USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 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 28 SER OG : rot 180:sc= -0.104 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 HIS :FLIP no HD1:sc= -0.0746 F(o=-2.6,f=-0.98) USER MOD Set 2.2: A 81 GLN : amide:sc= -0.91 K(o=-0.98,f=-6.5!) USER MOD Set 3.1: A 16 ASN : amide:sc= -4.93! C(o=-4.9!,f=-17!) USER MOD Set 3.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -116:sc= -0.133 (180deg=-0.728) USER MOD Single : A 31 GLN : amide:sc= -0.0043 X(o=-0.0043,f=-0.22) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.321 (180deg=-1.03) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0687 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0718 X(o=-0.072,f=-0.076) USER MOD Single : A 67 THR OG1 : rot -18:sc= 0.779 USER MOD Single : A 71 ASN : amide:sc= -4.07! C(o=-4.1!,f=-4.5!) USER MOD Single : A 72 THR OG1 : rot 93:sc= 0.0453 USER MOD Single : A 73 HIS : no HE2:sc= -2.25 K(o=-2.2,f=-3.2) USER MOD Single : A 75 MET CE :methyl -147:sc= -3.43! (180deg=-5.09!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 10.984 9.079 1.738 1.00 0.00 N ATOM 81 CA ALA A 9 9.778 8.305 1.469 1.00 0.00 C ATOM 82 C ALA A 9 9.735 7.844 0.017 1.00 0.00 C ATOM 83 O ALA A 9 10.157 8.566 -0.887 1.00 0.00 O ATOM 84 CB ALA A 9 8.541 9.125 1.802 1.00 0.00 C ATOM 0 HA ALA A 9 9.795 7.419 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.648 8.535 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.560 9.400 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.528 10.028 1.192 1.00 0.00 H new ATOM 90 N ARG A 10 9.223 6.637 -0.200 1.00 0.00 N ATOM 91 CA ARG A 10 9.127 6.079 -1.543 1.00 0.00 C ATOM 92 C ARG A 10 7.684 6.099 -2.039 1.00 0.00 C ATOM 93 O ARG A 10 6.734 6.004 -1.263 1.00 0.00 O ATOM 94 CB ARG A 10 9.663 4.646 -1.563 1.00 0.00 C ATOM 95 CG ARG A 10 11.127 4.537 -1.169 1.00 0.00 C ATOM 96 CD ARG A 10 11.527 3.095 -0.902 1.00 0.00 C ATOM 97 NE ARG A 10 12.655 3.001 0.020 1.00 0.00 N ATOM 98 CZ ARG A 10 12.964 1.898 0.693 1.00 0.00 C ATOM 99 NH1 ARG A 10 12.235 0.801 0.547 1.00 0.00 N ATOM 100 NH2 ARG A 10 14.008 1.891 1.513 1.00 0.00 N ATOM 0 H ARG A 10 8.868 6.027 0.537 1.00 0.00 H new ATOM 0 HA ARG A 10 9.731 6.696 -2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.067 4.035 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.533 4.233 -2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.750 4.947 -1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.311 5.137 -0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.676 2.553 -0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.787 2.611 -1.843 1.00 0.00 H new ATOM 0 HE ARG A 10 13.238 3.827 0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.433 0.802 -0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.475 -0.044 1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.573 2.733 1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.245 1.044 2.030 1.00 0.00 H new ATOM 114 N PRO A 11 7.515 6.229 -3.364 1.00 0.00 N ATOM 115 CA PRO A 11 6.191 6.266 -3.993 1.00 0.00 C ATOM 116 C PRO A 11 5.484 4.917 -3.936 1.00 0.00 C ATOM 117 O PRO A 11 6.126 3.866 -3.965 1.00 0.00 O ATOM 118 CB PRO A 11 6.498 6.648 -5.443 1.00 0.00 C ATOM 119 CG PRO A 11 7.897 6.188 -5.668 1.00 0.00 C ATOM 120 CD PRO A 11 8.603 6.349 -4.350 1.00 0.00 C ATOM 0 HA PRO A 11 5.519 6.960 -3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.807 6.166 -6.134 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.405 7.723 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.918 5.149 -5.998 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.382 6.779 -6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.363 5.582 -4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.106 7.313 -4.278 1.00 0.00 H new ATOM 128 N PHE A 12 4.158 4.952 -3.855 1.00 0.00 N ATOM 129 CA PHE A 12 3.364 3.730 -3.793 1.00 0.00 C ATOM 130 C PHE A 12 1.978 3.952 -4.393 1.00 0.00 C ATOM 131 O PHE A 12 1.349 4.985 -4.165 1.00 0.00 O ATOM 132 CB PHE A 12 3.234 3.254 -2.345 1.00 0.00 C ATOM 133 CG PHE A 12 4.552 2.933 -1.698 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.324 1.879 -2.157 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.017 3.685 -0.632 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.537 1.580 -1.566 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.229 3.391 -0.037 1.00 0.00 C ATOM 138 CZ PHE A 12 6.990 2.337 -0.503 1.00 0.00 C ATOM 0 H PHE A 12 3.611 5.812 -3.831 1.00 0.00 H new ATOM 0 HA PHE A 12 3.875 2.964 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.730 4.025 -1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.600 2.368 -2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.974 1.283 -2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.426 4.510 -0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.130 0.756 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.581 3.986 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.937 2.105 -0.038 1.00 0.00 H new ATOM 148 N ARG A 13 1.509 2.974 -5.161 1.00 0.00 N ATOM 149 CA ARG A 13 0.200 3.063 -5.797 1.00 0.00 C ATOM 150 C ARG A 13 -0.819 2.195 -5.063 1.00 0.00 C ATOM 151 O ARG A 13 -0.548 1.039 -4.739 1.00 0.00 O ATOM 152 CB ARG A 13 0.290 2.633 -7.262 1.00 0.00 C ATOM 153 CG ARG A 13 0.929 3.676 -8.164 1.00 0.00 C ATOM 154 CD ARG A 13 1.410 3.063 -9.470 1.00 0.00 C ATOM 155 NE ARG A 13 2.477 3.849 -10.083 1.00 0.00 N ATOM 156 CZ ARG A 13 2.266 4.965 -10.772 1.00 0.00 C ATOM 157 NH1 ARG A 13 1.033 5.425 -10.935 1.00 0.00 N ATOM 158 NH2 ARG A 13 3.289 5.624 -11.299 1.00 0.00 N ATOM 0 H ARG A 13 2.016 2.111 -5.358 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.130 4.101 -5.750 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.864 1.709 -7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.712 2.412 -7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.209 4.466 -8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.769 4.140 -7.647 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.767 2.050 -9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.573 2.985 -10.164 1.00 0.00 H new ATOM 0 HE ARG A 13 3.438 3.523 -9.976 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.243 4.922 -10.531 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.874 6.282 -11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.239 5.274 -11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.126 6.481 -11.828 1.00 0.00 H new ATOM 172 N VAL A 14 -1.993 2.762 -4.803 1.00 0.00 N ATOM 173 CA VAL A 14 -3.053 2.042 -4.109 1.00 0.00 C ATOM 174 C VAL A 14 -4.308 1.946 -4.970 1.00 0.00 C ATOM 175 O VAL A 14 -4.735 2.930 -5.573 1.00 0.00 O ATOM 176 CB VAL A 14 -3.410 2.720 -2.772 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.295 1.812 -1.933 1.00 0.00 C ATOM 178 CG2 VAL A 14 -2.148 3.099 -2.013 1.00 0.00 C ATOM 0 H VAL A 14 -2.234 3.719 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.676 1.039 -3.910 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.966 3.633 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.537 2.307 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.215 1.597 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.769 0.880 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.419 3.577 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.563 2.202 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.556 3.790 -2.613 1.00 0.00 H new ATOM 188 N SER A 15 -4.895 0.754 -5.021 1.00 0.00 N ATOM 189 CA SER A 15 -6.100 0.529 -5.810 1.00 0.00 C ATOM 190 C SER A 15 -7.206 -0.076 -4.951 1.00 0.00 C ATOM 191 O SER A 15 -6.951 -0.922 -4.097 1.00 0.00 O ATOM 192 CB SER A 15 -5.794 -0.393 -6.993 1.00 0.00 C ATOM 193 OG SER A 15 -4.802 0.169 -7.834 1.00 0.00 O ATOM 0 H SER A 15 -4.555 -0.070 -4.525 1.00 0.00 H new ATOM 0 HA SER A 15 -6.444 1.492 -6.188 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.457 -1.362 -6.625 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.704 -0.569 -7.566 1.00 0.00 H new ATOM 0 HG SER A 15 -4.623 -0.440 -8.581 1.00 0.00 H new ATOM 199 N ASN A 16 -8.437 0.366 -5.187 1.00 0.00 N ATOM 200 CA ASN A 16 -9.585 -0.130 -4.435 1.00 0.00 C ATOM 201 C ASN A 16 -9.810 -1.615 -4.705 1.00 0.00 C ATOM 202 O ASN A 16 -9.094 -2.228 -5.497 1.00 0.00 O ATOM 203 CB ASN A 16 -10.841 0.663 -4.800 1.00 0.00 C ATOM 204 CG ASN A 16 -11.320 0.372 -6.210 1.00 0.00 C ATOM 205 OD1 ASN A 16 -10.977 -0.657 -6.793 1.00 0.00 O ATOM 206 ND2 ASN A 16 -12.117 1.278 -6.762 1.00 0.00 N ATOM 0 H ASN A 16 -8.666 1.066 -5.893 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.377 0.001 -3.373 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.636 0.425 -4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.636 1.729 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.472 1.136 -7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.375 2.116 -6.241 1.00 0.00 H new ATOM 213 N HIS A 17 -10.811 -2.185 -4.042 1.00 0.00 N ATOM 214 CA HIS A 17 -11.132 -3.598 -4.211 1.00 0.00 C ATOM 215 C HIS A 17 -11.443 -3.914 -5.671 1.00 0.00 C ATOM 