRO A 38 2.674 -2.772 -18.564 1.00 0.00 C ATOM 535 CG PRO A 38 4.070 -2.812 -18.044 1.00 0.00 C ATOM 536 CD PRO A 38 3.984 -2.417 -16.596 1.00 0.00 C ATOM 0 HA PRO A 38 0.827 -2.702 -17.356 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.545 -3.454 -19.405 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.412 -1.775 -18.919 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.498 -3.809 -18.152 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.712 -2.127 -18.598 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.737 -2.927 -15.995 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.141 -1.347 -16.461 1.00 0.00 H new ATOM 544 N GLY A 39 0.279 -5.046 -17.069 1.00 0.00 N ATOM 545 CA GLY A 39 -0.110 -6.444 -17.082 1.00 0.00 C ATOM 546 C GLY A 39 0.407 -7.201 -15.875 1.00 0.00 C ATOM 547 O GLY A 39 1.196 -8.137 -16.012 1.00 0.00 O ATOM 0 H GLY A 39 -0.452 -4.400 -16.771 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.197 -6.515 -17.113 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.266 -6.914 -17.990 1.00 0.00 H new ATOM 551 N SER A 40 -0.036 -6.796 -14.690 1.00 0.00 N ATOM 552 CA SER A 40 0.391 -7.439 -13.453 1.00 0.00 C ATOM 553 C SER A 40 -0.715 -7.389 -12.404 1.00 0.00 C ATOM 554 O SER A 40 -1.827 -6.937 -12.678 1.00 0.00 O ATOM 555 CB SER A 40 1.653 -6.764 -12.912 1.00 0.00 C ATOM 556 OG SER A 40 1.332 -5.794 -11.931 1.00 0.00 O ATOM 0 H SER A 40 -0.691 -6.025 -14.560 1.00 0.00 H new ATOM 0 HA SER A 40 0.612 -8.483 -13.673 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.315 -7.515 -12.482 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.196 -6.292 -13.731 1.00 0.00 H new ATOM 0 HG SER A 40 1.985 -5.838 -11.201 1.00 0.00 H new ATOM 562 N LYS A 41 -0.402 -7.858 -11.200 1.00 0.00 N ATOM 563 CA LYS A 41 -1.368 -7.867 -10.108 1.00 0.00 C ATOM 564 C LYS A 41 -1.897 -6.462 -9.837 1.00 0.00 C ATOM 565 O LYS A 41 -3.027 -6.291 -9.381 1.00 0.00 O ATOM 566 CB LYS A 41 -0.728 -8.435 -8.839 1.00 0.00 C ATOM 567 CG LYS A 41 -0.036 -9.770 -9.052 1.00 0.00 C ATOM 568 CD LYS A 41 -0.976 -10.934 -8.787 1.00 0.00 C ATOM 569 CE LYS A 41 -2.017 -11.072 -9.887 1.00 0.00 C ATOM 570 NZ LYS A 41 -2.681 -12.404 -9.859 1.00 0.00 N ATOM 0 H LYS A 41 0.513 -8.237 -10.956 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.205 -8.501 -10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.003 -7.717 -8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.497 -8.552 -8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.337 -9.828 -10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.829 -9.842 -8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.401 -11.857 -8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.475 -10.789 -7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.768 -10.290 -9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.542 -10.923 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.383 -12.458 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.968 -13.150 -9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.156 -12.536 -8.943 1.00 0.00 H new ATOM 584 N ALA A 42 -1.073 -5.459 -10.124 1.00 0.00 N ATOM 585 CA ALA A 42 -1.460 -4.069 -9.915 1.00 0.00 C ATOM 586 C ALA A 42 -2.405 -3.591 -11.012 1.00 0.00 C ATOM 587 O ALA A 42 -3.585 -3.347 -10.764 1.00 0.00 O ATOM 588 CB ALA A 42 -0.225 -3.181 -9.855 1.00 0.00 C ATOM 0 H ALA A 42 -0.134 -5.583 -10.502 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.988 -4.004 -8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.528 -2.146 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.413 -3.500 -9.031 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.326 -3.260 -10.792 1.00 0.00 H new ATOM 594 N ALA A 43 -1.878 -3.461 -12.225 1.00 0.00 N ATOM 595 CA ALA A 43 -2.676 -3.013 -13.360 1.00 0.00 C ATOM 596 C ALA A 43 -3.894 -3.908 -13.562 1.00 0.00 C ATOM 597 O ALA A 43 -5.015 -3.423 -13.707 1.00 0.00 O ATOM 598 CB ALA A 43 -1.826 -2.982 -14.622 1.00 0.00 C ATOM 0 H ALA A 43 -0.902 -3.659 -12.447 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.031 -2.004 -13.148 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.434 -2.646 -15.462 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.991 -2.296 -14.481 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.444 -3.982 -14.828 1.00 0.00 H new ATOM 604 N ALA A 44 -3.665 -5.218 -13.571 1.00 0.00 N ATOM 605 CA ALA A 44 -4.744 -6.180 -13.754 1.00 0.00 C ATOM 606 C ALA A 44 -5.917 -5.872 -12.829 1.00 0.00 C ATOM 607 O ALA A 44 -7.044 -6.302 -13.076 1.00 0.00 O ATOM 608 CB ALA A 44 -4.237 -7.594 -13.512 1.00 0.00 C ATOM 0 H ALA A 44 -2.742 -5.636 -13.454 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.096 -6.102 -14.783 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.054 -8.302 -13.652 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.436 -7.819 -14.217 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.857 -7.675 -12.494 1.00 0.00 H new ATOM 614 N ALA A 45 -5.645 -5.126 -11.764 1.00 0.00 N ATOM 615 CA ALA A 45 -6.678 -4.759 -10.803 1.00 0.00 C ATOM 616 C ALA A 45 -7.262 -3.387 -11.122 1.00 0.00 C ATOM 617 O ALA A 45 -7.822 -2.724 -10.251 1.00 0.00 O ATOM 618 CB ALA A 45 -6.116 -4.781 -9.390 1.00 0.00 C ATOM 0 H ALA A 45 -4.717 -4.763 -11.544 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.482 -5.492 -10.873 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.898 -4.505 -8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.754 -5.783 -9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.292 -4.071 -9.315 1.00 0.00 H new ATOM 624 N ASN A 46 -7.125 -2.967 -12.375 1.00 0.00 N ATOM 625 CA ASN A 46 -7.638 -1.672 -12.808 1.00 0.00 C ATOM 626 C ASN A 46 -6.922 -0.535 -12.086 1.00 0.00 C ATOM 627 O ASN A 46 -7.475 0.553 -11.917 1.00 0.00 O ATOM 628 CB ASN A 46 -9.144 -1.586 -12.553 1.00 0.00 C ATOM 629 CG ASN A 46 -9.872 -2.854 -12.955 1.00 0.00 C ATOM 630 OD1 ASN A 46 -9.333 -3.689 -13.681 1.00 0.00 O ATOM 631 ND2 ASN A 46 -11.105 -3.003 -12.484 1.00 0.00 N ATOM 0 H ASN A 46 -6.663 -3.504 -13.109 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.452 -1.574 -13.877 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.320 -1.389 -11.495 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.556 -0.743 -13.107 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.644 -3.836 -12.721 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.512 -2.285 -11.885 1.00 0.00 H new ATOM 638 N LEU A 47 -5.690 -0.793 -11.661 1.00 0.00 N ATOM 639 CA LEU A 47 -4.897 0.209 -10.957 1.00 0.00 C ATOM 640 C LEU A 47 -4.138 1.092 -11.942 1.00 0.00 C ATOM 641 O LEU A 47 -3.584 0.606 -12.928 1.00 0.00 O ATOM 642 CB LEU A 47 -3.915 -0.469 -10.000 1.00 0.00 C ATOM 643 CG LEU A 47 -4.538 -1.259 -8.848 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.478 -2.079 -8.129 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.238 -0.320 -7.876 1.00 0.00 C ATOM 0 H LEU A 47 -5.218 -1.688 -11.792 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.577 0.838 -10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.283 -1.144 -10.577 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.263 0.296 -9.579 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.280 -1.943 -9.260 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.939 -2.634 -7.312 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.021 -2.777 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.713 -1.414 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.676 -0.899 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.516 0.388 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.025 0.224 -8.399 1.00 0.00 H new ATOM 657 N CYS A 48 -4.114 2.391 -11.666 1.00 0.00 N ATOM 658 CA CYS A 48 -3.421 3.343 -12.527 1.00 0.00 C ATOM 659 C CYS A 48 -2.769 4.448 -11.701 1.00 0.00 C ATOM 660 O CYS A 48 -3.216 4.783 -10.604 1.00 0.00 O ATOM 661 CB CYS A 48 -4.394 3.951 -13.537 1.00 0.00 C ATOM 662 SG CYS A 48 -5.594 5.093 -12.812 1.00 0.00 S ATOM 0 H CYS A 48 -4.566 2.809 -10.853 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.639 2.807 -13.065 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.824 4.478 -14.302 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.932 3.146 -14.037 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.104 4.564 -11.740 1.00 0.00 H new ATOM 668 N PRO A 49 -1.686 5.029 -12.239 1.00 0.00 N ATOM 669 CA PRO A 49 -0.949 6.104 -11.569 1.00 0.00 C ATOM 670 C PRO A 49 -1.742 7.406 -11.517 1.00 0.00 C ATOM 671 O PRO A 49 -1.744 8.180 -12.473 1.00 0.00 O ATOM 672 CB PRO A 49 0.300 6.273 -12.437 1.00 0.00 C ATOM 673 CG PRO A 49 -0.107 5.785 -13.785 1.00 0.00 C ATOM 674 CD PRO A 49 -1.098 4.680 -13.543 1.00 0.00 C ATOM 0 HA PRO A 49 -0.732 5.862 -10.529 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.619 7.315 -12.473 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.137 5.696 -12.043 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.553 6.588 -14.372 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.754 5.421 -14.345 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.854 4.640 -14.327 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.613 3.704 -13.517 1.00 0.00 H new ATOM 682 N GLY A 50 -2.415 7.640 -10.395 1.00 0.00 N ATOM 683 CA GLY A 50 -3.202 8.849 -10.240 1.00 0.00 C ATOM 684 C GLY A 50 -4.308 8.694 -9.215 1.00 0.00 C ATOM 685 O GLY A 50 -4.749 9.674 -8.614 1.00 0.00 O ATOM 0 H GLY A 50 -2.429 7.014 -9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.548 9.669 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.638 9.121 -11.201 1.00 0.00 H new ATOM 689 N ASP A 51 -4.758 7.461 -9.014 1.00 0.00 N ATOM 690 CA ASP A 51 -5.819 7.180 -8.055 1.00 0.00 C ATOM 691 C ASP A 51 -5.370 7.513 -6.635 1.00 0.00 C ATOM 692 O ASP A 51 -4.207 7.321 -6.280 1.00 0.00 O ATOM 693 CB ASP A 51 -6.239 5.712 -8.140 1.00 0.00 C ATOM 694 CG ASP A 51 -7.234 5.458 -9.254 1.00 0.00 C ATOM 695 OD1 ASP A 51 -7.918 6.417 -9.669 1.00 0.00 O ATOM 696 OD2 ASP A 51 -7.331 4.300 -9.712 1.00 0.00 O ATOM 0 H ASP A 51 -4.404 6.639 -9.503 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.674 7.808 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.356 5.093 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.677 5.407 -7.189 1.00 0.00 H new ATOM 701 N VAL A 52 -6.300 8.012 -5.827 1.00 0.00 N ATOM 702 CA VAL A 52 -6.000 8.371 -4.446 1.00 0.00 C ATOM 703 C VAL A 52 -6.198 7.181 -3.514 1.00 0.00 C ATOM 704 O VAL A 52 -7.092 6.360 -3.720 1.00 0.00 O ATOM 705 CB VAL A 52 -6.883 9.539 -3.965 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.429 10.023 -2.597 1.00 0.00 C ATOM 707 CG2 VAL A 52 -6.860 10.675 -4.977 1.00 0.00 C ATOM 0 H VAL A 52 -7.267 8.177 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.955 