USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 733 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 11 CYS SG : rot 143:sc= -1.16! USER MOD Set 1.2: A 14 CYS SG : rot -64:sc= 0.619 USER MOD Set 1.3: A 16 SER OG : rot 96:sc= -0.428 USER MOD Set 1.4: A 54 CYS SG : rot 100:sc= 1.28 USER MOD Set 1.5: A 57 CYS SG : rot -63:sc= 0.0505 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.46! C(o=-1.5!,f=-4.8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 2:sc= 0.321 USER MOD Single : A 73 LYS NZ :NH3+ 145:sc= 0.681 (180deg=0.191) USER MOD Single : A 79 ASN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -144:sc= -0.0111 (180deg=-1.21) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 1.528 0.963 -0.228 1.00 1.00 N ATOM 2 CA MET A 8 2.496 0.719 -1.328 1.00 1.00 C ATOM 3 C MET A 8 2.477 -0.741 -1.766 1.00 1.00 C ATOM 4 O MET A 8 2.437 -1.652 -0.913 1.00 1.00 O ATOM 5 CB MET A 8 3.913 1.114 -0.892 1.00 1.00 C ATOM 6 CG MET A 8 4.250 2.578 -1.128 1.00 1.00 C ATOM 7 SD MET A 8 5.899 3.008 -0.540 1.00 1.00 S ATOM 8 CE MET A 8 6.005 4.716 -1.065 1.00 1.00 C ATOM 0 HA MET A 8 2.198 1.335 -2.176 1.00 1.00 H new ATOM 0 HB2 MET A 8 4.030 0.892 0.169 1.00 1.00 H new ATOM 0 HB3 MET A 8 4.632 0.496 -1.429 1.00 1.00 H new ATOM 0 HG2 MET A 8 4.179 2.797 -2.193 1.00 1.00 H new ATOM 0 HG3 MET A 8 3.513 3.203 -0.624 1.00 1.00 H new ATOM 0 HE1 MET A 8 6.972 5.127 -0.774 1.00 1.00 H new ATOM 0 HE2 MET A 8 5.899 4.771 -2.148 1.00 1.00 H new ATOM 0 HE3 MET A 8 5.209 5.292 -0.593 1.00 1.00 H new ATOM 18 N ALA A 9 2.492 -0.926 -3.107 1.00 1.00 N ATOM 19 CA ALA A 9 2.502 -2.246 -3.763 1.00 1.00 C ATOM 20 C ALA A 9 3.831 -2.484 -4.469 1.00 1.00 C ATOM 21 O ALA A 9 4.383 -1.557 -5.087 1.00 1.00 O ATOM 22 CB ALA A 9 1.344 -2.363 -4.750 1.00 1.00 C ATOM 0 H ALA A 9 2.498 -0.150 -3.768 1.00 1.00 H new ATOM 0 HA ALA A 9 2.379 -3.010 -2.996 1.00 1.00 H new ATOM 0 HB1 ALA A 9 1.368 -3.344 -5.224 1.00 1.00 H new ATOM 0 HB2 ALA A 9 0.400 -2.239 -4.220 1.00 1.00 H new ATOM 0 HB3 ALA A 9 1.436 -1.589 -5.512 1.00 1.00 H new ATOM 28 N LYS A 10 4.318 -3.739 -4.360 1.00 1.00 N ATOM 29 CA LYS A 10 5.586 -4.192 -4.955 1.00 1.00 C ATOM 30 C LYS A 10 5.372 -5.397 -5.857 1.00 1.00 C ATOM 31 O LYS A 10 4.588 -6.304 -5.513 1.00 1.00 O ATOM 32 CB LYS A 10 6.611 -4.548 -3.868 1.00 1.00 C ATOM 33 CG LYS A 10 7.428 -3.365 -3.375 1.00 1.00 C ATOM 34 CD LYS A 10 8.390 -3.776 -2.270 1.00 1.00 C ATOM 35 CE LYS A 10 9.230 -2.602 -1.800 1.00 1.00 C ATOM 36 NZ LYS A 10 10.179 -2.991 -0.721 1.00 1.00 N ATOM 0 H LYS A 10 3.831 -4.474 -3.848 1.00 1.00 H new ATOM 0 HA LYS A 10 5.972 -3.366 -5.553 1.00 1.00 H new ATOM 0 HB2 LYS A 10 6.088 -4.992 -3.022 1.00 1.00 H new ATOM 0 HB3 LYS A 10 7.289 -5.307 -4.258 1.00 1.00 H new ATOM 0 HG2 LYS A 10 7.988 -2.936 -4.206 1.00 1.00 H new ATOM 0 HG3 LYS A 10 6.759 -2.587 -3.006 1.00 1.00 H new ATOM 0 HD2 LYS A 10 7.828 -4.183 -1.429 1.00 1.00 H new ATOM 0 HD3 LYS A 10 9.043 -4.571 -2.631 1.00 1.00 H new ATOM 0 HE2 LYS A 10 9.787 -2.195 -2.643 1.00 1.00 H new ATOM 0 HE3 LYS A 10 8.575 -1.809 -1.438 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 10.733 -2.160 -0.429 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 9.647 -3.356 0.095 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 10.822 -3.729 -1.073 1.00 1.00 H new ATOM 50 N CYS A 11 6.089 -5.390 -7.030 1.00 1.00 N ATOM 51 CA CYS A 11 6.054 -6.492 -8.038 1.00 1.00 C ATOM 52 C CYS A 11 6.911 -7.727 -7.563 1.00 1.00 C ATOM 53 O CYS A 11 8.108 -7.528 -7.272 1.00 1.00 O ATOM 54 CB CYS A 11 6.543 -6.028 -9.437 1.00 1.00 C ATOM 55 SG CYS A 11 6.224 -7.240 -10.780 1.00 1.00 S ATOM 0 H CYS A 11 6.703 -4.620 -7.296 1.00 1.00 H new ATOM 0 HA CYS A 11 5.010 -6.792 -8.127 1.00 1.00 H new ATOM 0 HB2 CYS A 11 6.054 -5.087 -9.688 1.00 1.00 H new ATOM 0 HB3 CYS A 11 7.613 -5.828 -9.389 1.00 1.00 H new ATOM 0 HG CYS A 11 5.896 -6.607 -11.867 1.00 1.00 H new ATOM 60 N PRO A 12 6.320 -9.018 -7.410 1.00 1.00 N ATOM 61 CA PRO A 12 7.125 -10.223 -6.995 1.00 1.00 C ATOM 62 C PRO A 12 8.066 -10.798 -8.118 1.00 1.00 C ATOM 63 O PRO A 12 8.870 -11.704 -7.841 1.00 1.00 O ATOM 64 CB PRO A 12 6.040 -11.254 -6.580 1.00 1.00 C ATOM 65 CG PRO A 12 4.808 -10.898 -7.376 1.00 1.00 C ATOM 66 CD PRO A 12 4.856 -9.393 -7.556 1.00 1.00 C ATOM 0 HA PRO A 12 7.825 -9.970 -6.199 1.00 1.00 H new ATOM 0 HB2 PRO A 12 6.365 -12.272 -6.796 1.00 1.00 H new ATOM 0 HB3 PRO A 12 5.842 -11.203 -5.509 1.00 1.00 H new ATOM 0 HG2 PRO A 12 4.804 -11.408 -8.340 1.00 1.00 H new ATOM 0 HG3 PRO A 12 3.902 -11.201 -6.851 1.00 1.00 H new ATOM 0 HD2 PRO A 12 4.471 -9.101 -8.533 1.00 1.00 H new ATOM 0 HD3 PRO A 12 4.244 -8.888 -6.809 1.00 1.00 H new ATOM 74 N ILE A 13 7.940 -10.221 -9.351 1.00 1.00 N ATOM 75 CA ILE A 13 8.678 -10.641 -10.565 1.00 1.00 C ATOM 76 C ILE A 13 9.935 -9.730 -10.773 1.00 1.00 C ATOM 77 O ILE A 13 11.052 -10.272 -10.858 1.00 1.00 O ATOM 78 CB ILE A 13 7.742 -10.639 -11.884 1.00 1.00 C ATOM 79 CG1 ILE A 13 6.302 -11.196 -11.631 1.00 1.00 C ATOM 80 CG2 ILE A 13 8.360 -11.462 -13.040 1.00 1.00 C ATOM 81 CD1 ILE A 13 5.179 -10.249 -12.033 1.00 1.00 C ATOM 0 H ILE A 13 7.309 -9.438 -9.523 1.00 1.00 H new ATOM 0 HA ILE A 13 9.004 -11.670 -10.412 1.00 1.00 H new ATOM 0 HB ILE A 13 7.674 -9.586 -12.157 1.00 1.00 H new ATOM 0 HG12 ILE A 13 6.186 -12.131 -12.180 1.00 1.00 H new ATOM 0 HG13 ILE A 13 6.199 -11.433 -10.572 1.00 1.00 H new ATOM 0 HG21 ILE A 13 7.696 -11.431 -13.904 1.00 1.00 H new ATOM 0 HG22 ILE A 13 9.327 -11.039 -13.311 1.00 1.00 H new ATOM 0 HG23 ILE A 13 8.492 -12.496 -12.720 1.00 1.00 H new ATOM 0 HD11 ILE A 13 4.217 -10.716 -11.823 1.00 1.00 H new ATOM 0 HD12 ILE A 13 5.264 -9.322 -11.466 1.00 1.00 H new ATOM 0 HD13 ILE A 13 5.251 -10.030 -13.098 1.00 1.00 H new ATOM 93 N CYS A 14 9.720 -8.379 -10.842 1.00 1.00 N ATOM 94 CA CYS A 14 10.808 -7.404 -11.083 1.00 1.00 C ATOM 95 C CYS A 14 11.271 -6.689 -9.798 1.00 1.00 C ATOM 96 O CYS A 14 12.482 -6.450 -9.641 1.00 1.00 O ATOM 97 CB CYS A 14 10.391 -6.403 -12.179 1.00 1.00 C ATOM 98 SG CYS A 14 9.044 -5.238 -11.747 1.00 1.00 S ATOM 0 H CYS A 14 8.800 -7.952 -10.733 1.00 1.00 H new ATOM 0 HA CYS A 14 11.675 -7.963 -11.434 1.00 1.00 H new ATOM 0 HB2 CYS A 14 11.268 -5.821 -12.462 1.00 1.00 H new ATOM 0 HB3 CYS A 14 10.085 -6.968 -13.060 1.00 1.00 H new ATOM 0 HG CYS A 14 7.948 -5.903 -11.532 1.00 1.00 H new ATOM 103 N GLY A 15 10.285 -6.349 -8.913 1.00 1.00 N ATOM 104 CA GLY A 15 10.533 -5.649 -7.630 1.00 1.00 C ATOM 105 C GLY A 15 10.469 -4.120 -7.746 1.00 1.00 C ATOM 106 O GLY A 15 11.168 -3.425 -6.988 1.00 1.00 O ATOM 0 H GLY A 15 9.300 -6.556 -9.077 1.00 1.00 H new ATOM 0 HA2 GLY A 15 9.799 -5.981 -6.896 1.00 1.00 H new ATOM 0 HA3 GLY A 15 11.514 -5.936 -7.252 1.00 1.00 H new ATOM 110 N SER A 16 9.626 -3.625 -8.707 1.00 1.00 N ATOM 111 CA SER A 16 9.447 -2.185 -8.984 1.00 1.00 C ATOM 112 C SER A 16 8.239 -1.567 -8.197 1.00 1.00 C ATOM 113 O SER A 16 7.248 -2.302 -8.012 1.00 1.00 O ATOM 114 CB SER A 16 9.234 -1.959 -10.480 1.00 1.00 C ATOM 115 OG SER A 16 10.420 -2.199 -11.223 1.00 1.00 O ATOM 0 H SER A 16 9.057 -4.225 -9.304 1.00 1.00 H new ATOM 0 HA SER A 16 10.356 -1.686 -8.650 1.00 1.00 H new ATOM 0 HB2 SER A 16 8.442 -2.616 -10.838 1.00 1.00 H new ATOM 0 HB3 SER A 16 8.900 -0.935 -10.649 1.00 1.00 H new ATOM 0 HG SER A 16 10.406 -3.113 -11.576 1.00 1.00 H new ATOM 121 N PRO A 17 8.243 -0.197 -7.718 1.00 1.00 N ATOM 122 CA PRO A 17 7.073 0.414 -6.980 1.00 1.00 C ATOM 123 C PRO A 17 5.807 0.590 -7.847 1.00 1.00 C ATOM 124 O PRO A 17 5.895 1.025 -9.016 1.00 1.00 O ATOM 125 CB PRO A 17 7.585 1.801 -6.520 1.00 1.00 C ATOM 126 CG PRO A 17 9.069 1.697 -6.592 1.00 1.00 C ATOM 127 CD PRO A 17 9.337 0.842 -7.799 1.00 1.00 C ATOM 0 HA PRO A 17 6.765 -0.242 -6.166 1.00 1.00 H new ATOM 0 HB2 PRO A 17 7.212 2.596 -7.166 1.00 1.00 H new ATOM 0 HB3 PRO A 17 7.252 2.031 -5.508 1.00 1.00 H new ATOM 0 HG2 PRO A 17 9.530 2.680 -6.693 1.00 1.00 H new ATOM 0 HG3 PRO A 17 9.478 1.245 -5.688 1.00 1.00 H new ATOM 0 HD2 PRO A 17 9.282 1.417 -8.723 1.00 1.00 H new ATOM 0 HD3 PRO A 17 10.328 0.390 -7.763 1.00 1.00 H new ATOM 135 N LEU A 18 4.667 0.220 -7.236 1.00 1.00 N ATOM 136 CA LEU A 18 3.329 0.294 -7.845 1.00 1.00 C ATOM 137 C LEU A 18 2.405 1.171 -7.013 1.00 1.00 C ATOM 138 O LEU A 18 2.495 1.177 -5.768 1.00 1.00 O ATOM 139 CB LEU A 18 2.705 -1.105 -7.983 1.00 1.00 C ATOM 140 CG LEU A 18 3.220 -1.952 -9.150 1.00 1.00 C ATOM 141 CD1 LEU A 18 3.532 -3.364 -8.681 1.00 1.00 C ATOM 142 CD2 LEU A 18 2.198 -1.977 -10.283 1.00 1.00 C ATOM 0 H LEU A 18 4.651 -0.147 -6.284 1.00 1.00 H new ATOM 0 HA LEU A 18 3.447 0.731 -8.837 1.00 1.00 H new ATOM 0 HB2 LEU A 18 2.879 -1.653 -7.057 1.00 1.00 H new ATOM 0 HB3 LEU A 18 1.626 -0.992 -8.089 1.00 1.00 H new ATOM 0 HG LEU A 18 4.139 -1.502 -9.527 1.00 1.00 H new ATOM 0 HD11 LEU A 18 3.897 -3.954 -9.522 1.00 1.00 H new ATOM 0 HD12 LEU A 18 4.295 -3.329 -7.904 1.00 1.00 H new ATOM 0 HD13 LEU A 18 2.628 -3.823 -8.281 1.00 1.00 H new ATOM 0 HD21 LEU A 18 2.580 -2.583 -11.104 1.00 1.00 H new ATOM 0 HD22 LEU A 18 1.263 -2.405 -9.920 1.00 1.00 H new ATOM 0 HD23 LEU A 18 2.020 -0.961 -10.635 1.00 1.00 H new ATOM 154 N LYS A 19 1.496 1.884 -7.733 1.00 1.00 N ATOM 155 CA LYS A 19 0.502 2.784 -7.133 1.00 1.00 C ATOM 156 C LYS A 19 -0.837 2.066 -6.932 1.00 1.00 C ATOM 157 O LYS A 19 -1.384 1.461 -7.879 1.00 1.00 O ATOM 158 CB LYS A 19 0.320 4.033 -8.013 1.00 1.00 C ATOM 159 CG LYS A 19 0.443 5.343 -7.256 1.00 1.00 C ATOM 160 CD LYS A 19 0.402 6.529 -8.203 1.00 1.00 C ATOM 161 CE LYS A 19 0.516 7.841 -7.450 1.00 1.00 C ATOM 162 NZ LYS A 19 0.479 9.014 -8.366 1.00 1.00 N ATOM 0 H LYS A 19 1.442 1.842 -8.751 1.00 1.00 H new ATOM 0 HA LYS A 19 0.866 3.095 -6.154 1.00 1.00 H new ATOM 0 HB2 LYS A 19 1.063 4.015 -8.811 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -0.660 3.990 -8.489 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -0.367 5.425 -6.531 1.00 1.00 H new ATOM 0 HG3 LYS A 19 1.377 5.355 -6.694 1.00 1.00 H new ATOM 0 HD2 LYS A 19 1.216 6.449 -8.924 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -0.529 6.512 -8.770 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -0.298 7.918 -6.730 1.00 1.00 H new ATOM 0 HE3 LYS A 19 1.446 7.854 -6.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 0.560 9.890 -7.812 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 1.271 8.955 -9.