216 O HIS A 17 -11.054 -4.962 -6.186 1.00 0.00 O ATOM 217 CB HIS A 17 -12.322 -3.981 -3.330 1.00 0.00 C ATOM 218 CG HIS A 17 -13.468 -3.023 -3.422 1.00 0.00 C ATOM 219 ND1 HIS A 17 -13.674 -1.827 -2.820 1.00 0.00 N flip ATOM 220 CD2 HIS A 17 -14.579 -3.250 -4.208 1.00 0.00 C flip ATOM 221 CE1 HIS A 17 -14.891 -1.359 -3.250 1.00 0.00 C flip ATOM 222 NE2 HIS A 17 -15.418 -2.236 -4.086 1.00 0.00 N flip ATOM 0 H HIS A 17 -11.413 -1.691 -3.383 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.262 -4.181 -3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.667 -4.976 -3.612 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.991 -4.041 -2.293 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.738 -4.121 -4.827 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.344 -0.425 -2.953 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.318 -2.146 -4.557 1.00 0.00 H new ATOM 231 N ASP A 18 -12.147 -3.001 -6.332 1.00 0.00 N ATOM 232 CA ASP A 18 -12.509 -3.182 -7.732 1.00 0.00 C ATOM 233 C ASP A 18 -11.352 -2.795 -8.648 1.00 0.00 C ATOM 234 O ASP A 18 -11.536 -2.602 -9.850 1.00 0.00 O ATOM 235 CB ASP A 18 -13.745 -2.349 -8.073 1.00 0.00 C ATOM 236 CG ASP A 18 -14.347 -2.725 -9.413 1.00 0.00 C ATOM 237 OD1 ASP A 18 -13.849 -2.232 -10.446 1.00 0.00 O ATOM 238 OD2 ASP A 18 -15.317 -3.513 -9.428 1.00 0.00 O ATOM 0 H ASP A 18 -12.478 -2.128 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.736 -4.237 -7.889 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.494 -2.480 -7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.476 -1.293 -8.083 1.00 0.00 H new ATOM 243 N ARG A 19 -10.159 -2.683 -8.071 1.00 0.00 N ATOM 244 CA ARG A 19 -8.973 -2.316 -8.834 1.00 0.00 C ATOM 245 C ARG A 19 -9.321 -1.318 -9.935 1.00 0.00 C ATOM 246 O ARG A 19 -8.915 -1.481 -11.085 1.00 0.00 O ATOM 247 CB ARG A 19 -8.330 -3.563 -9.446 1.00 0.00 C ATOM 248 CG ARG A 19 -7.682 -4.479 -8.421 1.00 0.00 C ATOM 249 CD ARG A 19 -7.324 -5.827 -9.026 1.00 0.00 C ATOM 250 NE ARG A 19 -6.340 -5.703 -10.097 1.00 0.00 N ATOM 251 CZ ARG A 19 -5.606 -6.717 -10.542 1.00 0.00 C ATOM 252 NH1 ARG A 19 -5.747 -7.924 -10.012 1.00 0.00 N ATOM 253 NH2 ARG A 19 -4.730 -6.525 -11.521 1.00 0.00 N ATOM 0 H ARG A 19 -9.989 -2.841 -7.078 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.264 -1.846 -8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.090 -4.122 -9.992 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.578 -3.255 -10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.783 -4.006 -8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.361 -4.625 -7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.931 -6.481 -8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.225 -6.300 -9.415 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.209 -4.788 -10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.420 -8.076 -9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.182 -8.701 -10.355 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.620 -5.598 -11.932 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.167 -7.304 -11.862 1.00 0.00 H new ATOM 267 N SER A 20 -10.075 -0.285 -9.573 1.00 0.00 N ATOM 268 CA SER A 20 -10.481 0.737 -10.530 1.00 0.00 C ATOM 269 C SER A 20 -9.864 2.087 -10.178 1.00 0.00 C ATOM 270 O SER A 20 -9.506 2.867 -11.061 1.00 0.00 O ATOM 271 CB SER A 20 -12.007 0.855 -10.566 1.00 0.00 C ATOM 272 OG SER A 20 -12.425 1.753 -11.578 1.00 0.00 O ATOM 0 H SER A 20 -10.417 -0.134 -8.624 1.00 0.00 H new ATOM 0 HA SER A 20 -10.123 0.439 -11.516 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.447 -0.127 -10.742 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.371 1.198 -9.598 1.00 0.00 H new ATOM 0 HG SER A 20 -13.403 1.810 -11.581 1.00 0.00 H new ATOM 278 N SER A 21 -9.740 2.354 -8.883 1.00 0.00 N ATOM 279 CA SER A 21 -9.170 3.611 -8.412 1.00 0.00 C ATOM 280 C SER A 21 -7.652 3.509 -8.300 1.00 0.00 C ATOM 281 O SER A 21 -7.102 2.420 -8.138 1.00 0.00 O ATOM 282 CB SER A 21 -9.768 3.993 -7.057 1.00 0.00 C ATOM 283 OG SER A 21 -11.083 4.500 -7.205 1.00 0.00 O ATOM 0 H SER A 21 -10.027 1.717 -8.140 1.00 0.00 H new ATOM 0 HA SER A 21 -9.413 4.386 -9.138 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.783 3.121 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.138 4.741 -6.576 1.00 0.00 H new ATOM 0 HG SER A 21 -11.444 4.735 -6.325 1.00 0.00 H new ATOM 289 N ARG A 22 -6.980 4.653 -8.386 1.00 0.00 N ATOM 290 CA ARG A 22 -5.525 4.694 -8.295 1.00 0.00 C ATOM 291 C ARG A 22 -5.066 5.889 -7.464 1.00 0.00 C ATOM 292 O ARG A 22 -5.255 7.040 -7.857 1.00 0.00 O ATOM 293 CB ARG A 22 -4.908 4.763 -9.693 1.00 0.00 C ATOM 294 CG ARG A 22 -5.197 3.540 -10.548 1.00 0.00 C ATOM 295 CD ARG A 22 -5.248 3.894 -12.027 1.00 0.00 C ATOM 296 NE ARG A 22 -4.974 2.737 -12.875 1.00 0.00 N ATOM 297 CZ ARG A 22 -5.301 2.676 -14.161 1.00 0.00 C ATOM 298 NH1 ARG A 22 -5.909 3.701 -14.743 1.00 0.00 N ATOM 299 NH2 ARG A 22 -5.019 1.589 -14.867 1.00 0.00 N ATOM 0 H ARG A 22 -7.420 5.564 -8.519 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.190 3.781 -7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.284 5.650 -10.203 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.829 4.883 -9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.428 2.787 -10.379 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.147 3.099 -10.245 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.231 4.297 -12.270 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.521 4.678 -12.238 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.506 1.932 -12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.126 4.539 -14.203 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.159 3.652 -15.731 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.551 0.799 -14.422 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.270 1.543 -15.854 1.00 0.00 H new ATOM 313 N ARG A 23 -4.462 5.606 -6.314 1.00 0.00 N ATOM 314 CA ARG A 23 -3.978 6.657 -5.428 1.00 0.00 C ATOM 315 C ARG A 23 -2.487 6.489 -5.149 1.00 0.00 C ATOM 316 O ARG A 23 -2.047 5.437 -4.685 1.00 0.00 O ATOM 317 CB ARG A 23 -4.758 6.643 -4.112 1.00 0.00 C ATOM 318 CG ARG A 23 -4.865 8.008 -3.453 1.00 0.00 C ATOM 319 CD ARG A 23 -3.549 8.424 -2.813 1.00 0.00 C ATOM 320 NE ARG A 23 -3.432 9.874 -2.691 1.00 0.00 N ATOM 321 CZ ARG A 23 -3.394 10.698 -3.732 1.00 0.00 C ATOM 322 NH1 ARG A 23 -3.462 10.217 -4.966 1.00 0.00 N ATOM 323 NH2 ARG A 23 -3.286 12.007 -3.540 1.00 0.00 N ATOM 0 H ARG A 23 -4.297 4.658 -5.975 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.132 7.615 -5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.761 6.259 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.275 5.952 -3.421 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.160 8.749 -4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.648 7.987 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.467 7.970 -1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.720 8.043 -3.409 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.376 10.276 -1.755 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.544 9.212 -5.118 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.433 10.852 -5.763 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.232 12.381 -2.592 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.257 12.639 -4.340 1.00 0.00 H new ATOM 337 N GLY A 24 -1.714 7.531 -5.438 1.00 0.00 N ATOM 338 CA GLY A 24 -0.281 7.478 -5.212 1.00 0.00 C ATOM 339 C GLY A 24 0.131 8.181 -3.934 1.00 0.00 C ATOM 340 O GLY A 24 0.055 9.405 -3.838 1.00 0.00 O ATOM 0 H GLY A 24 -2.054 8.411 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.039 6.437 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.234 7.935 -6.057 1.00 0.00 H new ATOM 344 N VAL A 25 0.567 7.403 -2.948 1.00 0.00 N ATOM 345 CA VAL A 25 0.993 7.958 -1.668 1.00 0.00 C ATOM 346 C VAL A 25 2.463 7.659 -1.401 1.00 0.00 C ATOM 347 O VAL A 25 2.968 6.599 -1.770 1.00 0.00 O ATOM 348 CB VAL A 25 0.148 7.403 -0.506 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.449 8.154 0.780 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.334 7.476 -0.843 1.00 0.00 C ATOM 0 H VAL A 25 0.635 6.387 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 25 0.850 9.037 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 25 0.412 6.356 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.158 7.747 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.505 8.044 1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.216 9.211 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.916 7.080 -0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.616 8.514 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.533 6.887 -1.738 1.00 0.00 H new ATOM 360 N MET A 26 3.145 8.601 -0.757 1.00 0.00 N ATOM 361 CA MET A 26 4.559 8.437 -0.440 1.00 0.00 C ATOM 362 C MET A 26 4.763 8.280 1.064 1.00 0.00 C ATOM 363 O MET A 26 4.369 9.143 1.847 1.00 0.00 O ATOM 364 CB MET A 26 5.362 9.634 -0.952 1.00 0.00 C ATOM 365 CG MET A 26 5.222 9.862 -2.449 1.00 0.00 C ATOM 366 SD MET A 26 6.521 10.921 -3.114 