8.680 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.909 9.183 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.064 10.848 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.502 9.206 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.395 10.363 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.489 11.492 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.837 11.032 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.237 10.317 -5.935 1.00 0.00 H new ATOM 717 N ILE A 53 -5.359 7.096 -2.487 1.00 0.00 N ATOM 718 CA ILE A 53 -5.443 6.007 -1.521 1.00 0.00 C ATOM 719 C ILE A 53 -6.025 6.490 -0.197 1.00 0.00 C ATOM 720 O ILE A 53 -5.377 7.228 0.546 1.00 0.00 O ATOM 721 CB ILE A 53 -4.062 5.376 -1.263 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.422 4.938 -2.581 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.189 4.196 -0.311 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.773 3.522 -2.982 1.00 0.00 C ATOM 0 H ILE A 53 -4.614 7.768 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.103 5.254 -1.951 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.418 6.124 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.736 5.619 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.339 5.025 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.205 3.760 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.607 4.536 0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.847 3.445 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.285 3.279 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.435 2.831 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.853 3.434 -3.099 1.00 0.00 H new ATOM 736 N LEU A 54 -7.251 6.068 0.093 1.00 0.00 N ATOM 737 CA LEU A 54 -7.921 6.456 1.329 1.00 0.00 C ATOM 738 C LEU A 54 -7.408 5.635 2.507 1.00 0.00 C ATOM 739 O LEU A 54 -7.120 6.175 3.575 1.00 0.00 O ATOM 740 CB LEU A 54 -9.434 6.279 1.190 1.00 0.00 C ATOM 741 CG LEU A 54 -10.126 7.188 0.173 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.513 6.660 -0.158 1.00 0.00 C ATOM 743 CD2 LEU A 54 -10.207 8.613 0.700 1.00 0.00 C ATOM 0 H LEU A 54 -7.801 5.457 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.700 7.507 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.635 5.243 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.890 6.446 2.166 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.534 7.194 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.990 7.320 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.430 5.658 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.115 6.623 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.702 9.246 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.776 8.625 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.201 8.990 0.885 1.00 0.00 H new ATOM 755 N ALA A 55 -7.293 4.326 2.305 1.00 0.00 N ATOM 756 CA ALA A 55 -6.810 3.431 3.349 1.00 0.00 C ATOM 757 C ALA A 55 -5.980 2.297 2.758 1.00 0.00 C ATOM 758 O ALA A 55 -6.343 1.717 1.735 1.00 0.00 O ATOM 759 CB ALA A 55 -7.979 2.872 4.147 1.00 0.00 C ATOM 0 H ALA A 55 -7.528 3.862 1.427 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.169 4.005 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.604 2.205 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.530 3.692 4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.642 2.318 3.482 1.00 0.00 H new ATOM 765 N ILE A 56 -4.864 1.986 3.409 1.00 0.00 N ATOM 766 CA ILE A 56 -3.982 0.921 2.947 1.00 0.00 C ATOM 767 C ILE A 56 -4.202 -0.359 3.746 1.00 0.00 C ATOM 768 O ILE A 56 -4.353 -0.323 4.967 1.00 0.00 O ATOM 769 CB ILE A 56 -2.501 1.330 3.053 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.246 2.613 2.259 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.604 0.206 2.556 1.00 0.00 C ATOM 772 CD1 ILE A 56 -0.892 3.231 2.529 1.00 0.00 C ATOM 0 H ILE A 56 -4.549 2.456 4.258 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.226 0.741 1.900 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.266 1.520 4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.331 2.395 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.022 3.340 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.560 0.510 2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.770 -0.686 3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.838 -0.013 1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.780 4.136 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.810 3.481 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.109 2.522 2.262 1.00 0.00 H new ATOM 784 N ASP A 57 -4.218 -1.490 3.049 1.00 0.00 N ATOM 785 CA ASP A 57 -4.417 -2.783 3.693 1.00 0.00 C ATOM 786 C ASP A 57 -5.367 -2.658 4.880 1.00 0.00 C ATOM 787 O ASP A 57 -5.135 -3.242 5.937 1.00 0.00 O ATOM 788 CB ASP A 57 -3.077 -3.358 4.154 1.00 0.00 C ATOM 789 CG ASP A 57 -2.405 -2.491 5.201 1.00 0.00 C ATOM 790 OD1 ASP A 57 -2.140 -1.307 4.908 1.00 0.00 O ATOM 791 OD2 ASP A 57 -2.142 -2.998 6.312 1.00 0.00 O ATOM 0 H ASP A 57 -4.095 -1.537 2.037 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.862 -3.460 2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.234 -4.357 4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.415 -3.464 3.294 1.00 0.00 H new ATOM 796 N GLY A 58 -6.438 -1.892 4.697 1.00 0.00 N ATOM 797 CA GLY A 58 -7.406 -1.703 