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -0.419 9.017 -8.890 1.00 1.00 H new ATOM 176 N TRP A 20 -1.327 2.114 -5.656 1.00 1.00 N ATOM 177 CA TRP A 20 -2.639 1.530 -5.217 1.00 1.00 C ATOM 178 C TRP A 20 -3.859 2.285 -5.804 1.00 1.00 C ATOM 179 O TRP A 20 -4.941 1.701 -5.939 1.00 1.00 O ATOM 180 CB TRP A 20 -2.717 1.471 -3.690 1.00 1.00 C ATOM 181 CG TRP A 20 -2.130 0.198 -3.115 1.00 1.00 C ATOM 182 CD1 TRP A 20 -0.833 0.011 -2.712 1.00 1.00 C ATOM 183 CD2 TRP A 20 -2.806 -1.068 -2.876 1.00 1.00 C ATOM 184 NE1 TRP A 20 -0.658 -1.272 -2.251 1.00 1.00 N ATOM 185 CE2 TRP A 20 -1.845 -1.949 -2.340 1.00 1.00 C ATOM 186 CE3 TRP A 20 -4.124 -1.553 -3.059 1.00 1.00 C ATOM 187 CZ2 TRP A 20 -2.147 -3.262 -1.994 1.00 1.00 C ATOM 188 CZ3 TRP A 20 -4.412 -2.857 -2.711 1.00 1.00 C ATOM 189 CH2 TRP A 20 -3.428 -3.699 -2.183 1.00 1.00 C ATOM 0 H TRP A 20 -0.819 2.563 -4.894 1.00 1.00 H new ATOM 0 HA TRP A 20 -2.682 0.515 -5.613 1.00 1.00 H new ATOM 0 HB2 TRP A 20 -2.190 2.329 -3.272 1.00 1.00 H new ATOM 0 HB3 TRP A 20 -3.759 1.556 -3.382 1.00 1.00 H new ATOM 0 HD1 TRP A 20 -0.060 0.764 -2.751 1.00 1.00 H new ATOM 0 HE1 TRP A 20 0.218 -1.659 -1.898 1.00 1.00 H new ATOM 0 HE3 TRP A 20 -4.892 -0.912 -3.465 1.00 1.00 H new ATOM 0 HZ2 TRP A 20 -1.391 -3.917 -1.588 1.00 1.00 H new ATOM 0 HZ3 TRP A 20 -5.415 -3.234 -2.849 1.00 1.00 H new ATOM 0 HH2 TRP A 20 -3.685 -4.714 -1.920 1.00 1.00 H new ATOM 200 N GLU A 21 -3.631 3.601 -6.148 1.00 1.00 N ATOM 201 CA GLU A 21 -4.620 4.516 -6.803 1.00 1.00 C ATOM 202 C GLU A 21 -4.903 4.109 -8.278 1.00 1.00 C ATOM 203 O GLU A 21 -6.026 4.310 -8.765 1.00 1.00 O ATOM 204 CB GLU A 21 -4.125 5.971 -6.756 1.00 1.00 C ATOM 205 CG GLU A 21 -4.341 6.665 -5.413 1.00 1.00 C ATOM 206 CD GLU A 21 -3.815 8.088 -5.399 1.00 1.00 C ATOM 207 OE1 GLU A 21 -2.630 8.282 -5.048 1.00 1.00 O ATOM 208 OE2 GLU A 21 -4.585 9.009 -5.740 1.00 1.00 O ATOM 0 H GLU A 21 -2.736 4.056 -5.971 1.00 1.00 H new ATOM 0 HA GLU A 21 -5.552 4.430 -6.244 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -3.061 5.989 -6.994 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -4.635 6.541 -7.533 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -5.406 6.673 -5.180 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -3.847 6.092 -4.629 1.00 1.00 H new ATOM 215 N GLU A 22 -3.841 3.549 -8.963 1.00 1.00 N ATOM 216 CA GLU A 22 -3.907 3.025 -10.361 1.00 1.00 C ATOM 217 C GLU A 22 -4.593 1.637 -10.438 1.00 1.00 C ATOM 218 O GLU A 22 -5.296 1.359 -11.417 1.00 1.00 O ATOM 219 CB GLU A 22 -2.509 2.957 -10.990 1.00 1.00 C ATOM 220 CG GLU A 22 -2.041 4.277 -11.591 1.00 1.00 C ATOM 221 CD GLU A 22 -0.678 4.173 -12.254 1.00 1.00 C ATOM 222 OE1 GLU A 22 0.342 4.345 -11.554 1.00 1.00 O ATOM 223 OE2 GLU A 22 -0.632 3.919 -13.478 1.00 1.00 O ATOM 0 H GLU A 22 -2.914 3.453 -8.547 1.00 1.00 H new ATOM 0 HA GLU A 22 -4.518 3.727 -10.928 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -1.794 2.640 -10.231 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -2.507 2.193 -11.768 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -2.772 4.616 -12.325 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -2.002 5.034 -10.808 1.00 1.00 H new ATOM 230 N LEU A 23 -4.379 0.788 -9.365 1.00 1.00 N ATOM 231 CA LEU A 23 -4.952 -0.589 -9.204 1.00 1.00 C ATOM 232 C LEU A 23 -6.512 -0.584 -9.064 1.00 1.00 C ATOM 233 O LEU A 23 -7.174 -1.456 -9.636 1.00 1.00 O ATOM 234 CB LEU A 23 -4.301 -1.259 -7.970 1.00 1.00 C ATOM 235 CG LEU A 23 -4.121 -2.785 -8.028 1.00 1.00 C ATOM 236 CD1 LEU A 23 -2.672 -3.145 -8.316 1.00 1.00 C ATOM 237 CD2 LEU A 23 -4.579 -3.429 -6.724 1.00 1.00 C ATOM 0 H LEU A 23 -3.790 1.057 -8.577 1.00 1.00 H new ATOM 0 HA LEU A 23 -4.728 -1.155 -10.108 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -3.322 -0.806 -7.814 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -4.905 -1.021 -7.095 1.00 1.00 H new ATOM 0 HG LEU A 23 -4.739 -3.169 -8.840 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -2.567 -4.229 -8.353 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -2.375 -2.719 -9.274 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -2.034 -2.745 -7.528 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -4.444 -4.509 -6.784 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -3.989 -3.035 -5.897 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -5.632 -3.204 -6.557 1.00 1.00 H new ATOM 249 N ILE A 24 -7.050 0.420 -8.281 1.00 1.00 N ATOM 250 CA ILE A 24 -8.519 0.644 -8.033 1.00 1.00 C ATOM 251 C ILE A 24 -9.174 1.368 -9.274 1.00 1.00 C ATOM 252 O ILE A 24 -10.313 1.030 -9.638 1.00 1.00 O ATOM 253 CB ILE A 24 -8.810 1.442 -6.639 1.00 1.00 C ATOM 254 CG1 ILE A 24 -7.945 0.974 -5.366 1.00 1.00 C ATOM 255 CG2 ILE A 24 -10.329 1.456 -6.247 1.00 1.00 C ATOM 256 CD1 ILE A 24 -7.903 -0.528 -4.966 1.00 1.00 C ATOM 0 H ILE A 24 -6.464 1.102 -7.801 1.00 1.00 H new ATOM 0 HA ILE A 24 -8.987 -0.334 -7.915 1.00 1.00 H new ATOM 0 HB ILE A 24 -8.480 2.451 -6.884 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -6.917 1.293 -5.537 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -8.311 1.530 -4.503 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -10.458 2.001 -5.312 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -10.903 1.944 -7.034 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -10.682 0.432 -6.122 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -7.272 -0.653 -4.086 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -8.912 -0.873 -4.740 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -7.496 -1.113 -5.791 1.00 1.00 H new ATOM 268 N GLU A 25 -8.426 2.352 -9.901 1.00 1.00 N ATOM 269 CA GLU A 25 -8.873 3.137 -11.103 1.00 1.00 C ATOM 270 C GLU A 25 -8.971 2.275 -12.400 1.00 1.00 C ATOM 271 O GLU A 25 -9.836 2.543 -13.250 1.00 1.00 O ATOM 272 CB GLU A 25 -7.923 4.315 -11.336 1.00 1.00 C ATOM 273 CG GLU A 25 -8.633 5.654 -11.511 1.00 1.00 C ATOM 274 CD GLU A 25 -7.666 6.806 -11.712 1.00 1.00 C ATOM 275 OE1 GLU A 25 -7.087 7.281 -10.711 1.00 1.00 O ATOM 276 OE2 GLU A 25 -7.490 7.237 -12.871 1.00 1.00 O ATOM 0 H GLU A 25 -7.495 2.617 -9.579 1.00 1.00 H new ATOM 0 HA GLU A 25 -9.879 3.496 -10.887 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -7.235 4.387 -10.494 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -7.322 4.115 -12.223 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -9.305 5.595 -12.367 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -9.250 5.851 -10.634 1.00 1.00 H new ATOM 283 N GLU A 26 -8.045 1.266 -12.525 1.00 1.00 N ATOM 284 CA GLU A 26 -7.986 0.282 -13.641 1.00 1.00 C ATOM 285 C GLU A 26 -8.989 -0.890 -13.455 1.00 1.00 C ATOM 286 O GLU A 26 -9.376 -1.527 -14.452 1.00 1.00 O ATOM 287 CB GLU A 26 -6.579 -0.308 -13.751 1.00 1.00 C ATOM 288 CG GLU A 26 -5.555 0.583 -14.457 1.00 1.00 C ATOM 289 CD GLU A 26 -4.172 -0.043 -14.509 1.00 1.00 C ATOM 290 OE1 GLU A 26 -3.401 0.136 -13.542 1.00 1.00 O ATOM 291 OE2 GLU A 26 -3.858 -0.711 -15.518 1.00 1.00 O ATOM 0 H GLU A 26 -7.309 1.120 -11.834 1.00 1.00 H new ATOM 0 HA GLU A 26 -8.253 0.826 -14.547 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.215 -0.529 -12.748 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -6.640 -1.257 -14.284 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -5.896 0.787 -15.472 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -5.497 1.542 -13.941 1.00 1.00 H new ATOM 298 N MET A 27 -9.387 -1.141 -12.166 1.00 1.00 N ATOM 299 CA MET A 27 -10.315 -2.214 -11.780 1.00 1.00 C ATOM 300 C MET A 27 -11.758 -1.664 -11.468 1.00 1.00 C ATOM 301 O MET A 27 -12.589 -2.372 -10.861 1.00 1.00 O ATOM 302 CB MET A 27 -9.718 -2.992 -10.579 1.00 1.00 C ATOM 303 CG MET A 27 -9.619 -4.500 -10.801 1.00 1.00 C ATOM 304 SD MET A 27 -8.270 -4.948 -11.910 1.00 1.00 S ATOM 305 CE MET A 27 -8.858 -6.517 -12.544 1.00 1.00 C ATOM 0 H MET A 27 -9.060 -0.589 -11.373 1.00 1.00 H new ATOM 0 HA MET A 27 -10.434 -2.897 -12.621 1.00 1.00 H new ATOM 0 HB2 MET A 27 -8.723 -2.601 -10.365 1.00 1.00 H new ATOM 0 HB3 MET A 27 -10.331 -2.805 -9.697 1.00 1.00 H new ATOM 0 HG2 MET A 27 -9.476 -4.997 -9.841 1.00 1.00 H new ATOM 0 HG3 MET A 27 -10.560 -4.866 -11.212 1.00 1.00 H new ATOM 0 HE1 MET A 27 -8.129 -6.922 -13.246 1.00 1.00 H new ATOM 0 HE2 MET A 27 -8.993 -7.216 -11.718 1.00 1.00 H new ATOM 0 HE3 MET A 27 -9.810 -6.370 -13.054 1.00 1.00 H new ATOM 315 N LEU A 28 -12.043 -0.397 -11.898 1.00 1.00 N ATOM 316 CA LEU A 28 -13.359 0.276 -11.700 1.00 1.00 C ATOM 317 C LEU A 28 -14.278 0.200 -12.978 1.00 1.00 C ATOM 318 O LEU A 28 -15.320 0.894 -13.067 1.00 1.00 O ATOM 319 CB LEU A 28 -13.114 1.735 -11.238 1.00 1.00 C ATOM 320 CG LEU A 28 -14.031 2.245 -10.114 1.00 1.00 C ATOM 321 CD1 LEU A 28 -13.282 2.296 -8.794 1.00 1.00 C ATOM 322 CD2 LEU A 28 -14.586 3.616 -10.456 1.00 1.00 C ATOM 0 H LEU A 28 -11.364 0.183 -12.391 1.00 1.00 H new ATOM 0 HA LEU A 28 -13.909 -0.255 -10.923 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -12.080 1.822 -10.905 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -13.227 2.393 -12.100 1.00 1.00 H new ATOM 0 HG LEU A 28 -14.864 1.549 -10.014 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -13.948 2.659 -8.011 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -12.930 1.297 -8.536 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -12.429 2.968 -8.885 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -15.232 3.959 -9.648 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -13.764 4.319 -10.586 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -15.161 3.556 -11.380 1.00 1.00 H new ATOM 334 N ILE A 29 -13.894 -0.704 -13.925 1.00 1.00 N ATOM 335 CA ILE A 29 -14.598 -0.966 -15.223 1.00 1.00 C ATOM 336 C ILE A 29 -15.704 -2.084 -15.103 1.00 1.00 C ATOM 337 O ILE A 29 -16.356 -2.435 -16.114 1.00 1.00 O ATOM 338 CB ILE A 29 -13.577 -1.311 -16.406 1.00 1.00 C ATOM 339 CG1 ILE A 29 -12.414 -2.299 -16.030 1.00 1.00 C ATOM 340 CG2 ILE A 29 -12.990 -0.021 -16.969 1.00 1.00 C ATOM 341 CD1 ILE A 29 -12.369 -3.551 -16.887 1.00 1.00 C ATOM 0 H ILE A 29 -13.066 -1.287 -13.807 1.00 1.00 H new ATOM 0 HA ILE A 29 -15.103 -0.034 -15.475 1.00 1.00 H new ATOM 0 HB ILE A 29 -14.172 -1.840 -17.151 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -11.462 -1.775 -16.119 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -12.521 -2.590 -14.985 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -12.295 -0.259 -17.774 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -13.793 0.606 -17.356 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -12.461 0.513 -16.179 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -11.540 -4.182 -16.566 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -13.305 -4.099 -16.780 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -12.230 -3.272 -17.931 1.00 1.00 H new ATOM 353 N ILE A 30 -15.919 -2.576 -13.852 1.00 1.00 N ATOM 354 CA ILE A 30 -16.888 -3.665 -13.522 1.00 1.00 C ATOM 355 C ILE A 30 -18.133 -3.043 -12.836 1.00 1.00 C ATOM 356 O ILE A 30 -18.008 -2.116 -12.014 1.00 1.00 O ATOM 357 CB ILE A 30 -16.284 -4.838 -12.588 1.00 1.00 C ATOM 358 CG1 ILE A 30 -14.785 -5.159 -12.867 1.00 1.00 C ATOM 359 CG2 ILE A 30 -17.072 -6.165 -12.759 1.00 1.00 C ATOM 360 CD1 ILE A 30 -13.892 -5.044 -11.644 1.00 1.00 C ATOM 0 H ILE A 30 -15.420 -2.226 -13.034 1.00 1.00 H new ATOM 0 HA ILE A 30 -17.148 -4.143 -14.467 1.00 1.00 H new ATOM 0 HB ILE A 30 -16.379 -4.447 -11.575 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -14.709 -6.170 -13.266 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -14.416 -4.483 -13.638 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -16.638 -6.931 -12.116 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -18.115 -6.007 -12.483 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -17.017 -6.489 -13.798 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -12.865 -5.283 -11.920 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -13.936 -4.027 -11.255 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -14.233 -5.740 -10.878 1.00 1.00 H new ATOM 372 N GLU A 31 -19.326 -3.609 -13.200 1.00 1.00 N ATOM 373 CA GLU A 31 -20.668 -3.201 -12.660 1.00 1.00 C ATOM 374 C GLU A 31 -20.993 -3.830 -11.273 1.00 1.00 C ATOM 375 O GLU A 31 -21.887 -3.329 -10.564 1.00 1.00 O ATOM 376 CB GLU A 31 -21.791 -3.534 -13.666 1.00 1.00 C ATOM 377 CG GLU A 31 -21.919 -2.532 -14.806 1.00 1.00 C ATOM 378 CD GLU A 31 -23.032 -2.886 -15.773 1.00 1.00 C ATOM 379 OE1 GLU A 31 -22.775 -3.661 -16.718 1.00 1.00 O ATOM 380 OE2 GLU A 31 -24.160 -2.388 -15.583 1.00 1.00 O ATOM 0 H GLU A 31 -19.385 -4.366 -13.881 1.00 1.00 H new ATOM 0 HA GLU A 31 -20.616 -2.122 -12.515 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -21.608 -4.524 -14.085 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -22.740 -3.584 -13.132 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -22.103 -1.540 -14.394 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -20.975 -2.482 -15.348 1.00 1.00 H new ATOM 387 N ASN A 32 -20.241 -4.918 -10.911 1.00 1.00 N ATOM 388 CA ASN A 32 -20.351 -5.634 -9.613 1.00 1.00 C ATOM 389 C ASN A 32 -19.463 -4.988 -8.509 1.00 1.00 C ATOM 390 O ASN A 32 -19.608 -5.320 -7.318 1.00 1.00 O ATOM 391 CB ASN A 32 -19.976 -7.112 -9.805 1.00 1.00 C ATOM 392 CG ASN A 32 -21.136 -7.952 -10.302 1.00 1.00 C ATOM 393 OD1 ASN A 32 -21.266 -8.207 -11.500 1.00 1.00 O ATOM 394 ND2 ASN A 32 -21.987 -8.389 -9.378 1.00 1.00 N ATOM 0 H ASN A 32 -19.535 -5.321 -11.527 1.00 1.00 H new ATOM 0 HA ASN A 32 -21.385 -5.558 -9.276 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -19.151 -7.184 -10.514 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -19.619 -7.518 -8.858 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -22.787 -8.960 -9.651 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -21.840 -8.153 -8.397 1.00 1.00 H new ATOM 401 N PHE A 33 -18.547 -4.035 -8.932 1.00 1.00 N ATOM 402 CA PHE A 33 -17.612 -3.257 -8.035 1.00 1.00 C ATOM 403 C PHE A 33 -18.366 -2.480 -6.928 1.00 1.00 C ATOM 404 O PHE A 33 -17.853 -2.372 -5.822 1.00 1.00 O ATOM 405 CB PHE A 33 -16.708 -2.299 -8.854 1.00 1.00 C ATOM 406 CG PHE A 33 -15.360 -1.963 -8.201 1.00 1.00 C ATOM 407 CD1 PHE A 33 -14.258 -2.806 -8.329 1.00 1.00 C ATOM 408 CD2 PHE A 33 -15.219 -0.808 -7.439 1.00 1.00 C ATOM 409 CE1 PHE A 33 -13.060 -2.499 -7.716 1.00 1.00 C ATOM 410 CE2 PHE A 33 -14.017 -0.506 -6.825 1.00 1.00 C ATOM 411 CZ PHE A 33 -12.941 -1.353 -6.967 1.00 1.00 C ATOM 0 H PHE A 33 -18.441 -3.788 -9.916 1.00 1.00 H new ATOM 0 HA PHE A 33 -16.977 -3.992 -7.541 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -16.520 -2.746 -9.830 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -17.252 -1.371 -9.028 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -14.342 -3.710 -8.914 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -16.059 -0.138 -7.325 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -12.214 -3.161 -7.825 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -13.923 0.393 -6.235 1.00 1.00 H new ATOM 0 HZ PHE A 33 -12.002 -1.116 -6.489 1.00 1.00 H new ATOM 421 N GLU A 34 -19.572 -1.936 -7.280 1.00 1.00 N ATOM 422 CA GLU A 34 -20.507 -1.223 -6.329 1.00 1.00 C ATOM 423 C GLU A 34 -20.999 -2.157 -5.176 1.00 1.00 C ATOM 424 O GLU A 34 -21.283 -1.682 -4.064 1.00 1.00 O ATOM 425 CB GLU A 34 -21.720 -0.670 -7.086 1.00 1.00 C ATOM 426 CG GLU A 34 -21.454 0.634 -7.827 1.00 1.00 C ATOM 427 CD GLU A 34 -22.686 1.160 -8.537 1.00 1.00 C ATOM 428 OE1 GLU A 34 -22.928 0.751 -9.691 1.00 1.00 O ATOM 429 OE2 GLU A 34 -23.411 1.982 -7.936 1.00 1.00 O ATOM 0 H GLU A 34 -19.931 -1.976 -8.234 1.00 1.00 H new ATOM 0 HA GLU A 34 -19.943 -0.404 -5.883 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -22.059 -1.419 -7.802 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -22.535 -0.513 -6.379 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -21.098 1.384 -7.120 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -20.658 0.479 -8.555 1.00 1.00 H new ATOM 436 N GLU A 35 -21.077 -3.489 -5.503 1.00 1.00 N ATOM 437 CA GLU A 35 -21.458 -4.583 -4.562 1.00 1.00 C ATOM 438 C GLU A 35 -20.240 -5.110 -3.760 1.00 1.00 C ATOM 439 O GLU A 35 -20.380 -5.416 -2.568 1.00 1.00 O ATOM 440 CB GLU A 35 -22.116 -5.756 -5.309 1.00 1.00 C ATOM 441 CG GLU A 35 -23.588 -5.554 -5.625 1.00 1.00 C ATOM 442 CD GLU A 35 -24.183 -6.730 -6.376 1.00 1.00 C ATOM 443 OE1 GLU A 35 -24.082 -6.756 -7.621 1.00 1.00 O ATOM 444 OE2 GLU A 35 -24.748 -7.628 -5.717 1.00 1.00 O ATOM 0 H GLU A 35 -20.873 -3.830 -6.442 1.00 1.00 H new ATOM 0 HA GLU A 35 -22.174 -4.152 -3.863 1.00 1.00 H new ATOM 0 HB2 GLU A 35 -21.577 -5.925 -6.241 1.00 1.00 H new ATOM 0 HB3 GLU A 35 -22.007 -6.660 -4.709 1.00 1.00 H new ATOM 0 HG2 GLU A 35 -24.139 -5.402 -4.697 1.00 1.00 H new ATOM 0 HG3 GLU A 35 -23.709 -4.648 -6.219 1.00 1.00 H new ATOM 451 N ILE A 36 -19.046 -5.213 -4.454 1.00 1.00 N ATOM 452 CA ILE A 36 -17.736 -5.700 -3.874 1.00 1.00 C ATOM 453 C ILE A 36 -17.121 -4.621 -2.887 1.00 1.00 C ATOM 454 O ILE A 36 -16.585 -5.002 -1.836 1.00 1.00 O ATOM 455 CB ILE A 36 -16.662 -6.181 -4.995 1.00 1.00 C ATOM 456 CG1 ILE A 36 -17.281 -7.205 -6.008 1.00 1.00 C ATOM 457 CG2 ILE A 36 -15.429 -6.887 -4.337 1.00 1.00 C ATOM 458 CD1 ILE A 36 -16.850 -7.049 -7.475 1.00 1.00 C ATOM 0 H ILE A 36 -18.969 -4.958 -5.439 1.00 1.00 H new ATOM 0 HA ILE A 36 -17.968 -6.598 -3.301 1.00 1.00 H new ATOM 0 HB ILE A 36 -16.361 -5.273 -5.516 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -17.022 -8.212 -5.680 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -18.367 -7.123 -5.959 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -14.730 -7.197 -5.114 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -14.933 -6.194 -3.657 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -15.765 -7.763 -3.781 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -17.341 -7.810 -8.081 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -17.134 -6.060 -7.835 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -15.769 -7.166 -7.551 1.00 1.00 H new ATOM 470 N VAL A 37 -17.211 -3.304 -3.278 1.00 1.00 N ATOM 471 CA VAL A 37 -16.684 -2.125 -2.508 1.00 1.00 C ATOM 472 C VAL A 37 -17.428 -1.877 -1.114 1.00 1.00 C ATOM 473 O VAL A 37 -16.922 -1.105 -0.286 1.00 1.00 O ATOM 474 CB VAL A 37 -16.618 -0.850 -3.479 1.00 1.00 C ATOM 475 CG1 VAL A 37 -17.950 -0.085 -3.694 1.00 1.00 C ATOM 476 CG2 VAL A 37 -15.495 0.128 -3.104 1.00 1.00 C ATOM 0 H VAL A 37 -17.660 -3.031 -4.152 1.00 1.00 H new ATOM 0 HA VAL A 37 -15.666 -2.343 -2.185 1.00 1.00 H new ATOM 0 HB VAL A 37 -16.389 -1.304 -4.443 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -17.782 0.756 -4.367 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -18.689 -0.757 -4.130 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -18.316 0.285 -2.736 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -15.500 0.970 -3.796 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -15.653 0.492 -2.089 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -14.534 -0.383 -3.161 1.00 1.00 H new ATOM 486 N LYS A 38 -18.646 -2.475 -0.973 1.00 1.00 N ATOM 487 CA LYS A 38 -19.485 -2.417 0.263 1.00 1.00 C ATOM 488 C LYS A 38 -19.154 -3.546 1.285 1.00 1.00 C ATOM 489 O LYS A 38 -19.496 -3.405 2.477 1.00 1.00 O ATOM 490 CB LYS A 38 -20.982 -2.486 -0.110 1.00 1.00 C ATOM 491 CG LYS A 38 -21.560 -1.175 -0.630 1.00 1.00 C ATOM 492 CD LYS A 38 -22.999 -1.337 -1.086 1.00 1.00 C ATOM 493 CE LYS A 38 -23.536 -0.034 -1.648 1.00 1.00 C ATOM 494 NZ LYS A 38 -24.936 -0.167 -2.132 1.00 1.00 N ATOM 0 H LYS A 38 -19.078 -3.017 -1.722 1.00 1.00 H new ATOM 0 HA LYS A 38 -19.255 -1.468 0.748 1.00 1.00 H new ATOM 0 HB2 LYS A 38 -21.120 -3.257 -0.868 1.00 1.00 H new ATOM 0 HB3 LYS A 38 -21.549 -2.797 0.767 1.00 1.00 H new ATOM 0 HG2 LYS A 38 -21.510 -0.419 0.154 1.00 1.00 H new ATOM 0 HG3 LYS A 38 -20.954 -0.814 -1.461 1.00 1.00 H new ATOM 0 HD2 LYS A 38 -23.059 -2.118 -1.844 1.00 1.00 H new ATOM 0 HD3 LYS A 38 -23.617 -1.659 -0.248 1.00 1.00 H new ATOM 0 HE2 LYS A 38 -23.491 0.738 -0.879 1.00 1.00 H new ATOM 0 HE3 LYS A 38 -22.899 0.296 -2.469 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 -25.262 0.747 -2.507 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 -24.977 -0.884 -2.884 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 -25.550 -0.456 -1.344 1.00 1.00 H new ATOM 508 N ASP A 39 -18.475 -4.631 0.798 1.00 1.00 N ATOM 509 CA ASP A 39 -18.091 -5.800 1.598 1.00 1.00 C ATOM 510 C ASP A 39 -16.583 -6.080 1.484 1.00 1.00 C ATOM 511 O ASP A 39 -16.061 -6.428 0.400 1.00 1.00 O ATOM 512 CB ASP A 39 -18.920 -7.039 1.176 1.00 1.00 C ATOM 513 CG ASP A 39 -20.201 -7.196 1.973 1.00 1.00 C ATOM 514 OD1 ASP A 39 -20.124 -7.587 3.157 1.00 1.00 O ATOM 515 OD2 ASP A 39 -21.286 -6.929 1.412 1.00 1.00 O ATOM 0 H ASP A 39 -18.183 -4.702 -0.177 1.00 1.00 H new ATOM 0 HA ASP A 39 -18.307 -5.583 2.644 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -19.165 -6.961 0.117 1.00 1.00 H new ATOM 0 HB3 ASP A 39 -18.311 -7.935 1.297 1.00 1.00 H new ATOM 520 N ARG A 40 -15.870 -5.865 2.631 1.00 1.00 N ATOM 521 CA ARG A 40 -14.391 -6.133 2.811 1.00 1.00 C ATOM 522 C ARG A 40 -14.006 -7.616 2.565 1.00 1.00 C ATOM 523 O ARG A 40 -12.948 -7.881 1.987 1.00 1.00 O ATOM 524 CB ARG A 40 -13.962 -5.705 4.225 1.00 1.00 C ATOM 525 CG ARG A 40 -13.858 -4.182 4.426 1.00 1.00 C ATOM 526 CD ARG A 40 -14.110 -3.788 5.881 1.00 1.00 C ATOM 527 NE ARG A 40 -15.561 -3.622 6.168 1.00 1.00 N ATOM 528 CZ ARG A 40 -16.161 -3.560 7.397 1.00 1.00 C ATOM 529 NH1 ARG A 40 -15.479 -3.604 8.558 1.00 1.00 N ATOM 530 NH2 ARG A 40 -17.479 -3.439 7.451 1.00 1.00 N ATOM 0 H ARG A 40 -16.306 -5.495 3.476 1.00 1.00 H new ATOM 0 HA ARG A 40 -13.864 -5.546 2.059 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -14.676 -6.106 4.945 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -12.995 -6.155 4.450 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -12.868 -3.841 4.122 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -14.580 -3.679 3.782 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -13.694 -4.550 6.541 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -13.588 -2.857 6.101 1.00 1.00 H new ATOM 0 HE ARG A 40 -16.177 -3.546 5.359 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -14.462 -3.688 8.549 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -15.979 -3.554 9.446 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -18.023 -3.394 6.589 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -17.950 -3.391 8.354 1.00 1.00 H new ATOM 544 N GLU A 41 -14.925 -8.557 2.963 1.00 1.00 N ATOM 545 CA GLU A 41 -14.790 -10.036 2.783 1.00 1.00 C ATOM 546 C GLU A 41 -14.873 -10.487 1.294 1.00 1.00 C ATOM 547 O GLU A 41 -14.260 -11.502 0.925 1.00 