1.00 0.00 S ATOM 367 CE MET A 26 7.944 9.841 -2.970 1.00 0.00 C ATOM 0 H MET A 26 2.742 9.484 -0.445 1.00 0.00 H new ATOM 0 HA MET A 26 4.914 7.533 -0.935 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.039 10.531 -0.424 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.415 9.485 -0.712 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.244 8.901 -2.963 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.251 10.312 -2.655 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.659 10.273 -2.270 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.624 8.865 -2.606 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.415 9.728 -3.946 1.00 0.00 H new ATOM 377 N ALA A 27 5.382 7.172 1.461 1.00 0.00 N ATOM 378 CA ALA A 27 5.639 6.904 2.870 1.00 0.00 C ATOM 379 C ALA A 27 6.993 6.228 3.063 1.00 0.00 C ATOM 380 O ALA A 27 7.420 5.427 2.232 1.00 0.00 O ATOM 381 CB ALA A 27 4.530 6.043 3.455 1.00 0.00 C ATOM 0 H ALA A 27 5.714 6.446 0.826 1.00 0.00 H new ATOM 0 HA ALA A 27 5.660 7.858 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.736 5.851 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.577 6.563 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.482 5.097 2.916 1.00 0.00 H new ATOM 387 N SER A 28 7.663 6.558 4.161 1.00 0.00 N ATOM 388 CA SER A 28 8.972 5.987 4.460 1.00 0.00 C ATOM 389 C SER A 28 8.843 4.522 4.867 1.00 0.00 C ATOM 390 O SER A 28 9.623 3.674 4.432 1.00 0.00 O ATOM 391 CB SER A 28 9.656 6.780 5.574 1.00 0.00 C ATOM 392 OG SER A 28 9.035 6.543 6.825 1.00 0.00 O ATOM 0 H SER A 28 7.322 7.218 4.860 1.00 0.00 H new ATOM 0 HA SER A 28 9.582 6.044 3.558 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.709 6.502 5.629 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.619 7.844 5.342 1.00 0.00 H new ATOM 0 HG SER A 28 9.492 7.060 7.520 1.00 0.00 H new ATOM 398 N SER A 29 7.854 4.232 5.707 1.00 0.00 N ATOM 399 CA SER A 29 7.625 2.871 6.177 1.00 0.00 C ATOM 400 C SER A 29 6.208 2.413 5.846 1.00 0.00 C ATOM 401 O SER A 29 5.454 3.122 5.179 1.00 0.00 O ATOM 402 CB SER A 29 7.862 2.783 7.686 1.00 0.00 C ATOM 403 OG SER A 29 9.035 3.484 8.059 1.00 0.00 O ATOM 0 H SER A 29 7.199 4.921 6.076 1.00 0.00 H new ATOM 0 HA SER A 29 8.329 2.214 5.667 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.004 3.195 8.217 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.949 1.738 7.983 1.00 0.00 H new ATOM 0 HG SER A 29 9.164 3.414 9.028 1.00 0.00 H new ATOM 409 N LEU A 30 5.853 1.222 6.318 1.00 0.00 N ATOM 410 CA LEU A 30 4.526 0.667 6.073 1.00 0.00 C ATOM 411 C LEU A 30 3.478 1.359 6.939 1.00 0.00 C ATOM 412 O LEU A 30 2.556 1.992 6.427 1.00 0.00 O ATOM 413 CB LEU A 30 4.521 -0.837 6.349 1.00 0.00 C ATOM 414 CG LEU A 30 3.148 -1.506 6.395 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.744 -1.992 5.012 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.150 -2.660 7.387 1.00 0.00 C ATOM 0 H LEU A 30 6.465 0.623 6.872 1.00 0.00 H new ATOM 0 HA LEU A 30 4.275 0.838 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.117 -1.329 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.021 -1.013 7.302 1.00 0.00 H new ATOM 0 HG LEU A 30 2.417 -0.768 6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.764 -2.466 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.702 -1.145 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.477 -2.714 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.164 -3.125 7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.893 -3.398 7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.394 -2.285 8.381 1.00 0.00 H new ATOM 428 N GLN A 31 3.629 1.234 8.254 1.00 0.00 N ATOM 429 CA GLN A 31 2.696 1.848 9.192 1.00 0.00 C ATOM 430 C GLN A 31 2.289 3.239 8.720 1.00 0.00 C ATOM 431 O GLN A 31 1.122 3.620 8.815 1.00 0.00 O ATOM 432 CB GLN A 31 3.322 1.931 10.585 1.00 0.00 C ATOM 433 CG GLN A 31 2.492 2.730 11.577 1.00 0.00 C ATOM 434 CD GLN A 31 1.349 1.923 12.163 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.544 0.807 12.644 1.00 0.00 O ATOM 436 NE2 GLN A 31 0.147 2.487 12.126 1.00 0.00 N ATOM 0 H GLN A 31 4.388 0.713 8.694 1.00 0.00 H new ATOM 0 HA GLN A 31 1.803 1.225 9.240 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.463 0.922 10.972 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.311 2.383 10.504 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.135 3.081 12.384 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.091 3.614 11.081 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.031 3.414 11.718 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.660 1.993 12.506 1.00 0.00 H new ATOM 445 N GLU A 32 3.258 3.996 8.213 1.00 0.00 N ATOM 446 CA GLU A 32 2.998 5.346 7.729 1.00 0.00 C ATOM 447 C GLU A 32 2.098 5.319 6.497 1.00 0.00 C ATOM 448 O GLU A 32 1.139 6.084 6.397 1.00 0.00 O ATOM 449 CB GLU A 32 4.313 6.055 7.397 1.00 0.00 C ATOM 450 CG GLU A 32 4.126 7.453 6.834 1.00 0.00 C ATOM 451 CD GLU A 32 5.331 8.343 7.072 1.00 0.00 C ATOM 452 OE1 GLU A 32 5.390 8.991 8.137 1.00 0.00 O ATOM 453 OE2 GLU A 32 6.215 8.392 6.191 1.00 0.00 O ATOM 0 H GLU A 32 4.229 3.697 8.127 1.00 0.00 H new ATOM 0 HA GLU A 32 2.486 5.895 8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.922 6.114 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.868 5.454 6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.934 7.387 5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.246 7.909 7.288 1.00 0.00 H new ATOM 460 N LEU A 33 2.415 4.432 5.559 1.00 0.00 N ATOM 461 CA LEU A 33 1.636 4.304 4.333 1.00 0.00 C ATOM 462 C LEU A 33 0.186 3.948 4.643 1.00 0.00 C ATOM 463 O LEU A 33 -0.725 4.737 4.388 1.00 0.00 O ATOM 464 CB LEU A 33 2.252 3.238 3.423 1.00 0.00 C ATOM 465 CG LEU A 33 1.500 2.950 2.124 1.00 0.00 C ATOM 466 CD1 LEU A 33 0.409 1.917 2.357 1.00 0.00 C ATOM 467 CD2 LEU A 33 0.911 4.231 1.552 1.00 0.00 C ATOM 0 H LEU A 33 3.206 3.791 5.625 1.00 0.00 H new ATOM 0 HA LEU A 33 1.652 5.265 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.267 3.546 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.331 2.309 3.987 1.00 0.00 H new ATOM 0 HG LEU A 33 2.207 2.545 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.116 1.725 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.856 0.991 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.296 2.294 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.379 4.006 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.218 4.666 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.713 4.940 1.346 1.00 0.00 H new ATOM 479 N ILE A 34 -0.021 2.757 5.196 1.00 0.00 N ATOM 480 CA ILE A 34 -1.360 2.299 5.543 1.00 0.00 C ATOM 481 C ILE A 34 -2.230 3.457 6.018 1.00 0.00 C ATOM 482 O ILE A 34 -3.276 3.742 5.433 1.00 0.00 O ATOM 483 CB ILE A 34 -1.318 1.220 6.642 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.682 -0.062 6.103 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.718 0.943 7.166 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.429 -1.106 7.168 1.00 0.00 C ATOM 0 H ILE A 34 0.722 2.092 5.413 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.791 1.870 4.639 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.708 1.587 7.468 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.332 -0.486 5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.262 0.187 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.672 0.179 7.942 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.138 1.858 7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.350 0.593 6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.023 -1.987 6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.245 -0.700 7.922 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.373 -1.383 7.637 1.00 0.00 H new ATOM 498 N SER A 35 -1.793 4.125 7.080 1.00 0.00 N ATOM 499 CA SER A 35 -2.533 5.252 7.635 1.00 0.00 C ATOM 500 C SER A 35 -2.835 6.287 6.556 1.00 0.00 C ATOM 501 O SER A 35 -3.950 6.801 6.467 1.00 0.00 O ATOM 502 CB SER A 35 -1.740 5.900 8.772 1.00 0.00 C ATOM 503 OG SER A 35 -2.435 7.013 9.308 1.00 0.00 O ATOM 0 H SER A 35 -0.928 3.905 7.574 1.00 0.00 H new ATOM 0 HA SER A 35 -3.478 4.877 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.560 5.167 9.558 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.765 6.219 8.404 1.00 0.00 H new ATOM 0 HG SER A 35 -1.909 7.409 10.034 1.00 0.00 H new ATOM 509 N LYS A 36 -1.834 6.588 5.736 1.00 0.00 N ATOM 510 CA LYS A 36 -1.990 7.560 4.661 1.00 0.00 C ATOM 511 C LYS A 36 -3.060 7.109 3.671 1.00 0.00 C ATOM 512 O LYS A 36 -4.020 7.834 3.405 1.00 0.00 O ATOM 513 CB LYS A 36 -0.660 7.763 3.933 1.00 0.00 C ATOM 514 CG LYS A 36 0.308 8.669 4.675 1.00 0.00 C ATOM 515 CD LYS A 36 1.656 8.734 3.979 1.00 0.00 C ATOM 516 CE LYS A 36 2.328 10.083 4.188 1.00 0.00 C ATOM 517 NZ LYS A 36 3.188 10.092 5.404 1.00 0.00 N ATOM 0 H LYS A 36 -0.905 6.172 5.796 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.304 8.506 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.189 6.792 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.856 8.184 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.114 