5.761 1.00 0.00 C ATOM 798 C GLY A 58 -6.891 -0.795 6.860 1.00 0.00 C ATOM 799 O GLY A 58 -7.080 -1.072 8.044 1.00 0.00 O ATOM 0 H GLY A 58 -6.652 -1.399 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.321 -1.281 5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.667 -2.672 6.187 1.00 0.00 H new ATOM 803 N PHE A 59 -6.236 0.293 6.467 1.00 0.00 N ATOM 804 CA PHE A 59 -5.688 1.244 7.428 1.00 0.00 C ATOM 805 C PHE A 59 -5.590 2.638 6.816 1.00 0.00 C ATOM 806 O PHE A 59 -4.723 2.904 5.984 1.00 0.00 O ATOM 807 CB PHE A 59 -4.309 0.784 7.903 1.00 0.00 C ATOM 808 CG PHE A 59 -4.361 -0.341 8.897 1.00 0.00 C ATOM 809 CD1 PHE A 59 -5.080 -0.210 10.074 1.00 0.00 C ATOM 810 CD2 PHE A 59 -3.691 -1.529 8.653 1.00 0.00 C ATOM 811 CE1 PHE A 59 -5.129 -1.244 10.990 1.00 0.00 C ATOM 812 CE2 PHE A 59 -3.737 -2.567 9.566 1.00 0.00 C ATOM 813 CZ PHE A 59 -4.458 -2.424 10.735 1.00 0.00 C ATOM 0 H PHE A 59 -6.072 0.538 5.491 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.362 1.288 8.284 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.723 0.469 7.040 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.787 1.630 8.351 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.608 0.710 10.278 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.127 -1.646 7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.692 -1.129 11.905 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.210 -3.488 9.365 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.497 -3.234 11.449 1.00 0.00 H new ATOM 823 N GLY A 60 -6.486 3.527 7.235 1.00 0.00 N ATOM 824 CA GLY A 60 -6.484 4.883 6.719 1.00 0.00 C ATOM 825 C GLY A 60 -5.103 5.508 6.737 1.00 0.00 C ATOM 826 O GLY A 60 -4.262 5.152 7.563 1.00 0.00 O ATOM 0 H GLY A 60 -7.213 3.332 7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.865 4.880 5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.164 5.495 7.311 1.00 0.00 H new ATOM 830 N THR A 61 -4.867 6.443 5.822 1.00 0.00 N ATOM 831 CA THR A 61 -3.578 7.117 5.733 1.00 0.00 C ATOM 832 C THR A 61 -3.603 8.451 6.471 1.00 0.00 C ATOM 833 O THR A 61 -2.936 9.404 6.070 1.00 0.00 O ATOM 834 CB THR A 61 -3.170 7.361 4.268 1.00 0.00 C ATOM 835 OG1 THR A 61 -4.077 8.284 3.655 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.160 6.057 3.485 1.00 0.00 C ATOM 0 H THR A 61 -5.552 6.751 5.132 1.00 0.00 H new ATOM 0 HA THR A 61 -2.845 6.459 6.201 1.00 0.00 H new ATOM 0 HB THR A 61 -2.164 7.780 4.259 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.022 8.198 2.680 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.869 6.254 2.453 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.448 5.367 3.937 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.156 5.614 3.503 1.00 0.00 H new ATOM 844 N GLU A 62 -4.377 8.511 7.550 1.00 0.00 N ATOM 845 CA GLU A 62 -4.488 9.730 8.343 1.00 0.00 C ATOM 846 C GLU A 62 -3.235 9.947 9.186 1.00 0.00 C ATOM 847 O GLU A 62 -2.757 11.072 9.329 1.00 0.00 O ATOM 848 CB GLU A 62 -5.720 9.665 9.248 1.00 0.00 C ATOM 849 CG GLU A 62 -5.579 8.682 10.398 1.00 0.00 C ATOM 850 CD GLU A 62 -6.898 8.403 11.092 1.00 0.00 C ATOM 851 OE1 GLU A 62 -7.471 9.344 11.679 1.00 0.00 O ATOM 852 OE2 GLU A 62 -7.357 7.242 11.047 1.00 0.00 O ATOM 0 H GLU A 62 -4.936 7.731 7.895 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.593 10.571 7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.916 10.658 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.587 9.388 8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.165 7.746 10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.867 9.077 11.123 1.00 0.00 H new ATOM 859 N SER A 63 -2.707 8.861 9.741 1.00 0.00 N ATOM 860 CA SER A 63 -1.512 8.932 10.574 1.00 0.00 C ATOM 861 C SER A 63 -0.380 8.104 9.972 1.00 0.00 C ATOM 862 O SER A 63 0.539 7.686 10.674 1.00 0.00 O ATOM 863 CB SER A 63 -1.820 8.441 11.989 1.00 0.00 C ATOM 864 OG SER A 63 -0.796 8.815 12.894 1.00 0.00 O ATOM 0 H SER A 63 -3.088 7.921 9.629 1.00 0.00 H new ATOM 0 HA SER A 63 -1.193 9.973 10.620 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.772 8.855 12.321 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.928 7.356 11.985 1.00 0.00 H new ATOM 0 HG SER A 63 0.077 8.584 12.513 1.00 0.00 H new ATOM 870 N MET A 64 -0.456 7.872 8.665 1.00 0.00 N ATOM 871 CA MET A 64 0.562 7.096 7.967 1.00 0.00 C ATOM 872 C MET A 64 1.266 7.945 6.913 1.00 0.00 C ATOM 873 O MET A 64 0.694 8.255 5.867 1.00 0.00 O ATOM 874 CB MET A 64 -0.065 5.865 7.311 1.00 0.00 C ATOM 875 CG MET A 64 0.661 5.408 6.056 1.00 0.00 C ATOM 876 SD MET A 64 0.474 3.641 5.750 1.00 0.00 S ATOM 877 CE MET A 64 -1.310 3.485 5.738 1.00 0.00 C ATOM 0 H MET A 64 -1.211 8.210 8.069 1.00 0.00 H new ATOM 0 HA MET A 64 1.301 6.772 8.700 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.078 5.047 8.031 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.103 6.086 7.060 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.281 5.963 5.199 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.721 5.647 6.147 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.586 2.449 5.934 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.736 4.126 6.509 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.695 3.785 4.763 1.00 0.00 H new ATOM 887 N THR A 65 2.510 8.319 7.195 1.00 0.00 N ATOM 888 CA THR A 65 3.291 9.133 6.272 1.00 0.00 C ATOM 889 C THR A 65 