1.00 O ATOM 548 CB GLU A 41 -15.885 -10.717 3.599 1.00 1.00 C ATOM 549 CG GLU A 41 -15.387 -11.816 4.524 1.00 1.00 C ATOM 550 CD GLU A 41 -16.521 -12.512 5.256 1.00 1.00 C ATOM 551 OE1 GLU A 41 -17.002 -11.961 6.270 1.00 1.00 O ATOM 552 OE2 GLU A 41 -16.934 -13.604 4.811 1.00 1.00 O ATOM 0 H GLU A 41 -15.796 -8.298 3.427 1.00 1.00 H new ATOM 0 HA GLU A 41 -13.798 -10.327 3.129 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -16.400 -9.963 4.195 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -16.621 -11.140 2.915 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -14.827 -12.550 3.944 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -14.696 -11.390 5.251 1.00 1.00 H new ATOM 559 N ARG A 42 -15.653 -9.707 0.472 1.00 1.00 N ATOM 560 CA ARG A 42 -15.826 -9.915 -0.997 1.00 1.00 C ATOM 561 C ARG A 42 -14.657 -9.316 -1.820 1.00 1.00 C ATOM 562 O ARG A 42 -14.297 -9.885 -2.863 1.00 1.00 O ATOM 563 CB ARG A 42 -17.154 -9.319 -1.491 1.00 1.00 C ATOM 564 CG ARG A 42 -18.354 -10.239 -1.319 1.00 1.00 C ATOM 565 CD ARG A 42 -19.630 -9.602 -1.867 1.00 1.00 C ATOM 566 NE ARG A 42 -20.806 -10.503 -1.750 1.00 1.00 N ATOM 567 CZ ARG A 42 -22.012 -10.377 -2.395 1.00 1.00 C ATOM 568 NH1 ARG A 42 -22.300 -9.380 -3.255 1.00 1.00 N ATOM 569 NH2 ARG A 42 -22.948 -11.283 -2.164 1.00 1.00 N ATOM 0 H ARG A 42 -16.182 -8.909 0.823 1.00 1.00 H new ATOM 0 HA ARG A 42 -15.833 -10.994 -1.152 1.00 1.00 H new ATOM 0 HB2 ARG A 42 -17.344 -8.389 -0.955 1.00 1.00 H new ATOM 0 HB3 ARG A 42 -17.054 -9.064 -2.546 1.00 1.00 H new ATOM 0 HG2 ARG A 42 -18.167 -11.182 -1.832 1.00 1.00 H new ATOM 0 HG3 ARG A 42 -18.487 -10.472 -0.263 1.00 1.00 H new ATOM 0 HD2 ARG A 42 -19.830 -8.675 -1.329 1.00 1.00 H new ATOM 0 HD3 ARG A 42 -19.481 -9.337 -2.914 1.00 1.00 H new ATOM 0 HE ARG A 42 -20.707 -11.301 -1.123 1.00 1.00 H new ATOM 0 HH11 ARG A 42 -21.602 -8.664 -3.458 1.00 1.00 H new ATOM 0 HH12 ARG A 42 -23.216 -9.341 -3.703 1.00 1.00 H new ATOM 0 HH21 ARG A 42 -22.765 -12.052 -1.520 1.00 1.00 H new ATOM 0 HH22 ARG A 42 -23.852 -11.212 -2.630 1.00 1.00 H new ATOM 583 N PHE A 43 -14.085 -8.153 -1.329 1.00 1.00 N ATOM 584 CA PHE A 43 -12.937 -7.430 -1.964 1.00 1.00 C ATOM 585 C PHE A 43 -11.582 -8.152 -1.746 1.00 1.00 C ATOM 586 O PHE A 43 -10.802 -8.250 -2.699 1.00 1.00 O ATOM 587 CB PHE A 43 -12.852 -5.951 -1.484 1.00 1.00 C ATOM 588 CG PHE A 43 -12.239 -4.979 -2.492 1.00 1.00 C ATOM 589 CD1 PHE A 43 -10.857 -4.808 -2.573 1.00 1.00 C ATOM 590 CD2 PHE A 43 -13.043 -4.253 -3.355 1.00 1.00 C ATOM 591 CE1 PHE A 43 -10.301 -3.940 -3.491 1.00 1.00 C ATOM 592 CE2 PHE A 43 -12.487 -3.382 -4.273 1.00 1.00 C ATOM 593 CZ PHE A 43 -11.116 -3.227 -4.342 1.00 1.00 C ATOM 0 H PHE A 43 -14.418 -7.699 -0.478 1.00 1.00 H new ATOM 0 HA PHE A 43 -13.136 -7.432 -3.036 1.00 1.00 H new ATOM 0 HB2 PHE A 43 -13.856 -5.607 -1.235 1.00 1.00 H new ATOM 0 HB3 PHE A 43 -12.266 -5.916 -0.566 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -10.212 -5.363 -1.908 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -14.116 -4.369 -3.310 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -9.229 -3.820 -3.542 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -13.126 -2.821 -4.938 1.00 1.00 H new ATOM 0 HZ PHE A 43 -10.684 -2.548 -5.062 1.00 1.00 H new ATOM 603 N LEU A 44 -11.340 -8.675 -0.492 1.00 1.00 N ATOM 604 CA LEU A 44 -10.094 -9.433 -0.105 1.00 1.00 C ATOM 605 C LEU A 44 -9.966 -10.794 -0.847 1.00 1.00 C ATOM 606 O LEU A 44 -8.846 -11.245 -1.135 1.00 1.00 O ATOM 607 CB LEU A 44 -10.050 -9.664 1.417 1.00 1.00 C ATOM 608 CG LEU A 44 -9.497 -8.498 2.254 1.00 1.00 C ATOM 609 CD1 LEU A 44 -10.311 -8.327 3.527 1.00 1.00 C ATOM 610 CD2 LEU A 44 -8.028 -8.714 2.605 1.00 1.00 C ATOM 0 H LEU A 44 -12.004 -8.582 0.277 1.00 1.00 H new ATOM 0 HA LEU A 44 -9.248 -8.815 -0.406 1.00 1.00 H new ATOM 0 HB2 LEU A 44 -11.060 -9.887 1.761 1.00 1.00 H new ATOM 0 HB3 LEU A 44 -9.444 -10.548 1.614 1.00 1.00 H new ATOM 0 HG LEU A 44 -9.575 -7.592 1.652 1.00 1.00 H new ATOM 0 HD11 LEU A 44 -9.907 -7.498 4.108 1.00 1.00 H new ATOM 0 HD12 LEU A 44 -11.349 -8.118 3.270 1.00 1.00 H new ATOM 0 HD13 LEU A 44 -10.261 -9.242 4.117 1.00 1.00 H new ATOM 0 HD21 LEU A 44 -7.668 -7.872 3.197 1.00 1.00 H new ATOM 0 HD22 LEU A 44 -7.923 -9.634 3.181 1.00 1.00 H new ATOM 0 HD23 LEU A 44 -7.442 -8.791 1.689 1.00 1.00 H new ATOM 622 N ALA A 45 -11.158 -11.410 -1.129 1.00 1.00 N ATOM 623 CA ALA A 45 -11.307 -12.681 -1.886 1.00 1.00 C ATOM 624 C ALA A 45 -11.271 -12.461 -3.422 1.00 1.00 C ATOM 625 O ALA A 45 -10.920 -13.391 -4.160 1.00 1.00 O ATOM 626 CB ALA A 45 -12.607 -13.369 -1.501 1.00 1.00 C ATOM 0 H ALA A 45 -12.053 -11.024 -0.828 1.00 1.00 H new ATOM 0 HA ALA A 45 -10.458 -13.312 -1.622 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -12.706 -14.299 -2.061 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -12.601 -13.588 -0.433 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -13.447 -12.715 -1.732 1.00 1.00 H new ATOM 632 N GLN A 46 -11.636 -11.208 -3.873 1.00 1.00 N ATOM 633 CA GLN A 46 -11.642 -10.780 -5.303 1.00 1.00 C ATOM 634 C GLN A 46 -10.230 -10.419 -5.825 1.00 1.00 C ATOM 635 O GLN A 46 -9.929 -10.703 -6.986 1.00 1.00 O ATOM 636 CB GLN A 46 -12.596 -9.582 -5.496 1.00 1.00 C ATOM 637 CG GLN A 46 -13.579 -9.719 -6.672 1.00 1.00 C ATOM 638 CD GLN A 46 -14.858 -10.470 -6.308 1.00 1.00 C ATOM 639 OE1 GLN A 46 -15.730 -9.939 -5.617 1.00 1.00 O ATOM 640 NE2 GLN A 46 -14.956 -11.715 -6.757 1.00 1.00 N ATOM 0 H GLN A 46 -11.935 -10.468 -3.238 1.00 1.00 H new ATOM 0 HA GLN A 46 -11.993 -11.631 -5.887 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -13.167 -9.440 -4.579 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -12.000 -8.681 -5.643 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -13.841 -8.725 -7.035 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -13.083 -10.238 -7.492 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -14.208 -12.112 -7.326 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -15.779 -12.275 -6.533 1.00 1.00 H new ATOM 649 N VAL A 47 -9.376 -9.794 -4.934 1.00 1.00 N ATOM 650 CA VAL A 47 -7.938 -9.394 -5.226 1.00 1.00 C ATOM 651 C VAL A 47 -7.033 -10.690 -5.290 1.00 1.00 C ATOM 652 O VAL A 47 -6.174 -10.793 -6.180 1.00 1.00 O ATOM 653 CB VAL A 47 -7.362 -8.291 -4.187 1.00 1.00 C ATOM 654 CG1 VAL A 47 -5.949 -7.754 -4.543 1.00 1.00 C ATOM 655 CG2 VAL A 47 -8.275 -7.061 -4.065 1.00 1.00 C ATOM 0 H VAL A 47 -9.666 -9.551 -3.987 1.00 1.00 H new ATOM 0 HA VAL A 47 -7.916 -8.901 -6.198 1.00 1.00 H new ATOM 0 HB VAL A 47 -7.315 -8.844 -3.249 1.00 1.00 H new ATOM 0 HG11 VAL A 47 -5.640 -7.022 -3.797 1.00 1.00 H new ATOM 0 HG12 VAL A 47 -5.238 -8.580 -4.556 1.00 1.00 H new ATOM 0 HG13 VAL A 47 -5.976 -7.283 -5.525 1.00 1.00 H new ATOM 0 HG21 VAL A 47 -7.842 -6.355 -3.357 1.00 1.00 H new ATOM 0 HG22 VAL A 47 -8.374 -6.583 -5.040 1.00 1.00 H new ATOM 0 HG23 VAL A 47 -9.258 -7.371 -3.712 1.00 1.00 H new ATOM 665 N GLU A 48 -7.287 -11.652 -4.340 1.00 1.00 N ATOM 666 CA GLU A 48 -6.572 -12.972 -4.216 1.00 1.00 C ATOM 667 C GLU A 48 -6.930 -13.982 -5.355 1.00 1.00 C ATOM 668 O GLU A 48 -6.134 -14.897 -5.626 1.00 1.00 O ATOM 669 CB GLU A 48 -6.880 -13.622 -2.846 1.00 1.00 C ATOM 670 CG GLU A 48 -6.208 -12.945 -1.647 1.00 1.00 C ATOM 671 CD GLU A 48 -6.404 -13.706 -0.351 1.00 1.00 C ATOM 672 OE1 GLU A 48 -7.407 -13.443 0.347 1.00 1.00 O ATOM 673 OE2 GLU A 48 -5.554 -14.564 -0.032 1.00 1.00 O ATOM 0 H GLU A 48 -8.006 -11.529 -3.627 1.00 1.00 H new ATOM 0 HA GLU A 48 -5.509 -12.749 -4.304 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -7.959 -13.615 -2.691 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -6.569 -14.666 -2.877 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -5.141 -12.844 -1.845 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -6.608 -11.937 -1.534 1.00 1.00 H new ATOM 680 N GLU A 49 -8.134 -13.788 -5.979 1.00 1.00 N ATOM 681 CA GLU A 49 -8.651 -14.625 -7.102 1.00 1.00 C ATOM 682 C GLU A 49 -8.350 -14.022 -8.492 1.00 1.00 C ATOM 683 O GLU A 49 -8.272 -14.783 -9.476 1.00 1.00 O ATOM 684 CB GLU A 49 -10.168 -14.851 -6.976 1.00 1.00 C ATOM 685 CG GLU A 49 -10.563 -15.923 -5.970 1.00 1.00 C ATOM 686 CD GLU A 49 -12.058 -16.168 -5.946 1.00 1.00 C ATOM 687 OE1 GLU A 49 -12.768 -15.451 -5.209 1.00 1.00 O ATOM 688 OE2 GLU A 49 -12.521 -17.076 -6.669 1.00 1.00 O ATOM 0 H GLU A 49 -8.774 -13.040 -5.712 1.00 1.00 H new ATOM 0 HA GLU A 49 -8.125 -15.576 -7.024 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -10.641 -13.911 -6.691 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -10.565 -15.124 -7.954 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -10.049 -16.853 -6.213 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -10.230 -15.625 -4.976 1.00 1.00 H new ATOM 695 N PHE A 50 -8.177 -12.666 -8.549 1.00 1.00 N ATOM 696 CA PHE A 50 -7.890 -11.912 -9.783 1.00 1.00 C ATOM 697 C PHE A 50 -6.411 -11.562 -9.881 1.00 1.00 C ATOM 698 O PHE A 50 -5.769 -11.256 -8.852 1.00 1.00 O ATOM 699 CB PHE A 50 -8.727 -10.614 -9.840 1.00 1.00 C ATOM 700 CG PHE A 50 -9.798 -10.582 -10.909 1.00 1.00 C ATOM 701 CD1 PHE A 50 -9.519 -10.106 -12.187 1.00 1.00 C ATOM 702 CD2 PHE A 50 -11.087 -11.023 -10.633 1.00 1.00 C ATOM 703 CE1 PHE A 50 -10.498 -10.079 -13.161 1.00 1.00 C ATOM 704 CE2 PHE A 50 -12.066 -10.998 -11.605 1.00 1.00 C ATOM 705 CZ PHE A 50 -11.772 -10.526 -12.871 1.00 1.00 C ATOM 0 H PHE A 50 -8.236 -12.071 -7.722 1.00 1.00 H new ATOM 0 HA PHE A 50 -8.159 -12.551 -10.625 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -9.200 -10.464 -8.870 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -8.052 -9.773 -9.999 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -8.525 -9.754 -12.420 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -11.325 -11.390 -9.645 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -10.267 -9.708 -14.149 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -13.062 -11.347 -11.377 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.538 -10.507 -13.632 1.00 1.00 H new ATOM 715 N VAL A 51 -5.903 -11.581 -11.142 1.00 1.00 N ATOM 716 CA VAL A 51 -4.502 -11.277 -11.464 1.00 1.00 C ATOM 717 C VAL A 51 -4.336 -9.775 -11.875 1.00 1.00 C ATOM 718 O VAL A 51 -5.306 -9.136 -12.336 1.00 1.00 O ATOM 719 CB VAL A 51 -3.915 -12.358 -12.499 1.00 1.00 C ATOM 720 CG1 VAL A 51 -4.089 -12.059 -14.009 1.00 1.00 C ATOM 721 CG2 VAL A 51 -2.446 -12.654 -12.202 1.00 1.00 C ATOM 0 H VAL A 51 -6.466 -11.810 -11.961 1.00 1.00 H new ATOM 0 HA VAL A 51 -3.879 -11.380 -10.576 1.00 1.00 H new ATOM 0 HB VAL A 51 -4.544 -13.230 -12.322 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -3.649 -12.867 -14.593 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -5.150 -11.978 -14.244 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -3.590 -11.121 -14.254 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -2.071 -13.388 -12.915 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -1.865 -11.736 -12.288 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -2.352 -13.050 -11.191 1.00 1.00 H new ATOM 731 N PHE A 52 -3.099 -9.282 -11.695 1.00 1.00 N ATOM 732 CA PHE A 52 -2.715 -7.895 -12.011 1.00 1.00 C ATOM 733 C PHE A 52 -1.488 -7.884 -12.913 1.00 1.00 C ATOM 734 O PHE A 52 -0.581 -8.719 -12.776 1.00 1.00 O ATOM 735 CB PHE A 52 -2.473 -7.045 -10.727 1.00 1.00 C ATOM 736 CG PHE A 52 -3.699 -6.850 -9.841 1.00 1.00 C ATOM 737 CD1 PHE A 52 -4.579 -5.790 -10.047 1.00 1.00 C ATOM 738 CD2 PHE A 52 -3.969 -7.742 -8.811 1.00 1.00 C ATOM 739 CE1 PHE A 52 -5.694 -5.630 -9.245 1.00 1.00 C ATOM 740 CE2 PHE A 52 -5.084 -7.587 -8.012 1.00 1.00 C ATOM 741 CZ PHE A 52 -5.947 -6.530 -8.227 1.00 1.00 C ATOM 0 H PHE A 52 -2.330 -9.840 -11.323 1.00 1.00 H new ATOM 0 HA PHE A 52 -3.548 -7.433 -12.541 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -1.689 -7.521 -10.137 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -2.098 -6.065 -11.024 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -4.388 -5.085 -10.842 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.297 -8.569 -8.633 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -6.367 -4.802 -9.414 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -5.282 -8.292 -7.218 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.818 -6.407 -7.601 1.00 1.00 H new ATOM 751 N LYS A 53 -1.495 -6.901 -13.825 1.00 1.00 N ATOM 752 CA LYS A 53 -0.443 -6.674 -14.853 1.00 1.00 C ATOM 753 C LYS A 53 0.592 -5.640 -14.380 1.00 1.00 C ATOM 754 O LYS A 53 0.203 -4.619 -13.779 1.00 1.00 O ATOM 755 CB LYS A 53 -1.071 -6.255 -16.245 1.00 1.00 C ATOM 756 CG LYS A 53 -2.169 -5.148 -16.233 1.00 1.00 C ATOM 757 CD LYS A 53 -2.732 -4.850 -17.609 1.00 1.00 C ATOM 758 CE LYS A 53 -3.808 -3.787 -17.510 1.00 1.00 C ATOM 759 NZ LYS A 53 -4.384 -3.451 -18.834 1.00 1.00 N ATOM 0 H LYS A 53 -2.250 -6.217 -13.878 1.00 1.00 H new ATOM 0 HA LYS A 53 0.077 -7.621 -14.997 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -0.261 -5.919 -16.892 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -1.497 -7.147 -16.704 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -2.981 -5.458 -15.575 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -1.749 -4.234 -15.813 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -1.935 -4.512 -18.272 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -3.146 -5.759 -18.046 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -4.601 -4.135 -16.848 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -3.388 -2.888 -17.059 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -5.115 -2.720 -18.719 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -3.633 -3.094 -19.459 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -4.808 -4.302 -19.254 1.00 1.00 H new ATOM 773 N CYS A 54 1.892 -5.931 -14.668 1.00 1.00 N ATOM 774 CA CYS A 54 3.004 -5.033 -14.315 1.00 1.00 C ATOM 775 C CYS A 54 3.389 -4.135 -15.542 1.00 1.00 C ATOM 776 O CYS A 54 3.809 -4.698 -16.577 1.00 1.00 O ATOM 777 CB CYS A 54 4.235 -5.781 -13.753 1.00 1.00 C ATOM 778 SG CYS A 54 5.450 -4.660 -12.969 1.00 1.00 S ATOM 0 H CYS A 54 2.185 -6.784 -15.144 1.00 1.00 H new ATOM 0 HA CYS A 54 2.652 -4.393 -13.506 1.00 1.00 H new ATOM 0 HB2 CYS A 54 3.904 -6.518 -13.022 1.00 1.00 H new ATOM 0 HB3 CYS A 54 4.721 -6.329 -14.560 1.00 1.00 H new ATOM 0 HG CYS A 54 5.298 -4.690 -11.678 1.00 1.00 H new ATOM 783 N PRO A 55 3.208 -2.716 -15.484 1.00 1.00 N ATOM 784 CA PRO A 55 3.581 -1.807 -16.630 1.00 1.00 C ATOM 785 C PRO A 55 5.131 -1.566 -16.793 1.00 1.00 C ATOM 786 O PRO A 55 5.568 -0.939 -17.769 1.00 1.00 O ATOM 787 CB PRO A 55 2.827 -0.488 -16.292 1.00 1.00 C ATOM 788 CG PRO A 55 2.693 -0.455 -14.785 1.00 1.00 C ATOM 789 CD PRO A 55 2.623 -1.904 -14.339 1.00 1.00 C ATOM 0 HA PRO A 55 3.305 -2.244 -17.589 1.00 1.00 H new ATOM 0 HB2 PRO A 55 3.379 0.380 -16.653 1.00 1.00 H new ATOM 0 HB3 PRO A 55 1.848 -0.465 -16.771 1.00 1.00 H new ATOM 0 HG2 PRO A 55 3.543 0.053 -14.329 1.00 1.00 H new ATOM 0 HG3 PRO A 55 1.798 0.089 -14.485 1.00 1.00 H new ATOM 0 HD2 PRO A 55 3.189 -2.059 -13.420 1.00 1.00 H new ATOM 0 HD3 PRO A 55 1.595 -2.201 -14.134 1.00 1.00 H new ATOM 797 N VAL A 56 5.901 -2.110 -15.806 1.00 1.00 N ATOM 798 CA VAL A 56 7.381 -1.983 -15.675 1.00 1.00 C ATOM 799 C VAL A 56 8.101 -3.147 -16.431 1.00 1.00 C ATOM 800 O VAL A 56 9.001 -2.867 -17.245 1.00 1.00 O ATOM 801 CB VAL A 56 7.867 -1.908 -14.139 1.00 1.00 C ATOM 802 CG1 VAL A 56 9.155 -1.088 -13.987 1.00 1.00 C ATOM 803 CG2 VAL A 56 6.810 -1.314 -13.167 1.00 1.00 C ATOM 0 H VAL A 56 5.493 -2.667 -15.055 1.00 1.00 H new ATOM 0 HA VAL A 56 7.660 -1.036 -16.136 1.00 1.00 H new ATOM 0 HB VAL A 56 8.037 -2.950 -13.866 1.00 1.00 H new ATOM 0 HG11 VAL A 56 9.448 -1.062 -12.937 1.00 1.00 H new ATOM 0 HG12 VAL A 56 9.950 -1.547 -14.575 1.00 1.00 H new ATOM 0 HG13 VAL A 56 8.983 -0.071 -14.341 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.215 -1.298 -12.155 1.00 1.00 H new ATOM 0 HG22 VAL A 56 6.563 -0.298 -13.475 1.00 1.00 H new ATOM 0 HG23 VAL A 56 5.910 -1.928 -13.189 1.00 1.00 H new ATOM 813 N CYS A 57 7.678 -4.413 -16.148 1.00 1.00 N ATOM 814 CA CYS A 57 8.255 -5.615 -16.777 1.00 1.00 C ATOM 815 C CYS A 57 7.341 -6.186 -17.877 1.00 1.00 C ATOM 816 O CYS A 57 7.843 -6.466 -18.983 1.00 1.00 O ATOM 817 CB CYS A 57 8.614 -6.675 -15.714 1.00 1.00 C ATOM 818 SG CYS A 57 7.226 -7.236 -14.659 1.00 1.00 S ATOM 0 H CYS A 57 6.933 -4.617 -15.482 1.00 1.00 H new ATOM 0 HA CYS A 57 9.180 -5.317 -17.270 1.00 1.00 H new ATOM 0 HB2 CYS A 57 9.037 -7.543 -16.220 1.00 1.00 H new ATOM 0 HB3 CYS A 57 9.395 -6.269 -15.071 1.00 1.00 H new ATOM 0 HG CYS A 57 6.772 -6.232 -13.970 1.00 1.00 H new ATOM 823 N GLY A 58 6.021 -6.355 -17.561 1.00 1.00 N ATOM 824 CA GLY A 58 5.025 -6.888 -18.515 1.00 1.00 C ATOM 825 C GLY A 58 4.417 -8.237 -18.100 1.00 1.00 C ATOM 826 O GLY A 58 3.542 -8.753 -18.821 1.00 1.00 O ATOM 0 H GLY A 58 5.632 -6.126 -16.647 1.00 1.00 H new ATOM 0 HA2 GLY A 58 4.222 -6.160 -18.630 1.00 1.00 H new ATOM 0 HA3 GLY A 58 5.496 -6.999 -19.491 1.00 1.00 H new ATOM 830 N GLU A 59 4.901 -8.799 -16.948 1.00 1.00 N ATOM 831 CA GLU A 59 4.438 -10.080 -16.370 1.00 1.00 C ATOM 832 C GLU A 59 3.358 -9.850 -15.306 1.00 1.00 C ATOM 833 O GLU A 59 3.402 -8.842 -14.574 1.00 1.00 O ATOM 834 CB GLU A 59 5.621 -10.870 -15.791 1.00 1.00 C ATOM 835 CG GLU A 59 6.325 -11.747 -16.820 1.00 1.00 C ATOM 836 CD GLU A 59 7.442 -12.575 -16.215 1.00 1.00 C ATOM 837 OE1 GLU A 59 8.588 -12.080 -16.168 1.00 1.00 O ATOM 838 OE2 GLU A 59 7.169 -13.710 -15.772 1.00 1.00 O ATOM 0 H GLU A 59 5.636 -8.358 -16.395 1.00 1.00 H new ATOM 0 HA GLU A 59 3.992 -10.670 -17.171 1.00 1.00 H new ATOM 0 HB2 GLU A 59 6.342 -10.171 -15.366 1.00 1.00 H new ATOM 0 HB3 GLU A 59 5.265 -11.497 -14.974 1.00 1.00 H new ATOM 0 HG2 GLU A 59 5.596 -12.411 -17.285 1.00 1.00 H new ATOM 0 HG3 GLU A 59 6.732 -11.117 -17.611 1.00 1.00 H new ATOM 845 N GLU A 60 2.405 -10.820 -15.233 1.00 1.00 N ATOM 846 CA GLU A 60 1.237 -10.788 -14.312 1.00 1.00 C ATOM 847 C GLU A 60 1.546 -11.440 -12.962 1.00 1.00 C ATOM 848 O GLU A 60 2.204 -12.494 -12.907 1.00 1.00 O ATOM 849 CB GLU A 60 0.017 -11.468 -14.964 1.00 1.00 C ATOM 850 CG GLU A 60 -0.670 -10.629 -16.058 1.00 1.00 C ATOM 851 CD GLU A 60 -1.810 -11.346 -16.781 1.00 1.00 C ATOM 852 OE1 GLU A 60 -1.567 -12.398 -17.422 1.00 1.00 O ATOM 853 OE2 GLU A 60 -2.946 -10.825 -16.744 1.00 1.00 O ATOM 0 H GLU A 60 2.428 -11.655 -15.819 1.00 1.00 H new ATOM 0 HA GLU A 60 1.006 -9.740 -14.123 1.00 1.00 H new ATOM 0 HB2 GLU A 60 0.333 -12.417 -15.396 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -0.713 -11.699 -14.188 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -1.059 -9.716 -15.608 1.00 1.00 H new ATOM 0 HG3 GLU A 60 0.078 -10.329 -16.792 1.00 1.00 H new ATOM 860 N PHE A 61 1.033 -10.783 -11.904 1.00 1.00 N ATOM 861 CA PHE A 61 1.184 -11.191 -10.495 1.00 1.00 C ATOM 862 C PHE A 61 -0.209 -11.365 -9.856 1.00 1.00 C ATOM 863 O PHE A 61 -1.135 -10.594 -10.178 1.00 1.00 O ATOM 864 CB PHE A 61 2.081 -10.177 -9.699 1.00 1.00 C ATOM 865 CG PHE A 61 1.657 -8.699 -9.702 1.00 1.00 C ATOM 866 CD1 PHE A 61 2.089 -7.838 -10.699 1.00 1.00 C ATOM 867 CD2 PHE A 61 0.822 -8.205 -8.711 1.00 1.00 C ATOM 868 CE1 PHE A 61 1.698 -6.514 -10.708 1.00 1.00 C ATOM 869 CE2 PHE A 61 0.427 -6.880 -8.715 1.00 1.00 C ATOM 870 CZ PHE A 61 0.866 -6.033 -9.714 1.00 1.00 C ATOM 0 H PHE A 61 0.486 -9.929 -12.010 1.00 1.00 H new ATOM 0 HA PHE A 61 1.699 -12.151 -10.454 1.00 1.00 H new ATOM 0 HB2 PHE A 61 2.128 -10.511 -8.663 1.00 1.00 H new ATOM 0 HB3 PHE A 61 3.093 -10.237 -10.099 1.00 1.00 H new ATOM 0 HD1 PHE A 61 2.739 -8.207 -11.478 1.00 1.00 H new ATOM 0 HD2 PHE A 61 0.476 -8.863 -7.927 1.00 1.00 H new ATOM 0 HE1 PHE A 61 2.042 -5.854 -11.491 1.00 1.00 H new ATOM 0 HE2 PHE A 61 -0.224 -6.508 -7.938 1.00 1.00 H new ATOM 0 HZ PHE A 61 0.560 -4.997 -9.719 1.00 1.00 H new ATOM 880 N TYR A 62 -0.322 -12.350 -8.941 1.00 1.00 N ATOM 881 CA TYR A 62 -1.592 -12.688 -8.248 1.00 1.00 C ATOM 882 C TYR A 62 -1.696 -12.023 -6.864 1.00 1.00 C ATOM 883 O TYR A 62 -0.666 -11.760 -6.220 1.00 1.00 O ATOM 884 CB TYR A 62 -1.734 -14.227 -8.131 1.00 1.00 C ATOM 885 CG TYR A 62 -2.082 -14.944 -9.439 1.00 1.00 C ATOM 886 CD1 TYR A 62 -3.405 -15.086 -9.867 1.00 1.00 C ATOM 887 CD2 TYR A 62 -1.081 -15.485 -10.238 1.00 1.00 C ATOM 888 CE1 TYR A 62 -3.709 -15.740 -11.046 1.00 1.00 C ATOM 889 CE2 TYR A 62 -1.381 -16.143 -11.417 1.00 1.00 C ATOM 890 CZ TYR A 62 -2.695 -16.268 -11.815 1.00 1.00 C ATOM 891 OH TYR A 62 -2.993 -16.922 -12.988 1.00 1.00 O ATOM 0 H TYR A 62 0.463 -12.937 -8.658 1.00 1.00 H new ATOM 0 HA TYR A 62 -2.413 -12.295 -8.848 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -0.799 -14.635 -7.747 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -2.506 -14.451 -7.394 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -4.204 -14.677 -9.266 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -0.050 -15.390 -9.932 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -4.737 -15.837 -11.363 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -0.589 -16.557 -12.023 1.00 1.00 H new ATOM 0 HH TYR A 62 -2.164 -17.232 -13.409 1.00 1.00 H new ATOM 901 N GLY A 63 -2.974 -11.746 -6.431 1.00 1.00 N ATOM 902 CA GLY A 63 -3.287 -11.122 -5.105 1.00 1.00 C ATOM 903 C GLY A 63 -3.130 -12.076 -3.893 1.00 1.00 C ATOM 904 O GLY A 63 -3.193 -11.624 -2.739 1.00 1.00 O ATOM 0 H GLY A 63 -3.803 -11.949 -6.989 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -2.635 -10.260 -4.960 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -4.310 -10.747 -5.126 1.00 1.00 H new ATOM 908 N LYS A 64 -2.923 -13.392 -4.211 1.00 1.00 N ATOM 909 CA LYS A 64 -2.694 -14.484 -3.230 1.00 1.00 C ATOM 910 C LYS A 64 -1.180 -14.620 -2.842 1.00 1.00 C ATOM 911 O LYS A 64 -0.876 -15.209 -1.791 1.00 1.00 O ATOM 912 CB LYS A 64 -3.239 -15.817 -3.782 1.00 1.00 C ATOM 913 CG LYS A 64 -3.960 -16.674 -2.742 1.00 1.00 C ATOM 914 CD LYS A 64 -4.614 -17.899 -3.374 1.00 1.00 C ATOM 915 CE LYS A 64 -5.349 -18.755 -2.336 1.00 1.00 C ATOM 916 NZ LYS A 64 -4.422 -19.595 -1.511 1.00 1.00 N ATOM 0 H LYS A 64 -2.912 -13.721 -5.176 1.00 1.00 H new ATOM 0 HA LYS A 64 -3.235 -14.229 -2.319 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -3.925 -15.605 -4.602 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -2.412 -16.391 -4.199 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -3.250 -16.994 -1.979 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -4.719 -16.075 -2.240 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -5.317 -17.579 -4.143 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -3.853 -18.502 -3.868 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -5.924 -18.104 -1.678 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -6.062 -19.403 -2.846 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -4.974 -20.152 -0.827 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -3.890 -20.238 -2.