9.672 4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.441 8.304 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.301 7.942 4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.525 8.553 2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.932 10.327 3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.567 10.858 4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.394 11.074 5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.693 9.613 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.079 9.595 5.203 1.00 0.00 H new ATOM 531 N THR A 37 -2.890 5.907 3.129 1.00 0.00 N ATOM 532 CA THR A 37 -3.840 5.360 2.170 1.00 0.00 C ATOM 533 C THR A 37 -5.272 5.723 2.546 1.00 0.00 C ATOM 534 O THR A 37 -6.021 6.264 1.731 1.00 0.00 O ATOM 535 CB THR A 37 -3.721 3.828 2.072 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.397 3.465 1.665 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.732 3.268 1.082 1.00 0.00 C ATOM 0 H THR A 37 -2.102 5.294 3.339 1.00 0.00 H new ATOM 0 HA THR A 37 -3.599 5.799 1.202 1.00 0.00 H new ATOM 0 HB THR A 37 -3.928 3.406 3.056 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.329 2.489 1.607 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.629 2.184 1.030 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.740 3.521 1.409 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.552 3.697 0.096 1.00 0.00 H new ATOM 545 N LEU A 38 -5.647 5.426 3.785 1.00 0.00 N ATOM 546 CA LEU A 38 -6.991 5.722 4.270 1.00 0.00 C ATOM 547 C LEU A 38 -7.343 7.188 4.036 1.00 0.00 C ATOM 548 O LEU A 38 -8.320 7.501 3.356 1.00 0.00 O ATOM 549 CB LEU A 38 -7.102 5.389 5.759 1.00 0.00 C ATOM 550 CG LEU A 38 -7.300 3.913 6.104 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.682 3.593 7.457 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.779 3.557 6.095 1.00 0.00 C ATOM 0 H LEU A 38 -5.039 4.980 4.473 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.696 5.105 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.198 5.740 6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.936 5.954 6.176 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.797 3.312 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.833 2.538 7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.614 3.809 7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.156 4.202 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.901 2.503 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.304 4.166 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.193 3.747 5.105 1.00 0.00 H new ATOM 564 N ASP A 39 -6.540 8.081 4.604 1.00 0.00 N ATOM 565 CA ASP A 39 -6.764 9.514 4.455 1.00 0.00 C ATOM 566 C ASP A 39 -6.908 9.892 2.985 1.00 0.00 C ATOM 567 O ASP A 39 -7.757 10.707 2.623 1.00 0.00 O ATOM 568 CB ASP A 39 -5.613 10.301 5.085 1.00 0.00 C ATOM 569 CG ASP A 39 -5.807 10.517 6.574 1.00 0.00 C ATOM 570 OD1 ASP A 39 -6.105 9.534 7.282 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.659 11.670 7.028 1.00 0.00 O ATOM 0 H ASP A 39 -5.728 7.838 5.172 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.691 9.766 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.677 9.768 4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.523 11.267 4.589 1.00 0.00 H new ATOM 576 N ALA A 40 -6.073 9.295 2.140 1.00 0.00 N ATOM 577 CA ALA A 40 -6.109 9.568 0.709 1.00 0.00 C ATOM 578 C ALA A 40 -7.435 9.127 0.099 1.00 0.00 C ATOM 579 O ALA A 40 -8.108 9.905 -0.578 1.00 0.00 O ATOM 580 CB ALA A 40 -4.949 8.875 0.010 1.00 0.00 C ATOM 0 H ALA A 40 -5.363 8.619 2.423 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.014 10.645 0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.989 9.088 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.007 9.241 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.019 7.799 0.169 1.00 0.00 H new ATOM 586 N LEU A 41 -7.806 7.875 0.343 1.00 0.00 N ATOM 587 CA LEU A 41 -9.052 7.330 -0.184 1.00 0.00 C ATOM 588 C LEU A 41 -10.247 7.819 0.628 1.00 0.00 C ATOM 589 O LEU A 41 -11.372 7.359 0.436 1.00 0.00 O ATOM 590 CB LEU A 41 -9.007 5.800 -0.174 1.00 0.00 C ATOM 591 CG LEU A 41 -8.341 5.141 -1.382 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.989 3.694 -1.074 1.00 0.00 C ATOM 593 CD2 LEU A 41 -9.247 5.224 -2.602 1.00 0.00 C ATOM 0 H LEU A 41 -7.262 7.218 0.902 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.166 7.678 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.483 5.478 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.028 5.427 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.419 5.678 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.516 3.241 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.302 3.659 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.897 3.143 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.757 4.750 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.186 4.712 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.448 6.270 -2.836 1.00 0.00 H new ATOM 605 N VAL A 42 -9.994 8.758 1.535 1.00 0.00 N ATOM 606 CA VAL A 42 -11.049 9.314 2.375 1.00 0.00 C ATOM 607 C VAL A 42 -12.077 8.249 2.742 1.00 0.00 C ATOM 608 O VAL A 42 -13.283 8.481 2.661 1.00 0.00 O ATOM 609 CB VAL A 42 -11.767 10.483 1.674 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.816 11.092 2.591 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.761 11.534 1.228 1.00 0.00 C ATOM 0 H VAL A 42 -9.068 9.149 1.707 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.570 9.682 3.282 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.273 10.098 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.313 11.916 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.552 10.333 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.336 11.464 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.285 12.353 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.226 11.917 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.051 11.086 0.533 1.00 0.00 H new ATOM 621 N ILE A 43 -11.590 7.081 3.150 1.00 0.00 N ATOM 622 CA ILE A 43 -12.467 5.981 3.532 1.00 0.00 C ATOM 623 C ILE A 43 -13.319 6.352 4.742 1.00 0.00 C ATOM 624 O ILE A 43 -12.856 7.040 5.651 1.00 0.00 O ATOM 625 CB ILE A 43 -11.663 4.708 3.856 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.841 4.275 2.640 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.596 3.590 4.296 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.865 3.158 2.937 1.00 0.00 C ATOM 0 H ILE A 43 -10.594 6.873 3.224 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.117 5.784 2.679 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.978 4.927 4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.519 3.954 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.291 5.135 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.013 2.697 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.142 3.901 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.302 3.370 3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.317 2.903 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.163 3.483 3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.410 2.283 3.290 1.00 0.00 H new ATOM 640 N ALA A 44 -14.564 5.890 4.745 1.00 0.00 N ATOM 641 CA ALA A 44 -15.479 6.169 5.844 1.00 0.00 C ATOM 642 C ALA A 44 -14.976 5.556 7.147 1.00 0.00 C ATOM 643 O ALA A 44 -14.895 6.233 8.173 1.00 0.00 O ATOM 644 CB ALA A 44 -16.871 5.648 5.517 1.00 0.00 C ATOM 0 H ALA A 44 -14.962 5.321 3.998 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.529 7.250 5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.544 5.863 6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.239 6.136 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.828 4.571 5.355 1.00 0.00 H new ATOM 650 N THR A 45 -14.640 4.271 7.100 1.00 0.00 N ATOM 651 CA THR A 45 -14.147 3.566 8.277 1.00 0.00 C ATOM 652 C THR A 45 -12.626 3.461 8.257 1.00 0.00 C ATOM 653 O THR A 45 -12.003 3.538 7.199 1.00 0.00 O ATOM 654 CB THR A 45 -14.747 2.152 8.378 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.274 1.501 9.563 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.383 1.320 7.157 1.00 0.00 C ATOM 0 H THR A 45 -14.700 3.697 6.259 1.00 0.00 H new ATOM 0 HA THR A 45 -14.457 4.146 9.146 1.00 0.00 H new ATOM 0 HB THR A 45 -15.832 2.246 8.424 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.662 0.603 9.620 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.818 0.325 7.252 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.771 1.802 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.299 1.236 7.084 1.00 0.00 H new ATOM 664 N GLY A 46 -12.035 3.283 9.434 1.00 0.00 N ATOM 665 CA GLY A 46 -10.591 3.168 9.529 1.00 0.00 C ATOM 666 C GLY A 46 -10.108 1.745 9.339 1.00 0.00 C ATOM 667 O GLY A 46 -9.053 1.512 8.749 1.00 0.00 O ATOM 0 H GLY A 46 -12.530 3.216 10.323 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.129 3.808 8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.264 3.532 10.503 1.00 0.00 H new ATOM 671 N LEU A 47 -10.880 0.789 9.844 