3.781 8.307 5.088 1.00 0.00 C ATOM 890 O THR A 65 3.868 7.081 5.168 1.00 0.00 O ATOM 891 CB THR A 65 4.504 9.772 6.974 1.00 0.00 C ATOM 892 OG1 THR A 65 5.426 8.755 7.382 1.00 0.00 O ATOM 893 CG2 THR A 65 4.064 10.580 8.186 1.00 0.00 C ATOM 0 H THR A 65 2.998 8.071 8.055 1.00 0.00 H new ATOM 0 HA THR A 65 2.631 9.922 5.912 1.00 0.00 H new ATOM 0 HB THR A 65 4.993 10.443 6.267 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.195 9.170 7.826 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.938 11.022 8.665 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.385 11.372 7.869 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.554 9.926 8.893 1.00 0.00 H new ATOM 901 N HIS A 66 4.100 8.984 3.990 1.00 0.00 N ATOM 902 CA HIS A 66 4.582 8.312 2.790 1.00 0.00 C ATOM 903 C HIS A 66 5.509 7.155 3.151 1.00 0.00 C ATOM 904 O HIS A 66 5.246 6.004 2.803 1.00 0.00 O ATOM 905 CB HIS A 66 5.313 9.302 1.883 1.00 0.00 C ATOM 906 CG HIS A 66 5.242 8.950 0.429 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.104 8.450 -0.169 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.175 9.028 -0.548 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.341 8.235 -1.450 1.00 0.00 C ATOM 910 NE2 HIS A 66 5.591 8.578 -1.706 1.00 0.00 N ATOM 0 H HIS A 66 4.033 9.998 3.907 1.00 0.00 H new ATOM 0 HA HIS A 66 3.720 7.912 2.257 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.890 10.296 2.029 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.359 9.354 2.185 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.190 9.379 -0.437 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.633 7.845 -2.167 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.048 8.518 -2.616 1.00 0.00 H new ATOM 919 N ALA A 67 6.595 7.469 3.849 1.00 0.00 N ATOM 920 CA ALA A 67 7.560 6.456 4.258 1.00 0.00 C ATOM 921 C ALA A 67 6.865 5.273 4.924 1.00 0.00 C ATOM 922 O ALA A 67 7.209 4.117 4.674 1.00 0.00 O ATOM 923 CB ALA A 67 8.594 7.060 5.197 1.00 0.00 C ATOM 0 H ALA A 67 6.829 8.417 4.143 1.00 0.00 H new ATOM 0 HA ALA A 67 8.066 6.091 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.308 6.292 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.120 7.867 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.095 7.454 6.083 1.00 0.00 H new ATOM 929 N ASP A 68 5.887 5.568 5.773 1.00 0.00 N ATOM 930 CA ASP A 68 5.143 4.529 6.474 1.00 0.00 C ATOM 931 C ASP A 68 4.348 3.673 5.493 1.00 0.00 C ATOM 932 O ASP A 68 4.223 2.462 5.670 1.00 0.00 O ATOM 933 CB ASP A 68 4.201 5.153 7.505 1.00 0.00 C ATOM 934 CG ASP A 68 4.925 5.575 8.769 1.00 0.00 C ATOM 935 OD1 ASP A 68 6.076 6.048 8.665 1.00 0.00 O ATOM 936 OD2 ASP A 68 4.339 5.434 9.863 1.00 0.00 O ATOM 0 H ASP A 68 5.591 6.519 5.992 1.00 0.00 H new ATOM 0 HA ASP A 68 5.860 3.889 6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.708 6.020 7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.419 4.437 7.759 1.00 0.00 H new ATOM 941 N ALA A 69 3.811 4.312 4.459 1.00 0.00 N ATOM 942 CA ALA A 69 3.029 3.610 3.449 1.00 0.00 C ATOM 943 C ALA A 69 3.897 2.634 2.663 1.00 0.00 C ATOM 944 O ALA A 69 3.479 1.514 2.371 1.00 0.00 O ATOM 945 CB ALA A 69 2.366 4.605 2.509 1.00 0.00 C ATOM 0 H ALA A 69 3.903 5.315 4.299 1.00 0.00 H new ATOM 0 HA ALA A 69 2.254 3.037 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.785 4.067 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.706 5.259 3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.131 5.203 2.014 1.00 0.00 H new ATOM 951 N GLN A 70 5.107 3.066 2.323 1.00 0.00 N ATOM 952 CA GLN A 70 6.033 2.230 1.569 1.00 0.00 C ATOM 953 C GLN A 70 6.367 0.956 2.339 1.00 0.00 C ATOM 954 O GLN A 70 6.549 -0.108 1.748 1.00 0.00 O ATOM 955 CB GLN A 70 7.316 3.003 1.260 1.00 0.00 C ATOM 956 CG GLN A 70 7.081 4.473 0.949 1.00 0.00 C ATOM 957 CD GLN A 70 8.132 5.048 0.020 1.00 0.00 C ATOM 958 OE1 GLN A 70 7.716 5.959 -0.853 1.00 0.00 O flip ATOM 959 NE2 GLN A 70 9.304 4.678 0.085 1.00 0.00 N flip ATOM 0 H GLN A 70 5.469 3.990 2.558 1.00 0.00 H new ATOM 0 HA GLN A 70 5.550 1.951 0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.992 2.924 2.111 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.816 2.536 0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.097 4.592 0.496 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.074 5.041 1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.580 3.976 0.771 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.000 5.074 -0.547 1.00 0.00 H new ATOM 968 N ASP A 71 6.444 1.072 3.660 1.00 0.00 N ATOM 969 CA ASP A 71 6.755 -0.071 4.511 1.00 0.00 C ATOM 970 C ASP A 71 5.502 -0.896 4.791 1.00 0.00 C ATOM 971 O ASP A 71 5.584 -2.009 5.310 1.00 0.00 O ATOM 972 CB ASP A 71 7.375 0.400 5.827 1.00 0.00 C ATOM 973 CG ASP A 71 8.886 0.495 5.754 1.00 0.00 C ATOM 974 OD1 ASP A 71 9.402 0.954 4.713 1.00 0.00 O ATOM 975 OD2 ASP A 71 9.553 0.112 6.738 1.00 0.00 O ATOM 0 H ASP A 71 6.295 1.946 4.165 1.00 0.00 H new ATOM 0 HA ASP A 71 7.473 -0.700 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.965 1.375 6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.095 -0.289 6.624 1.00 0.00 H new ATOM 980 N ARG A 72 4.345 -0.342 4.444 1.00 0.00 N ATOM 981 CA ARG A 72 3.076 -1.026 4.660 1.00 0.00 C ATOM 982 C ARG A 72 2.678 -1.835 3.429 1.00 0.00 C ATOM 983 O ARG A 72 2.025 -2.873 3.541 1.00 0.00 O ATOM 984 CB ARG A 72 1.978 -0.015 