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -3.758 -18.979 -1.000 1.00 1.00 H new ATOM 930 N THR A 65 -0.275 -14.063 -3.707 1.00 1.00 N ATOM 931 CA THR A 65 1.207 -14.060 -3.508 1.00 1.00 C ATOM 932 C THR A 65 1.699 -12.737 -2.823 1.00 1.00 C ATOM 933 O THR A 65 2.921 -12.563 -2.601 1.00 1.00 O ATOM 934 CB THR A 65 1.986 -14.264 -4.855 1.00 1.00 C ATOM 935 OG1 THR A 65 1.460 -13.422 -5.885 1.00 1.00 O ATOM 936 CG2 THR A 65 1.956 -15.721 -5.317 1.00 1.00 C ATOM 0 H THR A 65 -0.560 -13.600 -4.570 1.00 1.00 H new ATOM 0 HA THR A 65 1.422 -14.903 -2.851 1.00 1.00 H new ATOM 0 HB THR A 65 3.023 -13.989 -4.663 1.00 1.00 H new ATOM 0 HG1 THR A 65 0.739 -12.869 -5.519 1.00 1.00 H new ATOM 0 HG21 THR A 65 2.507 -15.817 -6.253 1.00 1.00 H new ATOM 0 HG22 THR A 65 2.417 -16.353 -4.558 1.00 1.00 H new ATOM 0 HG23 THR A 65 0.923 -16.033 -5.470 1.00 1.00 H new ATOM 944 N LEU A 66 0.724 -11.834 -2.444 1.00 1.00 N ATOM 945 CA LEU A 66 0.996 -10.527 -1.795 1.00 1.00 C ATOM 946 C LEU A 66 1.069 -10.657 -0.234 1.00 1.00 C ATOM 947 O LEU A 66 0.317 -11.486 0.309 1.00 1.00 O ATOM 948 CB LEU A 66 -0.088 -9.487 -2.150 1.00 1.00 C ATOM 949 CG LEU A 66 0.318 -8.348 -3.109 1.00 1.00 C ATOM 950 CD1 LEU A 66 -0.269 -8.571 -4.496 1.00 1.00 C ATOM 951 CD2 LEU A 66 -0.146 -7.010 -2.548 1.00 1.00 C ATOM 0 H LEU A 66 -0.270 -12.009 -2.588 1.00 1.00 H new ATOM 0 HA LEU A 66 1.962 -10.193 -2.173 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -0.933 -10.016 -2.591 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -0.443 -9.038 -1.222 1.00 1.00 H new ATOM 0 HG LEU A 66 1.404 -8.341 -3.199 1.00 1.00 H new ATOM 0 HD11 LEU A 66 0.031 -7.755 -5.154 1.00 1.00 H new ATOM 0 HD12 LEU A 66 0.097 -9.515 -4.899 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -1.357 -8.602 -4.430 1.00 1.00 H new ATOM 0 HD21 LEU A 66 0.143 -6.210 -3.229 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -1.230 -7.018 -2.438 1.00 1.00 H new ATOM 0 HD23 LEU A 66 0.316 -6.843 -1.575 1.00 1.00 H new ATOM 963 N PRO A 67 1.953 -9.834 0.543 1.00 1.00 N ATOM 964 CA PRO A 67 2.056 -9.930 2.051 1.00 1.00 C ATOM 965 C PRO A 67 0.764 -9.522 2.819 1.00 1.00 C ATOM 966 O PRO A 67 -0.040 -8.739 2.286 1.00 1.00 O ATOM 967 CB PRO A 67 3.233 -8.979 2.399 1.00 1.00 C ATOM 968 CG PRO A 67 3.321 -8.006 1.251 1.00 1.00 C ATOM 969 CD PRO A 67 2.949 -8.808 0.033 1.00 1.00 C ATOM 0 HA PRO A 67 2.210 -10.964 2.358 1.00 1.00 H new ATOM 0 HB2 PRO A 67 3.052 -8.460 3.340 1.00 1.00 H new ATOM 0 HB3 PRO A 67 4.164 -9.534 2.515 1.00 1.00 H new ATOM 0 HG2 PRO A 67 2.642 -7.165 1.393 1.00 1.00 H new ATOM 0 HG3 PRO A 67 4.325 -7.592 1.160 1.00 1.00 H new ATOM 0 HD2 PRO A 67 2.508 -8.177 -0.739 1.00 1.00 H new ATOM 0 HD3 PRO A 67 3.823 -9.288 -0.408 1.00 1.00 H new ATOM 977 N ARG A 68 0.603 -10.067 4.066 1.00 1.00 N ATOM 978 CA ARG A 68 -0.569 -9.786 4.976 1.00 1.00 C ATOM 979 C ARG A 68 -0.657 -8.304 5.427 1.00 1.00 C ATOM 980 O ARG A 68 -1.761 -7.805 5.689 1.00 1.00 O ATOM 981 CB ARG A 68 -0.563 -10.729 6.184 1.00 1.00 C ATOM 982 CG ARG A 68 -1.108 -12.126 5.878 1.00 1.00 C ATOM 983 CD ARG A 68 -1.009 -13.043 7.088 1.00 1.00 C ATOM 984 NE ARG A 68 -1.560 -14.398 6.822 1.00 1.00 N ATOM 985 CZ ARG A 68 -1.436 -15.507 7.620 1.00 1.00 C ATOM 986 NH1 ARG A 68 -0.745 -15.517 8.777 1.00 1.00 N ATOM 987 NH2 ARG A 68 -2.020 -16.630 7.238 1.00 1.00 N ATOM 0 H ARG A 68 1.279 -10.714 4.473 1.00 1.00 H new ATOM 0 HA ARG A 68 -1.465 -9.977 4.386 1.00 1.00 H new ATOM 0 HB2 ARG A 68 0.457 -10.821 6.557 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -1.156 -10.285 6.983 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -2.149 -12.050 5.562 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -0.553 -12.559 5.046 1.00 1.00 H new ATOM 0 HD2 ARG A 68 0.035 -13.131 7.388 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -1.545 -12.594 7.925 1.00 1.00 H new ATOM 0 HE ARG A 68 -2.085 -14.515 5.956 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -0.280 -14.669 9.100 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -0.687 -16.373 9.329 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -2.549 -16.659 6.366 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -1.942 -17.467 7.815 1.00 1.00 H new ATOM 1001 N ARG A 69 0.549 -7.645 5.558 1.00 1.00 N ATOM 1002 CA ARG A 69 0.713 -6.173 5.877 1.00 1.00 C ATOM 1003 C ARG A 69 0.016 -5.232 4.849 1.00 1.00 C ATOM 1004 O ARG A 69 -0.542 -4.198 5.250 1.00 1.00 O ATOM 1005 CB ARG A 69 2.210 -5.800 5.964 1.00 1.00 C ATOM 1006 CG ARG A 69 2.926 -6.317 7.210 1.00 1.00 C ATOM 1007 CD ARG A 69 4.406 -5.962 7.196 1.00 1.00 C ATOM 1008 NE ARG A 69 5.097 -6.434 8.421 1.00 1.00 N ATOM 1009 CZ ARG A 69 6.445 -6.420 8.666 1.00 1.00 C ATOM 1010 NH1 ARG A 69 7.359 -5.984 7.779 1.00 1.00 N ATOM 1011 NH2 ARG A 69 6.876 -6.862 9.837 1.00 1.00 N ATOM 0 H ARG A 69 1.442 -8.124 5.444 1.00 1.00 H new ATOM 0 HA ARG A 69 0.224 -6.024 6.840 1.00 1.00 H new ATOM 0 HB2 ARG A 69 2.719 -6.188 5.082 1.00 1.00 H new ATOM 0 HB3 ARG A 69 2.302 -4.714 5.933 1.00 1.00 H new ATOM 0 HG2 ARG A 69 2.459 -5.895 8.100 1.00 1.00 H new ATOM 0 HG3 ARG A 69 2.812 -7.399 7.273 1.00 1.00 H new ATOM 0 HD2 ARG A 69 4.878 -6.405 6.319 1.00 1.00 H new ATOM 0 HD3 ARG A 69 4.520 -4.882 7.108 1.00 1.00 H new ATOM 0 HE ARG A 69 4.504 -6.810 9.161 1.00 1.00 H new ATOM 0 HH11 ARG A 69 7.060 -5.640 6.867 1.00 1.00 H new ATOM 0 HH12 ARG A 69 8.350 -5.998 8.019 1.00 1.00 H new ATOM 0 HH21 ARG A 69 6.210 -7.202 10.531 1.00 1.00 H new ATOM 0 HH22 ARG A 69 7.874 -6.863 10.046 1.00 1.00 H new ATOM 1025 N GLU A 70 0.070 -5.619 3.527 1.00 1.00 N ATOM 1026 CA GLU A 70 -0.603 -4.902 2.397 1.00 1.00 C ATOM 1027 C GLU A 70 -2.129 -5.185 2.340 1.00 1.00 C ATOM 1028 O GLU A 70 -2.897 -4.342 1.854 1.00 1.00 O ATOM 1029 CB GLU A 70 0.040 -5.273 1.060 1.00 1.00 C ATOM 1030 CG GLU A 70 1.280 -4.455 0.724 1.00 1.00 C ATOM 1031 CD GLU A 70 1.838 -4.776 -0.649 1.00 1.00 C ATOM 1032 OE1 GLU A 70 1.348 -4.191 -1.639 1.00 1.00 O ATOM 1033 OE2 GLU A 70 2.757 -5.617 -0.737 1.00 1.00 O ATOM 0 H GLU A 70 0.587 -6.443 3.221 1.00 1.00 H new ATOM 0 HA GLU A 70 -0.470 -3.836 2.582 1.00 1.00 H new ATOM 0 HB2 GLU A 70 0.307 -6.330 1.077 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -0.695 -5.143 0.266 1.00 1.00 H new ATOM 0 HG2 GLU A 70 1.035 -3.394 0.773 1.00 1.00 H new ATOM 0 HG3 GLU A 70 2.047 -4.640 1.476 1.00 1.00 H new ATOM 1040 N ALA A 71 -2.529 -6.409 2.844 1.00 1.00 N ATOM 1041 CA ALA A 71 -3.945 -6.893 2.963 1.00 1.00 C ATOM 1042 C ALA A 71 -4.771 -6.079 4.002 1.00 1.00 C ATOM 1043 O ALA A 71 -5.988 -5.918 3.837 1.00 1.00 O ATOM 1044 CB ALA A 71 -3.960 -8.371 3.325 1.00 1.00 C ATOM 0 H ALA A 71 -1.855 -7.095 3.184 1.00 1.00 H new ATOM 0 HA ALA A 71 -4.418 -6.745 1.992 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -4.991 -8.714 3.409 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.450 -8.941 2.548 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -3.450 -8.518 4.277 1.00 1.00 H new ATOM 1050 N GLU A 72 -4.055 -5.593 5.079 1.00 1.00 N ATOM 1051 CA GLU A 72 -4.608 -4.727 6.175 1.00 1.00 C ATOM 1052 C GLU A 72 -4.890 -3.274 5.697 1.00 1.00 C ATOM 1053 O GLU A 72 -5.736 -2.586 6.284 1.00 1.00 O ATOM 1054 CB GLU A 72 -3.660 -4.707 7.382 1.00 1.00 C ATOM 1055 CG GLU A 72 -3.801 -5.919 8.296 1.00 1.00 C ATOM 1056 CD GLU A 72 -2.902 -5.840 9.514 1.00 1.00 C ATOM 1057 OE1 GLU A 72 -1.728 -6.254 9.417 1.00 1.00 O ATOM 1058 OE2 GLU A 72 -3.374 -5.363 10.569 1.00 1.00 O ATOM 0 H GLU A 72 -3.064 -5.799 5.205 1.00 1.00 H new ATOM 0 HA GLU A 72 -5.561 -5.166 6.472 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -2.632 -4.652 7.024 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -3.845 -3.803 7.962 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -4.838 -6.006 8.620 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -3.566 -6.823 7.734 1.00 1.00 H new ATOM 1065 N LYS A 73 -4.141 -2.842 4.620 1.00 1.00 N ATOM 1066 CA LYS A 73 -4.278 -1.515 3.926 1.00 1.00 C ATOM 1067 C LYS A 73 -5.554 -1.433 3.049 1.00 1.00 C ATOM 1068 O LYS A 73 -6.070 -0.333 2.811 1.00 1.00 O ATOM 1069 CB LYS A 73 -3.050 -1.205 3.054 1.00 1.00 C ATOM 1070 CG LYS A 73 -1.840 -0.696 3.830 1.00 1.00 C ATOM 1071 CD LYS A 73 -0.652 -0.429 2.914 1.00 1.00 C ATOM 1072 CE LYS A 73 0.546 0.097 3.690 1.00 1.00 C ATOM 1073 NZ LYS A 73 1.715 0.359 2.804 1.00 1.00 N ATOM 0 H LYS A 73 -3.412 -3.423 4.206 1.00 1.00 H new ATOM 0 HA LYS A 73 -4.357 -0.772 4.720 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -2.766 -2.108 2.513 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -3.328 -0.460 2.308 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -2.106 0.220 4.357 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -1.559 -1.429 4.586 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -0.376 -1.348 2.397 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -0.937 0.294 2.149 1.00 1.00 H new ATOM 0 HE2 LYS A 73 0.269 1.017 4.205 1.00 1.00 H new ATOM 0 HE3 LYS A 73 0.827 -0.625 4.456 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 2.235 1.189 3.152 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 2.344 -0.469 2.805 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 1.383 0.540 1.835 1.00 1.00 H new ATOM 1087 N VAL A 74 -6.036 -2.635 2.572 1.00 1.00 N ATOM 1088 CA VAL A 74 -7.277 -2.833 1.720 1.00 1.00 C ATOM 1089 C VAL A 74 -8.562 -2.418 2.527 1.00 1.00 C ATOM 1090 O VAL A 74 -9.483 -1.861 1.943 1.00 1.00 O ATOM 1091 CB VAL A 74 -7.416 -4.327 1.129 1.00 1.00 C ATOM 1092 CG1 VAL A 74 -8.389 -4.426 -0.064 1.00 1.00 C ATOM 1093 CG2 VAL A 74 -6.076 -4.929 0.658 1.00 1.00 C ATOM 0 H VAL A 74 -5.563 -3.516 2.773 1.00 1.00 H new ATOM 0 HA VAL A 74 -7.172 -2.181 0.853 1.00 1.00 H new ATOM 0 HB VAL A 74 -7.803 -4.890 1.979 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -8.434 -5.458 -0.412 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -9.382 -4.104 0.249 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -8.039 -3.786 -0.873 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -6.244 -5.935 0.273 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -5.653 -4.305 -0.129 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -5.382 -4.974 1.497 1.00 1.00 H new ATOM 1103 N PHE A 75 -8.590 -2.706 3.871 1.00 1.00 N ATOM 1104 CA PHE A 75 -9.688 -2.315 4.824 1.00 1.00 C ATOM 1105 C PHE A 75 -9.904 -0.778 4.928 1.00 1.00 C ATOM 1106 O PHE A 75 -11.034 -0.331 5.157 1.00 1.00 O ATOM 1107 CB PHE A 75 -9.358 -2.860 6.226 1.00 1.00 C ATOM 1108 CG PHE A 75 -9.666 -4.325 6.437 1.00 1.00 C ATOM 1109 CD1 PHE A 75 -8.742 -5.314 6.114 1.00 1.00 C ATOM 1110 CD2 PHE A 75 -10.887 -4.712 6.969 1.00 1.00 C ATOM 1111 CE1 PHE A 75 -9.035 -6.647 6.309 1.00 1.00 C ATOM 1112 CE2 PHE A 75 -11.186 -6.045 7.165 1.00 1.00 C ATOM 1113 CZ PHE A 75 -10.260 -7.014 6.832 1.00 1.00 C ATOM 0 H PHE A 75 -7.840 -3.224 4.329 1.00 1.00 H new ATOM 0 HA PHE A 75 -10.609 -2.744 4.430 1.00 1.00 H new ATOM 0 HB2 PHE A 75 -8.298 -2.696 6.422 1.00 1.00 H new ATOM 0 HB3 PHE A 75 -9.912 -2.279 6.964 1.00 1.00 H new ATOM 0 HD1 PHE A 75 -7.783 -5.034 5.705 1.00 1.00 H new ATOM 0 HD2 PHE A 75 -11.615 -3.959 7.234 1.00 1.00 H new ATOM 0 HE1 PHE A 75 -8.308 -7.403 6.053 1.00 1.00 H new ATOM 0 HE2 PHE A 75 -12.142 -6.330 7.578 1.00 1.00 H new ATOM 0 HZ PHE A 75 -10.493 -8.058 6.980 1.00 1.00 H new ATOM 1123 N GLU A 76 -8.786 0.006 4.717 1.00 1.00 N ATOM 1124 CA GLU A 76 -8.749 1.497 4.797 1.00 1.00 C ATOM 1125 C GLU A 76 -9.573 2.189 3.681 1.00 1.00 C ATOM 1126 O GLU A 76 -10.305 3.130 3.984 1.00 1.00 O ATOM 1127 CB GLU A 76 -7.283 2.001 4.763 1.00 1.00 C ATOM 1128 CG GLU A 76 -6.980 3.161 5.727 1.00 1.00 C ATOM 1129 CD GLU A 76 -6.449 2.679 7.066 1.00 1.00 C ATOM 1130 OE1 GLU A 76 -7.269 2.352 7.948 1.00 1.00 O ATOM 1131 OE2 GLU A 76 -5.210 2.619 7.227 1.00 1.00 O ATOM 0 H GLU A 76 -7.879 -0.397 4.484 1.00 1.00 H new ATOM 0 HA GLU A 76 -9.213 1.768 5.745 1.00 1.00 H new ATOM 0 HB2 GLU A 76 -6.621 1.168 4.999 1.00 1.00 H new ATOM 0 HB3 GLU A 76 -7.046 2.319 3.748 1.00 1.00 H new ATOM 0 HG2 GLU A 76 -6.250 3.829 5.269 1.00 1.00 H new ATOM 0 HG3 GLU A 76 -7.888 3.743 5.888 1.00 1.00 H new ATOM 1138 N LEU A 77 -9.454 1.676 2.406 1.00 1.00 N ATOM 1139 CA LEU A 77 -10.188 2.185 1.202 1.00 1.00 C ATOM 1140 C LEU A 77 -11.718 1.870 1.246 1.00 1.00 C ATOM 1141 O LEU A 77 -12.531 2.659 0.737 1.00 1.00 O ATOM 1142 CB LEU A 77 -9.545 1.659 -0.124 1.00 1.00 C ATOM 1143 CG LEU A 77 -9.279 0.135 -0.276 1.00 1.00 C ATOM 1144 CD1 LEU A 77 -10.393 -0.531 -1.074 1.00 1.00 C ATOM 1145 CD2 LEU A 77 -7.920 -0.136 -0.911 1.00 1.00 C ATOM 0 H LEU A 77 -8.839 0.891 2.191 1.00 1.00 H new ATOM 0 HA LEU A 77 -10.091 3.270 1.222 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.191 1.965 -0.947 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.594 2.175 -0.256 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.266 -0.299 0.724 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -10.186 -1.597 -1.168 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -11.344 -0.390 -0.560 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -10.448 -0.083 -2.066 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -7.769 -1.212 -1.001 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.883 0.320 -1.900 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -7.135 0.290 -0.286 1.00 1.00 H new ATOM 1157 N LEU A 78 -12.050 0.694 1.866 1.00 1.00 N ATOM 1158 CA LEU A 78 -13.436 0.194 2.071 1.00 1.00 C ATOM 1159 C LEU A 78 -14.140 0.845 3.309 1.00 1.00 C ATOM 1160 O LEU A 78 -15.379 0.780 3.410 1.00 1.00 O ATOM 1161 CB LEU A 78 -13.417 -1.334 2.225 1.00 1.00 C ATOM 1162 CG LEU A 78 -13.296 -2.130 0.916 1.00 1.00 C ATOM 1163 CD1 LEU A 78 -12.128 -3.089 0.974 1.00 1.00 C ATOM 1164 CD2 LEU A 78 -14.573 -2.885 0.619 1.00 1.00 C ATOM 0 H LEU A 78 -11.344 0.061 2.241 1.00 1.00 H new ATOM 0 HA LEU A 78 -14.014 0.478 1.191 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.584 -1.606 2.873 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -14.331 -1.642 2.734 1.00 1.00 H new ATOM 0 HG LEU A 78 -13.121 -1.416 0.111 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -12.063 -3.641 0.036 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -11.206 -2.530 1.130 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -12.272 -3.789 1.797 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -14.460 -3.439 -0.313 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -14.782 -3.580 1.432 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -15.399 -2.180 0.523 1.00 1.00 H new ATOM 1176 N ASN A 79 -13.323 1.443 4.231 1.00 1.00 N ATOM 1177 CA ASN A 79 -13.801 2.150 5.446 1.00 1.00 C ATOM 1178 C ASN A 79 -13.765 3.696 5.271 1.00 1.00 C ATOM 1179 O ASN A 79 -14.393 4.421 6.073 1.00 1.00 O ATOM 1180 CB ASN A 79 -12.974 1.724 6.672 1.00 1.00 C ATOM 1181 CG ASN A 79 -13.551 0.501 7.370 1.00 1.00 C ATOM 1182 OD1 ASN A 79 -14.592 0.580 8.023 1.00 1.00 O ATOM 1183 ND2 ASN A 79 -12.877 -0.634 7.239 1.00 1.00 N ATOM 0 H ASN A 79 -12.307 1.443 4.143 1.00 1.00 H new ATOM 0 HA ASN A 79 -14.842 1.867 5.604 1.00 1.00 H new ATOM 0 HB2 ASN A 79 -11.952 1.511 6.360 1.00 1.00 H new ATOM 0 HB3 ASN A 79 -12.926 2.552 7.379 1.00 1.00 H new ATOM 0 HD21 ASN A 79 -13.217 -1.484 7.688 1.00 1.00 H new ATOM 0 HD22 ASN A 79 -12.018 -0.657 6.689 1.00 1.00 H new ATOM 1190 N ASP A 80 -13.049 4.169 4.201 1.00 1.00 N ATOM 1191 CA ASP A 80 -12.905 5.582 3.852 1.00 1.00 C ATOM 1192 C ASP A 80 -13.695 5.872 2.558 1.00 1.00 C ATOM 1193 O ASP A 80 -13.140 6.062 1.449 1.00 1.00 O ATOM 1194 CB ASP A 80 -11.414 5.993 3.745 1.00 1.00 C ATOM 1195 CG ASP A 80 -10.771 6.247 5.092 1.00 1.00 C ATOM 1196 OD1 ASP A 80 -11.099 7.274 5.723 1.00 1.00 O ATOM 1197 OD2 ASP A 80 -9.939 5.418 5.514 1.00 1.00 O ATOM 0 H ASP A 80 -12.555 3.549 3.559 1.00 1.00 H new ATOM 0 HA ASP A 80 -13.325 6.194 4.650 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -10.863 5.208 3.228 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -11.334 6.893 3.135 1.00 1.00 H new ATOM 1202 N PHE A 81 -15.041 5.807 2.721 1.00 1.00 N ATOM 1203 CA PHE A 81 -16.045 6.124 1.645 1.00 1.00 C ATOM 1204 C PHE A 81 -16.192 7.655 1.382 1.00 1.00 C ATOM 1205 O PHE A 81 -16.609 8.053 0.279 1.00 1.00 O ATOM 1206 CB PHE A 81 -17.426 5.524 1.981 1.00 1.00 C ATOM 1207 CG PHE A 81 -17.688 4.146 1.404 1.00 1.00 C ATOM 1208 CD1 PHE A 81 -18.225 3.993 0.125 1.00 1.00 C ATOM 1209 CD2 PHE A 81 -17.420 3.005 2.147 1.00 1.00 C ATOM 1210 CE1 PHE A 81 -18.477 2.738 -0.392 1.00 1.00 C ATOM 1211 CE2 PHE A 81 -17.674 1.748 1.630 1.00 1.00 C ATOM 1212 CZ PHE A 81 -18.202 1.614 0.361 1.00 1.00 C ATOM 0 H PHE A 81 -15.474 5.533 3.603 1.00 1.00 H new ATOM 0 HA PHE A 81 -15.660 5.668 0.733 1.00 1.00 H new ATOM 0 HB2 PHE A 81 -17.528 5.472 3.065 1.00 1.00 H new ATOM 0 HB3 PHE A 81 -18.198 6.204 1.620 1.00 1.00 H new ATOM 0 HD1 PHE A 81 -18.446 4.868 -0.468 1.00 1.00 H new ATOM 0 HD2 PHE A 81 -17.008 3.100 3.141 1.00 1.00 H new ATOM 0 HE1 PHE A 81 -18.889 2.636 -1.385 1.00 1.00 H new ATOM 0 HE2 PHE A 81 -17.459 0.869 2.220 1.00 1.00 H new ATOM 0 HZ PHE A 81 -18.399 0.632 -0.042 1.00 1.00 H new ATOM 1222 N LYS A 82 -15.843 8.466 2.422 1.00 1.00 N ATOM 1223 CA LYS A 82 -15.862 9.936 2.386 1.00 1.00 C ATOM 1224 C LYS A 82 -14.423 10.461 2.321 1.00 1.00 C ATOM 1225 O LYS A 82 -13.546 9.974 3.072 1.00 1.00 O ATOM 1226 CB LYS A 82 -16.583 10.499 3.624 1.00 1.00 C ATOM 1227 CG LYS A 82 -18.099 10.556 3.493 1.00 1.00 C ATOM 1228 CD LYS A 82 -18.756 11.007 4.796 1.00 1.00 C ATOM 1229 CE LYS A 82 -20.287 11.004 4.708 1.00 1.00 C ATOM 1230 NZ LYS A 82 -20.823 12.201 3.988 1.00 1.00 N ATOM 0 H LYS A 82 -15.536 8.096 3.322 1.00 1.00 H new ATOM 0 HA LYS A 82 -16.406 10.264 1.500 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -16.327 9.887 4.489 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -16.209 11.503 3.823 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -18.371 11.242 2.691 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -18.479 9.573 3.214 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -18.440 10.350 5.606 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -18.411 12.010 5.046 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -20.616 10.099 4.197 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -20.705 10.972 5.714 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -21.861 12.151 3.956 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -20.533 13.066 4.488 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -20.447 12.220 3.018 1.00 1.00 H new ATOM 1244 N GLY A 83 -14.210 11.446 1.414 1.00 1.00 N ATOM 1245 CA GLY A 83 -12.899 12.064 1.197 1.00 1.00 C ATOM 1246 C GLY A 83 -12.773 12.664 -0.187 1.00 1.00 C ATOM 1247 O GLY A 83 -13.215 13.810 -0.399 1.00 1.00 O ATOM 0 H GLY A 83 -14.946 11.826 0.819 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -12.737 12.841 1.944 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -12.119 11.317 1.340 1.00 1.00 H new ATOM 1251 N GLY A 84 -12.160 11.871 -1.109 1.00 1.00 N ATOM 1252 CA GLY A 84 -11.954 12.276 -2.510 1.00 1.00 C ATOM 1253 C GLY A 84 -12.225 11.163 -3.513 1.00 1.00 C ATOM 1254 O GLY A 84 -11.366 10.906 -4.379 1.00 1.00 O ATOM 0 H GLY A 84 -11.800 10.941 -0.894 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -12.604 13.122 -2.734 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -10.928 12.622 -2.632 1.00 1.00 H new ATOM 1258 N ILE A 85 -13.416 10.521 -3.385 1.00 1.00 N ATOM 1259 CA ILE A 85 -13.859 9.409 -4.274 1.00 1.00 C ATOM 1260 C ILE A 85 -15.167 9.847 -4.967 1.00 1.00 C ATOM 1261 O ILE A 85 -16.162 10.157 -4.284 1.00 1.00 O ATOM 1262 CB ILE A 85 -14.068 7.993 -3.534 1.00 1.00 C ATOM 1263 CG1 ILE A 85 -13.043 7.719 -2.409 1.00 1.00 C ATOM 1264 CG2 ILE A 85 -13.985 6.802 -4.517 1.00 1.00 C ATOM 1265 CD1 ILE A 85 -13.624 7.888 -1.026 1.00 1.00 C ATOM 0 H ILE A 85 -14.097 10.758 -2.664 1.00 1.00 H new ATOM 0 HA ILE A 85 -13.057 9.231 -4.990 1.00 1.00 H new ATOM 0 HB ILE A 85 -15.065 8.074 -3.101 1.00 1.00 H new ATOM 0 HG12 ILE A 85 -12.659 6.704 -2.514 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -12.195 8.394 -2.526 1.00 1.00 H new ATOM 0 HG21 ILE A 85 -14.132 5.870 -3.972 1.00 1.00 H new ATOM 0 HG22 ILE A 85 -14.759 6.904 -5.278 1.00 1.00 H new ATOM 0 HG23 ILE A 85 -13.005 6.792 -4.995 1.00 1.00 H new ATOM 0 HD11 ILE A 85 -12.856 7.682 -0.281 1.00 1.00 H new ATOM 0 HD12 ILE A 85 -13.983 8.910 -0.904 1.00 1.00 H new ATOM 0 HD13 ILE A 85 -14.454 7.194 -0.893 1.00 1.00 H new ATOM 1277 N ASP A 86 -15.110 9.851 -6.320 1.00 1.00 N ATOM 1278 CA ASP A 86 -16.239 10.211 -7.196 1.00 1.00 C ATOM 1279 C ASP A 86 -16.507 9.103 -8.209 1.00 1.00 C ATOM 1280 O ASP A 86 -15.560 8.575 -8.828 1.00 1.00 O ATOM 1281 CB ASP A 86 -15.974 11.538 -7.928 1.00 1.00 C ATOM 1282 CG ASP A 86 -16.289 12.750 -7.072 1.00 1.00 C ATOM 1283 OD1 ASP A 86 -17.487 13.035 -6.864 1.00 1.00 O ATOM 1284 OD2 ASP A 86 -15.337 13.420 -6.615 1.00 1.00 O ATOM 0 H ASP A 86 -14.266 9.600 -6.835 1.00 1.00 H new ATOM 0 HA ASP A 86 -17.120 10.336 -6.566 1.00 1.00 H new ATOM 0 HB2 ASP A 86 -14.929 11.577 -8.235 1.00 1.00 H new ATOM 0 HB3 ASP A 86 -16.575 11.574 -8.837 1.00 1.00 H new ATOM 1289 N TRP A 87 -17.817 