1.00 0.00 N ATOM 672 CA LEU A 47 -10.525 -0.622 9.728 1.00 0.00 C ATOM 673 C LEU A 47 -10.368 -1.026 8.266 1.00 0.00 C ATOM 674 O LEU A 47 -11.335 -1.033 7.504 1.00 0.00 O ATOM 675 CB LEU A 47 -11.590 -1.493 10.398 1.00 0.00 C ATOM 676 CG LEU A 47 -11.210 -2.956 10.634 1.00 0.00 C ATOM 677 CD1 LEU A 47 -10.747 -3.603 9.338 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.127 -3.059 11.700 1.00 0.00 C ATOM 0 H LEU A 47 -11.755 0.965 10.337 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.570 -0.773 10.232 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.845 -1.045 11.358 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.491 -1.467 9.785 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.093 -3.489 10.987 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.481 -4.643 9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.551 -3.561 8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.877 -3.069 8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.868 -4.106 11.856 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.243 -2.511 11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.494 -2.633 12.634 1.00 0.00 H new ATOM 690 N VAL A 48 -9.141 -1.365 7.879 1.00 0.00 N ATOM 691 CA VAL A 48 -8.857 -1.774 6.509 1.00 0.00 C ATOM 692 C VAL A 48 -7.696 -2.760 6.460 1.00 0.00 C ATOM 693 O VAL A 48 -6.891 -2.837 7.389 1.00 0.00 O ATOM 694 CB VAL A 48 -8.526 -0.561 5.619 1.00 0.00 C ATOM 695 CG1 VAL A 48 -9.759 0.303 5.412 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.391 0.251 6.226 1.00 0.00 C ATOM 0 H VAL A 48 -8.329 -1.364 8.496 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.757 -2.258 6.129 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.201 -0.926 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.505 1.155 4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.539 -0.286 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.119 0.661 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.170 1.104 5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.685 0.606 7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.503 -0.375 6.316 1.00 0.00 H new ATOM 706 N THR A 49 -7.613 -3.515 5.368 1.00 0.00 N ATOM 707 CA THR A 49 -6.551 -4.497 5.197 1.00 0.00 C ATOM 708 C THR A 49 -5.761 -4.236 3.920 1.00 0.00 C ATOM 709 O THR A 49 -6.313 -4.266 2.818 1.00 0.00 O ATOM 710 CB THR A 49 -7.112 -5.931 5.155 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.769 -6.236 6.390 1.00 0.00 O ATOM 712 CG2 THR A 49 -6.003 -6.939 4.901 1.00 0.00 C ATOM 0 H THR A 49 -8.270 -3.464 4.589 1.00 0.00 H new ATOM 0 HA THR A 49 -5.889 -4.399 6.058 1.00 0.00 H new ATOM 0 HB THR A 49 -7.830 -5.993 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.124 -7.149 6.355 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.424 -7.944 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.525 -6.721 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.264 -6.875 5.699 1.00 0.00 H new ATOM 720 N LEU A 50 -4.467 -3.979 4.072 1.00 0.00 N ATOM 721 CA LEU A 50 -3.600 -3.711 2.930 1.00 0.00 C ATOM 722 C LEU A 50 -2.963 -5.000 2.417 1.00 0.00 C ATOM 723 O LEU A 50 -2.437 -5.797 3.193 1.00 0.00 O ATOM 724 CB LEU A 50 -2.510 -2.709 3.314 1.00 0.00 C ATOM 725 CG LEU A 50 -1.793 -2.020 2.152 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.740 -1.085 1.418 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.573 -1.260 2.655 1.00 0.00 C ATOM 0 H LEU A 50 -3.994 -3.950 4.976 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.211 -3.285 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.956 -1.941 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.765 -3.226 3.919 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.458 -2.785 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.211 -0.604 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.582 -1.655 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.107 -0.324 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.074 -0.776 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.886 -0.505 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.116 -1.955 3.134 1.00 0.00 H new ATOM 739 N VAL A 51 -3.012 -5.196 1.103 1.00 0.00 N ATOM 740 CA VAL A 51 -2.438 -6.386 0.486 1.00 0.00 C ATOM 741 C VAL A 51 -1.742 -6.042 -0.827 1.00 0.00 C ATOM 742 O VAL A 51 -1.852 -4.921 -1.326 1.00 0.00 O ATOM 743 CB VAL A 51 -3.515 -7.455 0.218 1.00 0.00 C ATOM 744 CG1 VAL A 51 -4.250 -7.805 1.504 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.487 -6.977 -0.848 1.00 0.00 C ATOM 0 H VAL A 51 -3.443 -4.546 0.446 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.707 -6.786 1.189 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.024 -8.356 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.007 -8.561 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.540 -8.193 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.730 -6.912 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.240 -7.745 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.974 -6.061 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.945 -6.782 -1.773 1.00 0.00 H new ATOM 755 N LEU A 52 -1.025 -7.013 -1.381 1.00 0.00 N ATOM 756 CA LEU A 52 -0.311 -6.814 -2.637 1.00 0.00 C ATOM 757 C LEU A 52 -1.264 -6.897 -3.826 1.00 0.00 C ATOM 758 O LEU A 52 -2.095 -7.801 -3.905 1.00 0.00 O ATOM 759 CB LEU A 52 0.799 -7.856 -2.787 1.00 0.00 C ATOM 760 CG LEU A 52 2.060 -7.618 -1.956 1.00 0.00 C ATOM 761 CD1 LEU A 52 3.020 -8.788 -2.095 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.735 -6.319 -2.372 1.00 0.00 C ATOM 0 H LEU A 52 -0.923 -7.946 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 52 0.133 -5.818 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.392 -8.832 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.084 -7.905 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 52 1.771 -7.535 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.911 -8.600 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.535 -9.700 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.303 -8.904 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.631 -6.165 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.010 -6.373 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.048 -5.487 -2.219 1.00 0.00 H new ATOM 774 N GLU A 53 -1.136 -5.948 -4.748 1.00 0.00 N ATOM 775 CA GLU A 53 -1.986 -5.915 -5.932 1.00 0.00 C ATOM 776 C GLU A 53 -1.471 -6.878 -6.998 1.00 0.00 C ATOM 777 O GLU A 53 -1.870 -6.803 -8.160 1.00 0.00 O ATOM 778 CB GLU A 53 -2.053 -4.496 -6.500 1.00 0.00 C ATOM 779 CG GLU A 53 -3.191 -3.665 -5.931 1.00 0.00 C ATOM 780 CD GLU A 53 -4.469 -3.797 -6.735 1.00 0.00 C ATOM 781 OE1 GLU A 53 -4.381 -4.125 -7.937 1.00 0.00 O ATOM 782 OE2 GLU A 53 -5.556 -3.571 -6.164 1.00 0.00 O ATOM 0 H GLU A 53 -0.452 -5.193 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.988 -6.228 -5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.109 -3.989 -6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.162 -4.552 -7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.380 -3.971 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.891 -2.617 -5.902 1.00 0.00 H new ATOM 789 N GLU A 54 -0.582 -7.780 -6.593 1.00 0.00 N ATOM 790 CA GLU A 54 -0.012 -8.756 -7.514 1.00 0.00 C ATOM 791 C GLU A 54 -0.398 -10.175 -7.110 1.00 0.00 C ATOM 792 O GLU A 54 -0.733 -11.004 -7.957 1.00 0.00 O ATOM 793 CB GLU A 54 1.512 -8.622 -7.554 1.00 0.00 C ATOM 794 CG GLU A 54 2.171 -8.770 -6.193 1.00 0.00 C ATOM 795 CD GLU A 54 3.673 -8.954 -6.290 1.00 0.00 C ATOM 796 OE1 GLU A 54 4.119 -10.099 -6.515 1.00 0.00 O ATOM 797 OE2 GLU A 54 4.404 -7.952 -6.141 1.00 0.00 O ATOM 0 H GLU A 54 -0.242 -7.855 -5.634 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.414 -8.558 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.917 -9.376 -8.229 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.772 -7.649 -7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.955 -7.888 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.737 -9.624 -5.674 1.00 0.00 H new ATOM 804 N ASP A 55 -0.349 -10.448 -5.811 1.00 0.00 N ATOM 805 CA ASP A 55 -0.694 -11.767 -5.293 1.00 0.00 C ATOM 806 C ASP A 55 -1.766 -11.664 -4.212 1.00 0.00 C ATOM 807 O ASP A 55 -2.345 -12.668 -3.800 1.00 0.00 O ATOM 808 CB ASP A 55 0.549 -12.460 -4.732 1.00 0.00 C ATOM 809 CG ASP A 55 1.288 -13.264 -5.783 1.00 0.00 C ATOM 810 OD1 ASP A 55 1.655 -12.681 -6.826 1.00 0.00 O ATOM 811 OD2 ASP A 55 1.500 -14.475 -5.564 1.00 0.00 O ATOM 0 H ASP A 55 -0.074 -9.773 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.091 -12.361 -6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.221 -11.711 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.256 -13.119 -3.914 1.00 0.00 H new ATOM 816 N GLY A 56 -2.024 -10.442 -3.757 1.00 0.00 N ATOM 817 CA GLY A 56 -3.024 -10.229 -2.728 1.00 0.00 C ATOM 818 C GLY A 56 -2.517 -10.586 -1.344 1.00 0.00 C ATOM 819 O GLY A 56 -3.304 -10.766 -0.414 1.00 0.00 O ATOM 0 H GLY A 56 -1.558 -9.595 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.336 -9.185 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.907 -10.827 -2.954 1.00 0.00 H new ATOM 823 N THR A 57 -1.199 -10.691 -1.208 1.00 0.00 N ATOM 824 CA THR A 57 -0.587 -11.032 0.071 1.00 0.00 C ATOM 825 C THR A 57 -0.731 -9.889 1.070 1.00 0.00 C ATOM 826 O THR A 57 -0.407 -8.741 0.766 1.00 0.00 O ATOM 827 CB THR A 57 0.906 -11.372 -0.093 1.00 0.00 C ATOM 828 OG1 THR A 57 1.075 -12.345 -1.130 1.00 0.00 O ATOM 829 CG2 THR A 57 1.485 -11.905 1.208 1.00 0.00 C ATOM 0 H THR A 57 -0.534 -10.545 -1.968 1.00 0.00 H new ATOM 0 HA THR A 57 -1.111 -11.910 0.449 1.00 0.00 H new ATOM 0 HB THR A 57 1.437 -10.459 -0.362 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.027 -12.555 -1.230 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.540 -12.138 1.068 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.380 -11.151 1.989 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.950 -12.808 1.502 1.00 0.00 H new ATOM 837 N VAL A 58 -1.216 -10.211 2.265 1.00 0.00 N ATOM 838 CA VAL A 58 -1.398 -9.211 3.311 1.00 0.00 C ATOM 839 C VAL A 58 -0.064 -8.611 3.738 1.00 0.00 C ATOM 840 O VAL A 58 0.815 -9.315 4.236 1.00 0.00 O ATOM 841 CB VAL A 58 -2.097 -9.812 4.545 1.00 0.00 C ATOM 842 CG1 VAL A 58 -2.201 -8.777 5.656 1.00 0.00 C ATOM 843 CG2 VAL A 58 -3.472 -10.346 4.171 1.00 0.00 C ATOM 0 H VAL A 58 -1.490 -11.156 2.533 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.027 -8.426 2.892 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.497 -10.645 4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.697 -9.219 6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.202 -8.447 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.778 -7.922 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.952 -10.767 5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.083 -9.533 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.367 -11.121 3.411 1.00 0.00 H new ATOM 853 N VAL A 59 0.083 -7.305 3.538 1.00 0.00 N ATOM 854 CA VAL A 59 1.311 -6.609 3.904 1.00 0.00 C ATOM 855 C VAL A 59 1.122 -5.794 5.178 1.00 0.00 C ATOM 856 O VAL A 59 0.825 -4.600 5.125 1.00 0.00 O ATOM 857 CB VAL A 59 1.783 -5.674 2.774 1.00 0.00 C ATOM 858 CG1 VAL A 59 2.937 -4.804 3.249 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.182 -6.481 1.549 1.00 0.00 C ATOM 0 H VAL A 59 -0.633 -6.708 3.125 1.00 0.00 H new ATOM 0 HA VAL A 59 2.070 -7.373 4.075 1.00 0.00 H new ATOM 0 HB VAL A 59 0.957 -5.020 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.257 -4.150 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.612 -4.199 4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.769 -5.438 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.513 -5.805 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.994 -7.160 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.326 -7.057 1.198 1.00 0.00 H new ATOM 869 N ASP A 60 1.295 -6.446 6.322 1.00 0.00 N ATOM 870 CA ASP A 60 1.145 -5.781 7.612 1.00 0.00 C ATOM 871 C ASP A 60 2.428 -5.887 8.430 1.00 0.00 C ATOM 872 O ASP A 60 2.389 -6.041 9.651 1.00 0.00 O ATOM 873 CB ASP A 60 -0.023 -6.390 8.391 1.00 0.00 C ATOM 874 CG ASP A 60 -1.337 -5.692 8.102 1.00 0.00 C ATOM 875 OD1 ASP A 60 -1.470 -5.108 7.006 1.00 0.00 O ATOM 876 OD2 ASP A 60 -2.232 -5.729 8.972 1.00 0.00 O ATOM 0 H ASP A 60 1.539 -7.434 6.383 1.00 0.00 H new ATOM 0 HA ASP A 60 0.939 -4.727 7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.113 -7.447 8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.188 -6.334 9.459 1.00 0.00 H new ATOM 881 N THR A 61 3.567 -5.804 7.749 1.00 0.00 N ATOM 882 CA THR A 61 4.862 -5.891 8.412 1.00 0.00 C ATOM 883 C THR A 61 5.854 -4.901 7.813 1.00 0.00 C ATOM 884 O THR A 61 5.749 -4.533 6.644 1.00 0.00 O ATOM 885 CB THR A 61 5.449 -7.312 8.311 1.00 0.00 C ATOM 886 OG1 THR A 61 5.330 -7.798 6.969 1.00 0.00 O ATOM 887 CG2 THR A 61 4.737 -8.260 9.265 1.00 0.00 C ATOM 0 H THR A 61 3.618 -5.677 6.738 1.00 0.00 H new ATOM 0 HA THR A 61 4.697 -5.646 9.461 1.00 0.00 H new ATOM 0 HB THR A 61 6.502 -7.267 8.587 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.707 -8.701 6.913 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.168 -9.257 9.176 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.855 -7.903 10.288 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.677 -8.300 9.015 1.00 0.00 H new ATOM 895 N GLU A 62 6.818 -4.474 8.623 1.00 0.00 N ATOM 896 CA GLU A 62 7.829 -3.525 8.172 1.00 0.00 C ATOM 897 C GLU A 62 8.949 -4.239 7.421 1.00 0.00 C ATOM 898 O GLU A 62 9.552 -3.678 6.507 1.00 0.00 O ATOM 899 CB GLU A 62 8.407 -2.758 9.363 1.00 0.00 C ATOM 900 CG GLU A 62 9.550 -1.828 8.991 1.00 0.00 C ATOM 901 CD GLU A 62 10.484 -1.557 10.154 1.00 0.00 C ATOM 902 OE1 GLU A 62 11.219 -2.484 10.554 1.00 0.00 O ATOM 903 OE2 GLU A 62 10.480 -0.417 10.665 1.00 0.00 O ATOM 0 H GLU A 62 6.920 -4.770 9.594 1.00 0.00 H new ATOM 0 HA GLU A 62 7.351 -2.820 7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.613 -2.175 9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.758 -3.472 10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.117 -2.266 8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.142 -0.884 8.630 1.00 0.00 H new ATOM 910 N GLU A 63 9.220 -5.480 7.814 1.00 0.00 N ATOM 911 CA GLU A 63 10.267 -6.270 7.178 1.00 0.00 C ATOM 912 C GLU A 63 9.921 -6.562 5.721 1.00 0.00 C ATOM 913 O GLU A 63 10.786 -6.525 4.846 1.00 0.00 O ATOM 914 CB GLU A 63 10.478 -7.582 7.936 1.00 0.00 C ATOM 915 CG GLU A 63 10.869 -7.389 9.392 1.00 0.00 C ATOM 916 CD GLU A 63 11.706 -8.535 9.928 1.00 0.00 C ATOM 917 OE1 GLU A 63 11.138 -9.621 10.167 1.00 0.00 O ATOM 918 OE2 GLU A 63 12.926 -8.345 10.109 1.00 0.00 O ATOM 0 H GLU A 63 8.729 -5.959 8.569 1.00 0.00 H new ATOM 0 HA GLU A 63 11.190 -5.690 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.561 -8.170 7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.253 -8.161 7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.426 -6.458 9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.967 -7.289 9.996 1.00 0.00 H new ATOM 925 N PHE A 64 8.649 -6.851 5.468 1.00 0.00 N ATOM 926 CA PHE A 64 8.187 -7.151 4.117 1.00 0.00 C ATOM 927 C PHE A 64 7.995 -5.869 3.311 1.00 0.00 C ATOM 928 O PHE A 64 8.130 -5.866 2.088 1.00 0.00 O ATOM 929 CB PHE A 64 6.875 -7.936 4.167 1.00 0.00 C ATOM 930 CG PHE A 64 6.457 -8.491 2.836 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.371 -9.147 2.027 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.152 -8.354 2.391 1.00 0.00 C ATOM 933 CE1 PHE A 64 6.990 -9.660 0.801 1.00 0.00 C ATOM 934 CE2 PHE A 64 4.766 -8.865 1.166 1.00 0.00 C ATOM 935 CZ PHE A 64 5.685 -9.517 0.369 1.00 0.00 C ATOM 0 H PHE A 64 7.920 -6.884 6.180 1.00 0.00 H new ATOM 0 HA PHE A 64 8.947 -7.758 3.626 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.979 -8.756 4.877 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.086 -7.286 4.544 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.393 -9.259 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.428 -7.842 3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.711 -10.172 0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.745 -8.754 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.385 -9.914 -0.589 1.00 0.00 H new ATOM 945 N PHE A 65 7.681 -4.781 4.007 1.00 0.00 N ATOM 946 CA PHE A 65 7.468 -3.493 3.356 1.00 0.00 C ATOM 947 C PHE A 65 8.798 -2.864 2.950 1.00 0.00 C ATOM 948 O PHE A 65 8.927 -2.313 1.858 1.00 0.00 O ATOM 949 CB PHE A 65 6.708 -2.547 4.288 1.00 0.00 C ATOM 950 CG PHE A 65 6.760 -1.110 3.855 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.907 -0.356 4.045 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.662 -0.512 3.258 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.957 0.967 3.649 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.707 0.810 2.858 1.00 0.00 C ATOM 955 CZ PHE A 65 6.856 1.551 3.054 1.00 0.00 C ATOM 0 H PHE A 65 7.568 -4.765 5.021 1.00 0.00 H new ATOM 0 HA PHE A 65 6.875 -3.661 2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.667 -2.864 4.344 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.121 -2.631 5.293 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.772 -0.808 4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.760 -1.086 3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.857 1.544 3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.844 1.263 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.893 2.585 2.743 1.00 0.00 H new ATOM 965 N GLN A 66 9.784 -2.951 3.838 1.00 0.00 N ATOM 966 CA GLN A 66 11.103 -2.390 3.572 1.00 0.00 C ATOM 967 C GLN A 66 11.694 -2.974 2.293 1.00 0.00 C ATOM 968 O GLN A 66 12.485 -2.324 1.609 1.00 0.00 O ATOM 969 CB GLN A 66 12.040 -2.656 4.751 1.00 0.00 C ATOM 970 CG GLN A 66 11.798 -1.740 5.940 1.00 0.00 C ATOM 971 CD GLN A 66 12.242 -0.315 5.679 1.00 0.00 C ATOM 972 OE1 GLN A 66 13.415 -0.058 5.400 1.00 0.00 O ATOM 973 NE2 GLN A 66 11.306 0.623 5.766 1.00 0.00 N ATOM 0 H GLN A 66 9.694 -3.404 4.747 1.00 0.00 H new ATOM 0 HA GLN A 66 10.994 -1.313 3.441 