4.996 1.00 0.00 C ATOM 985 CG ARG A 72 1.833 0.254 6.485 1.00 0.00 C ATOM 986 CD ARG A 72 0.834 -0.695 7.128 1.00 0.00 C ATOM 987 NE ARG A 72 0.537 -0.324 8.509 1.00 0.00 N ATOM 988 CZ ARG A 72 1.289 -0.683 9.543 1.00 0.00 C ATOM 989 NH1 ARG A 72 2.376 -1.417 9.354 1.00 0.00 N ATOM 990 NH2 ARG A 72 0.953 -0.307 10.771 1.00 0.00 N ATOM 0 H ARG A 72 4.260 0.578 4.012 1.00 0.00 H new ATOM 0 HA ARG A 72 3.199 -1.711 5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.191 0.924 4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.028 -0.381 4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.803 0.147 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.510 1.284 6.640 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.088 -0.698 6.547 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.230 -1.710 7.103 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.293 0.241 8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.637 -1.708 8.412 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.951 -1.691 10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.117 0.258 10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.531 -0.583 11.565 1.00 0.00 H new ATOM 1004 N ILE A 73 3.074 -1.351 2.256 1.00 0.00 N ATOM 1005 CA ILE A 73 2.759 -2.030 1.005 1.00 0.00 C ATOM 1006 C ILE A 73 3.692 -3.213 0.771 1.00 0.00 C ATOM 1007 O ILE A 73 3.248 -4.311 0.434 1.00 0.00 O ATOM 1008 CB ILE A 73 2.854 -1.070 -0.195 1.00 0.00 C ATOM 1009 CG1 ILE A 73 1.825 0.054 -0.060 1.00 0.00 C ATOM 1010 CG2 ILE A 73 2.650 -1.829 -1.498 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.073 1.216 -0.996 1.00 0.00 C ATOM 0 H ILE A 73 3.613 -0.492 2.146 1.00 0.00 H new ATOM 0 HA ILE A 73 1.734 -2.391 1.091 1.00 0.00 H new ATOM 0 HB ILE A 73 3.849 -0.626 -0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.831 -0.350 -0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.829 0.418 0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.720 -1.137 -2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.418 -2.597 -1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.666 -2.298 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.305 1.975 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.053 1.646 -0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.039 0.866 -2.028 1.00 0.00 H new ATOM 1023 N LYS A 74 4.988 -2.982 0.954 1.00 0.00 N ATOM 1024 CA LYS A 74 5.985 -4.029 0.766 1.00 0.00 C ATOM 1025 C LYS A 74 5.786 -5.158 1.773 1.00 0.00 C ATOM 1026 O LYS A 74 5.991 -6.329 1.455 1.00 0.00 O ATOM 1027 CB LYS A 74 7.395 -3.450 0.906 1.00 0.00 C ATOM 1028 CG LYS A 74 7.737 -3.018 2.321 1.00 0.00 C ATOM 1029 CD LYS A 74 9.114 -2.379 2.391 1.00 0.00 C ATOM 1030 CE LYS A 74 9.687 -2.441 3.799 1.00 0.00 C ATOM 1031 NZ LYS A 74 10.466 -3.689 4.026 1.00 0.00 N ATOM 0 H LYS A 74 5.372 -2.079 1.232 1.00 0.00 H new ATOM 0 HA LYS A 74 5.863 -4.436 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.119 -4.196 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.495 -2.593 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.988 -2.311 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.701 -3.882 2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.787 -2.887 1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.051 -1.340 2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.329 -1.576 3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.875 -2.382 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.840 -3.693 4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.848 -4.514 3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.256 -3.733 3.351 1.00 0.00 H new ATOM 1045 N ALA A 75 5.384 -4.797 2.987 1.00 0.00 N ATOM 1046 CA ALA A 75 5.154 -5.780 4.039 1.00 0.00 C ATOM 1047 C ALA A 75 3.678 -6.156 4.125 1.00 0.00 C ATOM 1048 O ALA A 75 3.231 -6.726 5.119 1.00 0.00 O ATOM 1049 CB ALA A 75 5.644 -5.246 5.376 1.00 0.00 C ATOM 0 H ALA A 75 5.211 -3.831 3.267 1.00 0.00 H new ATOM 0 HA ALA A 75 5.717 -6.680 3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.466 -5.990 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.711 -5.034 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.106 -4.330 5.621 1.00 0.00 H new ATOM 1055 N ALA A 76 2.928 -5.831 3.078 1.00 0.00 N ATOM 1056 CA ALA A 76 1.503 -6.137 3.035 1.00 0.00 C ATOM 1057 C ALA A 76 1.249 -7.613 3.319 1.00 0.00 C ATOM 1058 O ALA A 76 2.177 -8.367 3.611 1.00 0.00 O ATOM 1059 CB ALA A 76 0.920 -5.749 1.684 1.00 0.00 C ATOM 0 H ALA A 76 3.283 -5.356 2.248 1.00 0.00 H new ATOM 0 HA ALA A 76 1.008 -5.555 3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.144 -5.983 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.059 -4.680 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.427 -6.305 0.896 1.00 0.00 H new ATOM 1065 N SER A 77 -0.013 -8.019 3.231 1.00 0.00 N ATOM 1066 CA SER A 77 -0.390 -9.406 3.483 1.00 0.00 C ATOM 1067 C SER A 77 -0.751 -10.115 2.182 1.00 0.00 C ATOM 1068 O SER A 77 -0.797 -9.499 1.117 1.00 0.00 O ATOM 1069 CB SER A 77 -1.569 -9.467 4.455 1.00 0.00 C ATOM 1070 OG SER A 77 -1.194 -9.007 5.742 1.00 0.00 O ATOM 0 H SER A 77 -0.792 -7.408 2.987 1.00 0.00 H new ATOM 0 HA SER A 77 0.465 -9.915 3.928 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.390 -8.860 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.935 -10.491 4.524 1.00 0.00 H new