8.753 -8.349 1.00 1.00 N ATOM 1290 CA TRP A 87 -18.323 7.711 -9.301 1.00 1.00 C ATOM 1291 C TRP A 87 -18.463 8.227 -10.754 1.00 1.00 C ATOM 1292 O TRP A 87 -18.278 7.445 -11.700 1.00 1.00 O ATOM 1293 CB TRP A 87 -19.660 7.136 -8.811 1.00 1.00 C ATOM 1294 CG TRP A 87 -19.515 6.150 -7.668 1.00 1.00 C ATOM 1295 CD1 TRP A 87 -19.766 6.416 -6.353 1.00 1.00 C ATOM 1296 CD2 TRP A 87 -19.082 4.759 -7.719 1.00 1.00 C ATOM 1297 NE1 TRP A 87 -19.531 5.303 -5.587 1.00 1.00 N ATOM 1298 CE2 TRP A 87 -19.114 4.280 -6.395 1.00 1.00 C ATOM 1299 CE3 TRP A 87 -18.677 3.868 -8.743 1.00 1.00 C ATOM 1300 CZ2 TRP A 87 -18.761 2.981 -6.064 1.00 1.00 C ATOM 1301 CZ3 TRP A 87 -18.325 2.575 -8.403 1.00 1.00 C ATOM 1302 CH2 TRP A 87 -18.372 2.142 -7.074 1.00 1.00 C ATOM 0 H TRP A 87 -18.560 9.187 -7.802 1.00 1.00 H new ATOM 0 HA TRP A 87 -17.571 6.922 -9.320 1.00 1.00 H new ATOM 0 HB2 TRP A 87 -20.304 7.956 -8.493 1.00 1.00 H new ATOM 0 HB3 TRP A 87 -20.161 6.643 -9.644 1.00 1.00 H new ATOM 0 HD1 TRP A 87 -20.102 7.368 -5.970 1.00 1.00 H new ATOM 0 HE1 TRP A 87 -19.648 5.247 -4.575 1.00 1.00 H new ATOM 0 HE3 TRP A 87 -18.644 4.193 -9.772 1.00 1.00 H new ATOM 0 HZ2 TRP A 87 -18.792 2.641 -5.040 1.00 1.00 H new ATOM 0 HZ3 TRP A 87 -18.009 1.889 -9.175 1.00 1.00 H new ATOM 0 HH2 TRP A 87 -18.096 1.125 -6.839 1.00 1.00 H new ATOM 1313 N GLU A 88 -18.790 9.549 -10.889 1.00 1.00 N ATOM 1314 CA GLU A 88 -18.954 10.265 -12.191 1.00 1.00 C ATOM 1315 C GLU A 88 -17.600 10.729 -12.805 1.00 1.00 C ATOM 1316 O GLU A 88 -17.452 10.703 -14.037 1.00 1.00 O ATOM 1317 CB GLU A 88 -19.894 11.475 -12.018 1.00 1.00 C ATOM 1318 CG GLU A 88 -21.378 11.119 -12.027 1.00 1.00 C ATOM 1319 CD GLU A 88 -22.268 12.330 -11.824 1.00 1.00 C ATOM 1320 OE1 GLU A 88 -22.566 12.661 -10.657 1.00 1.00 O ATOM 1321 OE2 GLU A 88 -22.669 12.947 -12.834 1.00 1.00 O ATOM 0 H GLU A 88 -18.949 10.154 -10.083 1.00 1.00 H new ATOM 0 HA GLU A 88 -19.391 9.550 -12.888 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -19.657 11.974 -11.078 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -19.698 12.190 -12.817 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -21.628 10.643 -12.975 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -21.578 10.390 -11.242 1.00 1.00 H new ATOM 1328 N ASN A 89 -16.646 11.154 -11.918 1.00 1.00 N ATOM 1329 CA ASN A 89 -15.284 11.618 -12.306 1.00 1.00 C ATOM 1330 C ASN A 89 -14.224 10.490 -12.274 1.00 1.00 C ATOM 1331 O ASN A 89 -13.181 10.617 -12.933 1.00 1.00 O ATOM 1332 CB ASN A 89 -14.840 12.779 -11.400 1.00 1.00 C ATOM 1333 CG ASN A 89 -15.044 14.146 -12.034 1.00 1.00 C ATOM 1334 OD1 ASN A 89 -16.042 14.819 -11.778 1.00 1.00 O ATOM 1335 ND2 ASN A 89 -14.088 14.570 -12.855 1.00 1.00 N ATOM 0 H ASN A 89 -16.807 11.182 -10.911 1.00 1.00 H new ATOM 0 HA ASN A 89 -15.355 11.957 -13.340 1.00 1.00 H new ATOM 0 HB2 ASN A 89 -15.396 12.733 -10.464 1.00 1.00 H new ATOM 0 HB3 ASN A 89 -13.786 12.655 -11.151 1.00 1.00 H new ATOM 0 HD21 ASN A 89 -14.166 15.485 -13.299 1.00 1.00 H new ATOM 0 HD22 ASN A 89 -13.276 13.981 -13.040 1.00 1.00 H new ATOM 1342 N LYS A 90 -14.510 9.353 -11.515 1.00 1.00 N ATOM 1343 CA LYS A 90 -13.627 8.122 -11.334 1.00 1.00 C ATOM 1344 C LYS A 90 -12.214 8.459 -10.729 1.00 1.00 C ATOM 1345 O LYS A 90 -11.134 8.149 -11.306 1.00 1.00 O ATOM 1346 CB LYS A 90 -13.534 7.247 -12.639 1.00 1.00 C ATOM 1347 CG LYS A 90 -14.789 6.458 -12.978 1.00 1.00 C ATOM 1348 CD LYS A 90 -14.648 5.778 -14.334 1.00 1.00 C ATOM 1349 CE LYS A 90 -15.876 4.939 -14.689 1.00 1.00 C ATOM 1350 NZ LYS A 90 -15.849 3.592 -14.047 1.00 1.00 N ATOM 0 H LYS A 90 -15.386 9.270 -11.000 1.00 1.00 H new ATOM 0 HA LYS A 90 -14.128 7.506 -10.588 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -13.296 7.900 -13.479 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -12.703 6.550 -12.532 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -14.973 5.709 -12.208 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -15.652 7.124 -12.988 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -14.492 6.534 -15.103 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -13.764 5.141 -14.329 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -16.777 5.469 -14.379 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -15.932 4.822 -15.771 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -16.260 2.890 -14.695 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -14.866 3.330 -13.831 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -16.402 3.616 -13.167 1.00 1.00 H new ATOM 1364 N ARG A 91 -12.277 9.110 -9.545 1.00 1.00 N ATOM 1365 CA ARG A 91 -11.084 9.542 -8.791 1.00 1.00 C ATOM 1366 C ARG A 91 -10.999 8.805 -7.465 1.00 1.00 C ATOM 1367 O ARG A 91 -11.991 8.759 -6.703 1.00 1.00 O ATOM 1368 CB ARG A 91 -11.074 11.066 -8.578 1.00 1.00 C ATOM 1369 CG ARG A 91 -10.700 11.859 -9.825 1.00 1.00 C ATOM 1370 CD ARG A 91 -10.765 13.348 -9.571 1.00 1.00 C ATOM 1371 NE ARG A 91 -10.404 14.132 -10.776 1.00 1.00 N ATOM 1372 CZ ARG A 91 -10.074 15.457 -10.826 1.00 1.00 C ATOM 1373 NH1 ARG A 91 -10.004 16.249 -9.737 1.00 1.00 N ATOM 1374 NH2 ARG A 91 -9.806 15.991 -12.006 1.00 1.00 N ATOM 0 H ARG A 91 -13.157 9.349 -9.088 1.00 1.00 H new ATOM 0 HA ARG A 91 -10.203 9.291 -9.382 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -12.061 11.383 -8.240 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -10.371 11.307 -7.781 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -9.694 11.586 -10.144 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -11.374 11.598 -10.640 1.00 1.00 H new ATOM 0 HD2 ARG A 91 -11.771 13.618 -9.251 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -10.091 13.607 -8.755 1.00 1.00 H new ATOM 0 HE ARG A 91 -10.402 13.628 -11.663 1.00 1.00 H new ATOM 0 HH11 ARG A 91 -10.203 15.865 -8.813 1.00 1.00 H new ATOM 0 HH12 ARG A 91 -9.752 17.232 -9.837 1.00 1.00 H new ATOM 0 HH21 ARG A 91 -9.849 15.416 -12.847 1.00 1.00 H new ATOM 0 HH22 ARG A 91 -9.557 16.978 -12.074 1.00 1.00 H new ATOM 1388 N VAL A 92 -9.807 8.223 -7.232 1.00 1.00 N ATOM 1389 CA VAL A 92 -9.495 7.433 -6.015 1.00 1.00 C ATOM 1390 C VAL A 92 -8.245 8.040 -5.346 1.00 1.00 C ATOM 1391 O VAL A 92 -7.198 8.183 -6.005 1.00 1.00 O ATOM 1392 CB VAL A 92 -9.268 5.861 -6.289 1.00 1.00 C ATOM 1393 CG1 VAL A 92 -9.518 5.002 -5.026 1.00 1.00 C ATOM 1394 CG2 VAL A 92 -10.138 5.285 -7.428 1.00 1.00 C ATOM 0 H VAL A 92 -9.025 8.285 -7.884 1.00 1.00 H new ATOM 0 HA VAL A 92 -10.366 7.491 -5.362 1.00 1.00 H new ATOM 0 HB VAL A 92 -8.222 5.804 -6.590 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -9.352 3.951 -5.262 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -8.833 5.309 -4.236 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -10.545 5.141 -4.689 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -9.924 4.223 -7.547 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -11.192 5.418 -7.184 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -9.913 5.807 -8.358 1.00 1.00 H new ATOM 1404 N LYS A 93 -8.408 8.378 -4.045 1.00 1.00 N ATOM 1405 CA LYS A 93 -7.335 8.922 -3.197 1.00 1.00 C ATOM 1406 C LYS A 93 -7.114 8.015 -1.989 1.00 1.00 C ATOM 1407 O LYS A 93 -8.090 7.613 -1.317 1.00 1.00 O ATOM 1408 CB LYS A 93 -7.649 10.356 -2.749 1.00 1.00 C ATOM 1409 CG LYS A 93 -7.212 11.420 -3.747 1.00 1.00 C ATOM 1410 CD LYS A 93 -7.590 12.810 -3.267 1.00 1.00 C ATOM 1411 CE LYS A 93 -7.090 13.890 -4.210 1.00 1.00 C ATOM 1412 NZ LYS A 93 -7.458 15.252 -3.732 1.00 1.00 N ATOM 0 H LYS A 93 -9.297 8.278 -3.556 1.00 1.00 H new ATOM 0 HA LYS A 93 -6.419 8.956 -3.786 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -8.722 10.448 -2.581 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -7.159 10.544 -1.794 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -6.133 11.364 -3.894 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -7.676 11.228 -4.714 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -8.674 12.881 -3.176 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -7.176 12.976 -2.273 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -6.006 13.818 -4.304 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -7.508 13.728 -5.204 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -7.100 15.963 -4.401 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -8.493 15.329 -3.666 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -7.038 15.416 -2.795 1.00 1.00 H new ATOM 1426 N LEU A 94 -5.819 7.700 -1.750 1.00 1.00 N ATOM 1427 CA LEU A 94 -5.364 6.842 -0.649 1.00 1.00 C ATOM 1428 C LEU A 94 -4.405 7.600 0.259 1.00 1.00 C ATOM 1429 O LEU A 94 -3.478 8.283 -0.230 1.00 1.00 O ATOM 1430 CB LEU A 94 -4.691 5.574 -1.196 1.00 1.00 C ATOM 1431 CG LEU A 94 -5.652 4.457 -1.642 1.00 1.00 C ATOM 1432 CD1 LEU A 94 -5.287 3.943 -3.027 1.00 1.00 C ATOM 1433 CD2 LEU A 94 -5.653 3.308 -0.636 1.00 1.00 C ATOM 0 H LEU A 94 -5.055 8.045 -2.331 1.00 1.00 H new ATOM 0 HA LEU A 94 -6.235 6.547 -0.063 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -4.065 5.852 -2.044 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -4.028 5.175 -0.428 1.00 1.00 H new ATOM 0 HG LEU A 94 -6.655 4.881 -1.686 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -5.982 3.155 -3.317 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -5.345 4.761 -3.745 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -4.272 3.545 -3.012 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -6.339 2.531 -0.972 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -4.648 2.894 -0.555 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -5.973 3.678 0.338 1.00 1.00 H new ATOM 1445 N LYS A 95 -4.665 7.467 1.575 1.00 1.00 N ATOM 1446 CA LYS A 95 -3.873 8.105 2.641 1.00 1.00 C ATOM 1447 C LYS A 95 -3.102 7.065 3.457 1.00 1.00 C ATOM 1448 O LYS A 95 -3.681 6.003 3.782 1.00 1.00 O ATOM 1449 CB LYS A 95 -4.783 8.928 3.554 1.00 1.00 C ATOM 1450 CG LYS A 95 -4.739 10.417 3.260 1.00 1.00 C ATOM 1451 CD LYS A 95 -5.755 11.181 4.092 1.00 1.00 C ATOM 1452 CE LYS A 95 -5.705 12.672 3.802 1.00 1.00 C ATOM 1453 NZ LYS A 95 -6.702 13.430 4.611 1.00 1.00 N ATOM 1454 OXT LYS A 95 -1.919 7.322 3.763 1.00 1.00 O ATOM 0 H LYS A 95 -5.440 6.907 1.930 1.00 1.00 H new ATOM 0 HA LYS A 95 -3.147 8.768 2.171 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -5.808 8.574 3.449 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -4.493 8.761 4.591 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -3.739 10.800 3.464 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -4.934 10.585 2.201 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -6.756 10.802 3.884 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -5.563 11.009 5.151 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -4.704 13.049 4.013 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -5.893 12.842 2.742 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -6.636 14.443 4.384 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -7.659 13.088 4.392 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -6.507 13.289 5.623 1.00 1.00 H new