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.923 -3.691 5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.071 -2.540 4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.737 -1.746 6.188 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.331 -2.129 6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.347 0.366 6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.546 1.600 5.599 1.00 0.00 H new ATOM 982 N THR A 67 11.309 -4.206 1.977 1.00 0.00 N ATOM 983 CA THR A 67 11.803 -4.879 0.782 1.00 0.00 C ATOM 984 C THR A 67 11.100 -4.364 -0.469 1.00 0.00 C ATOM 985 O THR A 67 11.708 -4.256 -1.534 1.00 0.00 O ATOM 986 CB THR A 67 11.609 -6.404 0.875 1.00 0.00 C ATOM 987 OG1 THR A 67 10.222 -6.712 1.050 1.00 0.00 O ATOM 988 CG2 THR A 67 12.412 -6.982 2.032 1.00 0.00 C ATOM 0 H THR A 67 10.656 -4.759 2.532 1.00 0.00 H new ATOM 0 HA THR A 67 12.868 -4.660 0.713 1.00 0.00 H new ATOM 0 HB THR A 67 11.965 -6.851 -0.053 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.746 -5.914 1.361 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.259 -8.060 2.078 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.471 -6.771 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.082 -6.529 2.967 1.00 0.00 H new ATOM 996 N LEU A 68 9.817 -4.049 -0.332 1.00 0.00 N ATOM 997 CA LEU A 68 9.031 -3.544 -1.453 1.00 0.00 C ATOM 998 C LEU A 68 9.787 -2.451 -2.201 1.00 0.00 C ATOM 999 O LEU A 68 10.439 -1.604 -1.591 1.00 0.00 O ATOM 1000 CB LEU A 68 7.688 -3.003 -0.956 1.00 0.00 C ATOM 1001 CG LEU A 68 6.801 -3.996 -0.206 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.581 -3.292 0.369 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.380 -5.135 -1.123 1.00 0.00 C ATOM 0 H LEU A 68 9.299 -4.134 0.543 1.00 0.00 H new ATOM 0 HA LEU A 68 8.852 -4.371 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.881 -2.153 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.131 -2.625 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 68 7.376 -4.416 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.961 -4.014 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.903 -2.513 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.004 -2.844 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.749 -5.832 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.823 -4.734 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.266 -5.657 -1.486 1.00 0.00 H new ATOM 1015 N GLY A 69 9.694 -2.475 -3.527 1.00 0.00 N ATOM 1016 CA GLY A 69 10.373 -1.480 -4.337 1.00 0.00 C ATOM 1017 C GLY A 69 9.621 -0.165 -4.389 1.00 0.00 C ATOM 1018 O GLY A 69 8.927 0.199 -3.440 1.00 0.00 O ATOM 0 H GLY A 69 9.161 -3.166 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.372 -1.309 -3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.498 -1.864 -5.349 1.00 0.00 H new ATOM 1022 N ASP A 70 9.761 0.551 -5.500 1.00 0.00 N ATOM 1023 CA ASP A 70 9.091 1.834 -5.672 1.00 0.00 C ATOM 1024 C ASP A 70 7.804 1.671 -6.475 1.00 0.00 C ATOM 1025 O ASP A 70 7.629 0.687 -7.192 1.00 0.00 O ATOM 1026 CB ASP A 70 10.019 2.829 -6.370 1.00 0.00 C ATOM 1027 CG ASP A 70 11.193 3.234 -5.500 1.00 0.00 C ATOM 1028 OD1 ASP A 70 11.541 2.466 -4.580 1.00 0.00 O ATOM 1029 OD2 ASP A 70 11.763 4.319 -5.739 1.00 0.00 O ATOM 0 H ASP A 70 10.333 0.264 -6.295 1.00 0.00 H new ATOM 0 HA ASP A 70 8.836 2.218 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.391 2.387 -7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.452 3.718 -6.647 1.00 0.00 H new ATOM 1034 N ASN A 71 6.906 2.643 -6.347 1.00 0.00 N ATOM 1035 CA ASN A 71 5.634 2.607 -7.060 1.00 0.00 C ATOM 1036 C ASN A 71 4.985 1.231 -6.943 1.00 0.00 C ATOM 1037 O ASN A 71 4.453 0.697 -7.918 1.00 0.00 O ATOM 1038 CB ASN A 71 5.840 2.962 -8.534 1.00 0.00 C ATOM 1039 CG ASN A 71 6.937 2.138 -9.179 1.00 0.00 C ATOM 1040 OD1 ASN A 71 6.755 0.952 -9.460 1.00 0.00 O ATOM 1041 ND2 ASN A 71 8.085 2.762 -9.417 1.00 0.00 N ATOM 0 H ASN A 71 7.036 3.465 -5.757 1.00 0.00 H new ATOM 0 HA ASN A 71 4.971 3.343 -6.606 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.907 2.808 -9.076 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.087 4.020 -8.619 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.859 2.258 -9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.192 3.745 -9.168 1.00 0.00 H new ATOM 1048 N THR A 72 5.030 0.661 -5.743 1.00 0.00 N ATOM 1049 CA THR A 72 4.446 -0.652 -5.498 1.00 0.00 C ATOM 1050 C THR A 72 2.928 -0.568 -5.387 1.00 0.00 C ATOM 1051 O THR A 72 2.397 0.194 -4.578 1.00 0.00 O ATOM 1052 CB THR A 72 5.010 -1.286 -4.212 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.442 -1.257 -4.238 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.529 -2.722 -4.061 1.00 0.00 C ATOM 0 H THR A 72 5.465 1.088 -4.925 1.00 0.00 H new ATOM 0 HA THR A 72 4.710 -1.279 -6.350 1.00 0.00 H new ATOM 0 HB THR A 72 4.651 -0.708 -3.361 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.761 -0.449 -3.784 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.940 -3.149 -3.146 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.440 -2.738 -4.012 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.862 -3.309 -4.917 1.00 0.00 H new ATOM 1062 N HIS A 73 2.235 -1.355 -6.203 1.00 0.00 N ATOM 1063 CA HIS A 73 0.777 -1.370 -6.194 1.00 0.00 C ATOM 1064 C HIS A 73 0.248 -2.135 -4.986 1.00 0.00 C ATOM 1065 O HIS A 73 0.802 -3.165 -4.599 1.00 0.00 O ATOM 1066 CB HIS A 73 0.245 -1.999 -7.483 1.00 0.00 C ATOM 1067 CG HIS A 73 0.262 -1.068 -8.655 1.00 0.00 C ATOM 1068 ND1 HIS A 73 1.108 -1.229 -9.733 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -0.471 0.039 -8.918 1.00 0.00 C ATOM 1070 CE1 HIS A 73 0.896 -0.260 -10.605 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -0.058 0.523 -10.135 1.00 0.00 N ATOM 0 H HIS A 73 2.659 -1.990 -6.879 1.00 0.00 H new ATOM 0 HA HIS A 73 0.429 -0.339 -6.130 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.841 -2.880 -7.721 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.776 -2.341 -7.316 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.791 -1.979 -9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.239 0.463 -8.288 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.415 -0.130 -11.543 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.826 -1.626 -4.392 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.429 -2.260 -3.226 1.00 0.00 C ATOM 1082 C PHE A 74 -2.949 -2.299 -3.352 1.00 0.00 C ATOM 1083 O PHE A 74 -3.538 -1.543 -4.123 1.00 0.00 O ATOM 1084 CB PHE A 74 -1.030 -1.514 -1.951 1.00 0.00 C ATOM 1085 CG PHE A 74 0.453 -1.471 -1.719 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.194 -2.641 -1.669 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.107 -0.260 -1.553 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.559 -2.604 -1.456 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.472 -0.218 -1.340 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.199 -1.392 -1.292 1.00 0.00 C ATOM 0 H PHE A 74 -1.297 -0.775 -4.700 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.061 -3.285 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.411 -0.494 -2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.509 -1.991 -1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.699 -3.592 -1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.544 0.661 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.125 -3.523 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.970 0.732 -1.211 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.266 -1.361 -1.127 1.00 0.00 H new ATOM 1100 N MET A 75 -3.577 -3.186 -2.588 1.00 0.00 N ATOM 1101 CA MET A 75 -5.029 -3.323 -2.613 1.00 0.00 C ATOM 1102 C MET A 75 -5.614 -3.169 -1.213 1.00 0.00 C ATOM 1103 O MET A 75 -5.201 -3.856 -0.278 1.00 0.00 O ATOM 1104 CB MET A 75 -5.424 -4.682 -3.196 1.00 0.00 C ATOM 1105 CG MET A 75 -6.864 -5.072 -2.907 1.00 0.00 C ATOM 1106 SD MET A 75 -7.445 -6.414 -3.961 1.00 0.00 S ATOM 1107 CE MET A 75 -8.004 -5.499 -5.395 1.00 0.00 C ATOM 0 H MET A 75 -3.104 -3.820 -1.944 1.00 0.00 H new ATOM 0 HA MET A 75 -5.433 -2.532 -3.245 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.271 -4.664 -4.275 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.761 -5.448 -2.793 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.953 -5.371 -1.863 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.507 -4.202 -3.045 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.859 -6.008 -5.841 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.297 -4.493 -5.093 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.197 -5.438 -6.125 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.576 -2.263 -1.076 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.218 -2.019 0.210 1.00 0.00 C ATOM 1119 C ILE A 76 -8.553 -2.752 0.305 1.00 0.00 C ATOM 1120 O ILE A 76 -9.442 -2.556 -0.524 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.453 -0.515 0.446 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.600 -0.229 1.942 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.685 -0.046 -0.312 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.286 