ATOM 0 HG SER A 77 -1.966 -9.054 6.344 1.00 0.00 H new ATOM 1076 N TYR A 78 -1.008 -11.415 2.276 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.363 -12.211 1.107 1.00 0.00 C ATOM 1078 C TYR A 78 -2.291 -11.432 0.179 1.00 0.00 C ATOM 1079 O TYR A 78 -2.324 -11.672 -1.027 1.00 0.00 O ATOM 1080 CB TYR A 78 -2.033 -13.517 1.537 1.00 0.00 C ATOM 1081 CG TYR A 78 -3.029 -13.345 2.661 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -2.610 -13.296 3.985 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -4.389 -13.233 2.400 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -3.517 -13.140 5.016 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -5.302 -13.075 3.424 1.00 0.00 C ATOM 1086 CZ TYR A 78 -4.862 -13.029 4.730 1.00 0.00 C ATOM 1087 OH TYR A 78 -5.769 -12.873 5.753 1.00 0.00 O ATOM 0 H TYR A 78 -0.977 -11.940 3.150 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.446 -12.442 0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.540 -13.956 0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.265 -14.224 1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.558 -13.381 4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.738 -13.270 1.379 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.175 -13.105 6.040 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.356 -12.988 3.203 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.674 -12.809 5.381 1.00 0.00 H new ATOM 1097 N GLN A 79 -3.043 -10.498 0.753 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.972 -9.684 -0.021 1.00 0.00 C ATOM 1099 C GLN A 79 -3.906 -8.223 0.411 1.00 0.00 C ATOM 1100 O GLN A 79 -3.951 -7.914 1.603 1.00 0.00 O ATOM 1101 CB GLN A 79 -5.399 -10.211 0.137 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.866 -10.278 1.582 1.00 0.00 C ATOM 1103 CD GLN A 79 -7.376 -10.231 1.710 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -8.047 -11.262 1.667 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -7.919 -9.029 1.868 1.00 0.00 N ATOM 0 H GLN A 79 -3.027 -10.287 1.751 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.683 -9.747 -1.070 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.078 -9.571 -0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.461 -11.207 -0.303 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.495 -11.196 2.038 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.432 -9.448 2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.324 -8.201 1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.930 -8.934 1.959 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.798 -7.327 -0.564 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.725 -5.897 -0.284 1.00 0.00 C ATOM 1116 C LEU A 80 -5.080 -5.230 -0.502 1.00 0.00 C ATOM 1117 O LEU A 80 -5.692 -5.378 -1.560 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.670 -5.237 -1.173 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.469 -3.734 -0.973 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.880 -3.452 0.400 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.575 -3.166 -2.066 1.00 0.00 C ATOM 0 H LEU A 80 -3.759 -7.565 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.442 -5.770 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.716 -5.737 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.940 -5.412 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.441 -3.245 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.744 -2.378 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.557 -3.823 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.916 -3.953 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.443 -2.096 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.604 -3.660 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.037 -3.335 -3.039 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.540 -4.495 0.504 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.821 -3.803 0.422 1.00 0.00 C ATOM 1135 C CYS A 81 -6.623 -2.291 0.396 1.00 0.00 C ATOM 1136 O CYS A 81 -6.382 -1.668 1.431 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.711 -4.193 1.603 1.00 0.00 C ATOM 1138 SG CYS A 81 -8.759 -5.633 1.295 1.00 0.00 S ATOM 0 H CYS A 81 -5.045 -4.363 1.386 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.308 -4.102 -0.506 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.080 -4.395 2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.345 -3.345 1.862 1.00 0.00 H new ATOM 0 HG CYS A 81 -9.472 -5.885 2.352 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.723 -1.707 -0.793 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.553 -0.267 -0.954 1.00 0.00 C ATOM 1146 C LEU A 82 -7.847 0.384 -1.430 1.00 0.00 C ATOM 1147 O LEU A 82 -8.282 0.173 -2.563 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.426 0.025 -1.948 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.007 -0.259 -1.455 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.065 -0.463 -2.632 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.515 0.872 -0.565 1.00 0.00 C ATOM 0 H LEU A 82 -6.921 -2.208 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.292 0.154 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.601 -0.564 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.486 1.074 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.024 -1.176 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.059 -0.664 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.407 -1.308 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.052 0.436 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.503 0.653 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.513 1.805 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.175 0.971 0.297 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.458 1.180 -0.559 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.701 1.866 -0.890 1.00 0.00 C ATOM 1165 C LYS A 83 -9.421 3.211 -1.552 1.00 0.00 C ATOM 1166 O LYS A 83 -8.746 4.067 -0.978 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.545 2.072 0.370 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.874 2.758 0.107 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.708 2.863 1.373 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.614 4.084 1.344 1.00 0.00 C ATOM 1171 NZ LYS A 83 -14.731 3.970 2.322 1.00 0.00 N ATOM 0 H LYS A 83 -8.112 1.366 0.382 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.254 1.243 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.731 1.104 0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.975 2.665 1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.696 3.755 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.428 2.202 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.312 1.963 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.050 2.918 2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.028 4.976 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.021 4.210 0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.325 4.822 2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.306 3.133 2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.343 3.875 3.282 1.00 0.00 H new ATOM 1185 N ILE A 84 -9.943 3.391 -2.760 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.751 4.634 -3.497 1.00 0.00 C ATOM 1187 C ILE A 84 -10.988 5.521 -3.412 1.00 0.00 C ATOM 1188 O ILE A 84 -12.084 5.048 -3.112 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.427 4.364 -4.979 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.533 3.525 -5.621 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -8.081 3.666 -5.108 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -10.714 3.793 -7.099 1.00 0.00 C ATOM 0 H ILE A 84 -10.502 2.692 -3.249 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.907 5.148 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.371 5.318 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.307 2.469 -5.477 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.473 3.723 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.866 3.482 -6.161 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.301 4.298 -4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.110 2.717 -4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.514 3.163 -7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.971 4.841 -7.250 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.787 3.568 -7.626 1.00 0.00 H new ATOM 1204 N ASP A 85 -10.805 6.809 -3.681 1.00 0.00 N ATOM 1205 CA ASP A 85 -11.907 7.763 -3.638 1.00 0.00 C ATOM 1206 C ASP A 85 -12.542 7.922 -5.016 1.00 0.00 C ATOM 1207 O ASP A 85 -13.042 8.993 -5.360 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.416 9.120 -3.130 1.00 0.00 C ATOM 1209 CG ASP A 85 -12.524 9.936 -2.495 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -13.540 9.337 -2.084 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -12.375 11.173 -2.408 1.00 0.00 O ATOM 0 H ASP A 85 -9.904 7.216 -3.931 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.661 7.378 -2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.620 8.966 -2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.985 9.681 -3.959 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.518 6.849 -5.800 1.00 0.00 N ATOM 1217 CA ARG A 86 -13.090 6.870 -7.141 1.00 0.00 C ATOM 1218 C ARG A 86 -12.905 8.239 -7.790 1.00 0.00 C ATOM 1219 O ARG A 86 -13.861 8.839 -8.279 1.00 0.00 O ATOM 1220 CB ARG A 86 -14.577 6.515 -7.090 1.00 0.00 C ATOM 1221 CG ARG A 86 -14.852 5.026 -7.219 1.00 0.00 C ATOM 1222 CD ARG A 86 -14.577 4.528 -8.629 1.00 0.00 C ATOM 1223 NE ARG A 86 -15.526 5.071 -9.597 1.00 0.00 N ATOM 1224 CZ ARG A 86 -16.755 4.596 -9.768 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -17.181 3.573 -9.039 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -17.560 5.144 -10.668 1.00 0.00 N ATOM 0 H ARG A 86 -12.109 5.955 -5.530 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.567 6.128 -7.743 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.995 6.873 -6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.096 7.042 -7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.231 4.478 -6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -15.890 4.823 -6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.564 4.805 -8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.626 3.439 -8.645 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.229 5.858 -10.174 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.565 3.149 -8.345 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.125 3.210 -9.172 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.236 5.931 -11.230 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.503 4.778 -10.798 1.00 0.00 H new