0.065 2.632 1.00 0.00 C ATOM 0 H ILE A 76 -6.928 -1.686 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.542 -2.397 0.977 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.590 0.036 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.270 0.620 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.070 -1.087 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.838 1.019 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.544 -0.220 -1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.558 -0.600 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.466 0.258 3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.621 -0.792 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.824 0.941 2.176 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.686 -3.595 1.324 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.914 -4.355 1.530 1.00 0.00 C ATOM 1138 C LEU A 77 -10.555 -4.003 2.869 1.00 0.00 C ATOM 1139 O LEU A 77 -9.987 -4.269 3.928 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.623 -5.856 1.470 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.790 -6.332 0.280 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.408 -7.794 0.445 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.550 -6.120 -1.022 1.00 0.00 C ATOM 0 H LEU A 77 -7.960 -3.769 2.019 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.612 -4.093 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.107 -6.142 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.573 -6.390 1.459 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.874 -5.742 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.815 -8.114 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.823 -7.917 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.311 -8.401 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.942 -6.464 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.483 -6.684 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.770 -5.060 -1.146 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.741 -3.406 2.812 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.459 -3.018 4.022 1.00 0.00 C ATOM 1157 C GLU A 78 -12.870 -4.248 4.827 1.00 0.00 C ATOM 1158 O GLU A 78 -12.664 -5.383 4.398 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.696 -2.192 3.664 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.372 -0.886 2.957 1.00 0.00 C ATOM 1161 CD GLU A 78 -14.576 -0.290 2.254 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -14.868 -0.709 1.116 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -15.226 0.600 2.844 1.00 0.00 O ATOM 0 H GLU A 78 -12.225 -3.180 1.943 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.791 -2.411 4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.349 -2.788 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.253 -1.974 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.988 -0.169 3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.579 -1.058 2.229 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.451 -4.012 5.999 1.00 0.00 N ATOM 1171 CA LYS A 79 -13.893 -5.097 6.865 1.00 0.00 C ATOM 1172 C LYS A 79 -14.938 -5.961 6.166 1.00 0.00 C ATOM 1173 O LYS A 79 -16.138 -5.707 6.268 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.469 -4.536 8.168 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.001 -5.604 9.108 1.00 0.00 C ATOM 1176 CD LYS A 79 -13.924 -6.092 10.063 1.00 0.00 C ATOM 1177 CE LYS A 79 -13.125 -7.238 9.463 1.00 0.00 C ATOM 1178 NZ LYS A 79 -12.230 -7.876 10.468 1.00 0.00 N ATOM 0 H LYS A 79 -13.626 -3.078 6.370 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.028 -5.719 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.695 -3.965 8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.273 -3.840 7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.840 -5.204 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -15.382 -6.444 8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.253 -5.269 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.384 -6.417 10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.808 -7.985 9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.529 -6.868 8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.703 -8.652 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.561 -7.170 10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.801 -8.252 11.252 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.475 -6.986 5.457 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.383 -7.872 4.753 1.00 0.00 C ATOM 1194 C GLY A 80 -15.109 -7.919 3.263 1.00 0.00 C ATOM 1195 O GLY A 80 -16.035 -8.017 2.458 1.00 0.00 O ATOM 0 H GLY A 80 -13.487 -7.218 5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.299 -8.877 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.409 -7.544 4.920 1.00 0.00 H new ATOM 1199 N GLN A 81 -13.834 -7.847 2.894 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.442 -7.879 1.490 1.00 0.00 C ATOM 1201 C GLN A 81 -12.168 -8.697 1.299 1.00 0.00 C ATOM 1202 O GLN A 81 -11.313 -8.751 2.183 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.233 -6.458 0.965 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.507 -5.631 0.923 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.494 -4.594 -0.183 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -14.609 -4.927 -1.363 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -14.355 -3.328 0.194 1.00 0.00 N ATOM 0 H GLN A 81 -13.055 -7.766 3.548 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.245 -8.353 0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.501 -5.951 1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.810 -6.509 -0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.361 -6.294 0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.643 -5.132 1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.263 -3.098 1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.340 -2.586 -0.506 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.049 -9.335 0.139 1.00 0.00 N ATOM 1217 CA LYS A 82 -10.881 -10.150 -0.170 1.00 0.00 C ATOM 1218 C LYS A 82 -10.226 -9.692 -1.469 1.00 0.00 C ATOM 1219 O LYS A 82 -10.829 -8.962 -2.254 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.276 -11.625 -0.278 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.272 -11.907 -1.389 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.382 -13.396 -1.673 1.00 0.00 C ATOM 1223 CE LYS A 82 -13.557 -13.704 -2.590 1.00 0.00 C ATOM 1224 NZ LYS A 82 -13.318 -13.221 -3.979 1.00 0.00 N ATOM 0 H LYS A 82 -12.748 -9.303 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.162 -10.031 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.379 -12.222 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.702 -11.949 0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.250 -11.515 -1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.966 -11.384 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.459 -13.749 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.499 -13.939 -0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.734 -14.779 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.459 -13.238 -2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.141 -13.450 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.174 -12.191 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.472 -13.685 -4.367 1.00 0.00 H new ATOM 1238 N TRP A 83 -8.991 -10.127 -1.688 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.255 -9.762 -2.893 1.00 0.00 C ATOM 1240 C TRP A 83 -8.596 -10.701 -4.045 1.00 0.00 C ATOM 1241 O TRP A 83 -8.813 -11.895 -3.840 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.749 -9.790 -2.625 1.00 0.00 C ATOM 1243 CG TRP A 83 -5.924 -9.833 -3.875 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.251 -8.792 -4.449 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.685 -10.974 -4.706 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.609 -9.218 -5.587 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -4.859 -10.553 -5.766 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.086 -12.312 -4.656 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.431 -11.421 -6.766 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -5.661 -13.173 -5.650 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -4.839 -12.725 -6.692 1.00 0.00 C ATOM 0 H TRP A 83 -8.478 -10.733 -1.047 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.548 -8.750 -3.174 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.474 -8.908 -2.047 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.512 -10.660 -2.012 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.227 -7.783 -4.065 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.039 -8.635 -6.199 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -6.717 -12.667 -3.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.799 -11.078 -7.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.968 -14.208 -5.623 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.521 -13.423 -7.452 1.00 0.00 H new