USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 730 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 112 THR OG1 : rot 83:sc= 1.11 USER MOD Set 1.2: A 116 ASN : amide:sc= -0.58 K(o=0.53,f=-0.62!) USER MOD Set 2.1: A 77 TYR OH : rot 30:sc= 0.033 USER MOD Set 2.2: A 125 ASN : amide:sc= 0.805 K(o=0.84,f=0.27) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.5!) USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= -0.0402 (180deg=-1.11) USER MOD Single : A 75 ASN : amide:sc= -0.728 K(o=-0.73,f=-2.7) USER MOD Single : A 78 TYR OH : rot 30:sc= -0.424 USER MOD Single : A 81 ASN : amide:sc= 0.0221 X(o=0.022,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0639 K(o=-0.064,f=-0.88) USER MOD Single : A 90 HIS : no HE2:sc=-0.00632 K(o=-0.0063,f=-5.4!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.709 K(o=0.71,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.436 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 118:sc= 1.13 USER MOD Single : A 110 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 113 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.78) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 122 LYS NZ :NH3+ 156:sc= 0.107 (180deg=0.0197) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.55) USER MOD Single : A 129 GLN : amide:sc= -0.324 K(o=-0.32,f=-1.8!) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 141 SER OG : rot 70:sc= -0.454! USER MOD Single : A 143 LYS NZ :NH3+ -156:sc= 1.21 (180deg=1.15) USER MOD Single : A 144 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 52 2.576 -15.053 -4.176 1.00 0.00 N ATOM 2 CA ALA A 52 2.133 -13.837 -4.824 1.00 0.00 C ATOM 3 C ALA A 52 2.285 -12.662 -3.867 1.00 0.00 C ATOM 4 O ALA A 52 2.603 -11.559 -4.293 1.00 0.00 O ATOM 5 CB ALA A 52 0.668 -14.026 -5.194 1.00 0.00 C ATOM 0 HA ALA A 52 2.727 -13.631 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.298 -13.127 -5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.570 -14.876 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.086 -14.211 -4.291 1.00 0.00 H new ATOM 11 N GLU A 53 2.114 -12.904 -2.568 1.00 0.00 N ATOM 12 CA GLU A 53 2.187 -11.874 -1.536 1.00 0.00 C ATOM 13 C GLU A 53 3.586 -11.242 -1.471 1.00 0.00 C ATOM 14 O GLU A 53 3.790 -10.163 -0.919 1.00 0.00 O ATOM 15 CB GLU A 53 1.866 -12.495 -0.182 1.00 0.00 C ATOM 16 CG GLU A 53 0.559 -13.303 -0.109 1.00 0.00 C ATOM 17 CD GLU A 53 -0.164 -13.027 1.212 1.00 0.00 C ATOM 18 OE1 GLU A 53 0.406 -13.283 2.302 1.00 0.00 O ATOM 19 OE2 GLU A 53 -1.257 -12.417 1.150 1.00 0.00 O ATOM 0 H GLU A 53 1.918 -13.835 -2.199 1.00 0.00 H new ATOM 0 HA GLU A 53 1.466 -11.095 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.691 -13.148 0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.820 -11.698 0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.087 -13.039 -0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.776 -14.368 -0.197 1.00 0.00 H new ATOM 26 N ASN A 54 4.579 -11.915 -2.050 1.00 0.00 N ATOM 27 CA ASN A 54 5.950 -11.443 -2.110 1.00 0.00 C ATOM 28 C ASN A 54 6.106 -10.195 -2.985 1.00 0.00 C ATOM 29 O ASN A 54 7.062 -9.434 -2.828 1.00 0.00 O ATOM 30 CB ASN A 54 6.796 -12.559 -2.707 1.00 0.00 C ATOM 31 CG ASN A 54 8.208 -12.459 -2.179 1.00 0.00 C ATOM 32 OD1 ASN A 54 9.111 -11.897 -2.789 1.00 0.00 O ATOM 33 ND2 ASN A 54 8.368 -12.979 -0.978 1.00 0.00 N ATOM 0 H ASN A 54 4.444 -12.821 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 54 6.264 -11.176 -1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.369 -13.529 -2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.797 -12.487 -3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.275 -12.924 -0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.585 -13.437 -0.512 1.00 0.00 H new ATOM 40 N ARG A 55 5.176 -10.007 -3.929 1.00 0.00 N ATOM 41 CA ARG A 55 5.190 -8.963 -4.950 1.00 0.00 C ATOM 42 C ARG A 55 5.302 -7.579 -4.328 1.00 0.00 C ATOM 43 O ARG A 55 4.703 -7.311 -3.282 1.00 0.00 O ATOM 44 CB ARG A 55 3.880 -9.046 -5.741 1.00 0.00 C ATOM 45 CG ARG A 55 3.861 -10.092 -6.863 1.00 0.00 C ATOM 46 CD ARG A 55 2.405 -10.345 -7.281 1.00 0.00 C ATOM 47 NE ARG A 55 2.194 -11.138 -8.505 1.00 0.00 N ATOM 48 CZ ARG A 55 2.778 -12.257 -8.949 1.00 0.00 C ATOM 49 NH1 ARG A 55 3.882 -12.756 -8.402 1.00 0.00 N ATOM 50 NH2 ARG A 55 2.223 -12.904 -9.962 1.00 0.00 N ATOM 0 H ARG A 55 4.356 -10.609 -4.002 1.00 0.00 H new ATOM 0 HA ARG A 55 6.054 -9.117 -5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.068 -9.266 -5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.673 -8.068 -6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.443 -9.741 -7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.322 -11.019 -6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.898 -10.849 -6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.917 -9.379 -7.413 1.00 0.00 H new ATOM 0 HE ARG A 55 1.474 -10.767 -9.125 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.318 -12.283 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.293 -13.612 -8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.367 -12.547 -10.388 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.651 -13.759 -10.317 1.00 0.00 H new ATOM 64 N PRO A 56 5.920 -6.635 -5.047 1.00 0.00 N ATOM 65 CA PRO A 56 6.083 -5.268 -4.597 1.00 0.00 C ATOM 66 C PRO A 56 4.761 -4.477 -4.615 1.00 0.00 C ATOM 67 O PRO A 56 4.766 -3.269 -4.440 1.00 0.00 O ATOM 68 CB PRO A 56 7.185 -4.692 -5.493 1.00 0.00 C ATOM 69 CG PRO A 56 7.125 -5.501 -6.784 1.00 0.00 C ATOM 70 CD PRO A 56 6.523 -6.834 -6.356 1.00 0.00 C ATOM 0 HA PRO A 56 6.374 -5.205 -3.548 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.020 -3.632 -5.686 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.163 -4.781 -5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.509 -5.008 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.116 -5.632 -7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.776 -7.168 -7.077 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.291 -7.606 -6.312 1.00 0.00 H new ATOM 78 N GLY A 57 3.603 -5.103 -4.807 1.00 0.00 N ATOM 79 CA GLY A 57 2.331 -4.395 -4.832 1.00 0.00 C ATOM 80 C GLY A 57 1.128 -5.318 -4.753 1.00 0.00 C ATOM 81 O GLY A 57 0.060 -4.937 -5.220 1.00 0.00 O ATOM 0 H GLY A 57 3.522 -6.110 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.297 -3.693 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.269 -3.806 -5.747 1.00 0.00 H new ATOM 85 N ALA A 58 1.283 -6.536 -4.231 1.00 0.00 N ATOM 86 CA ALA A 58 0.173 -7.474 -4.121 1.00 0.00 C ATOM 87 C ALA A 58 -0.946 -6.882 -3.246 1.00 0.00 C ATOM 88 O ALA A 58 -0.666 -6.198 -2.254 1.00 0.00 O ATOM 89 CB ALA A 58 0.720 -8.805 -3.597 1.00 0.00 C ATOM 0 H ALA A 58 2.171 -6.893 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.283 -7.659 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.095 -9.523 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.467 -9.190 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.178 -8.651 -2.620 1.00 0.00 H new ATOM 95 N PHE A 59 -2.201 -7.108 -3.639 1.00 0.00 N ATOM 96 CA PHE A 59 -3.395 -6.623 -2.954 1.00 0.00 C ATOM 97 C PHE A 59 -3.719 -7.512 -1.750 1.00 0.00 C ATOM 98 O PHE A 59 -3.915 -8.714 -1.931 1.00 0.00 O ATOM 99 CB PHE A 59 -4.574 -6.598 -3.943 1.00 0.00 C ATOM 100 CG PHE A 59 -4.733 -5.358 -4.815 1.00 0.00 C ATOM 101 CD1 PHE A 59 -3.779 -4.318 -4.821 1.00 0.00 C ATOM 102 CD2 PHE A 59 -5.913 -5.206 -5.573 1.00 0.00 C ATOM 103 CE1 PHE A 59 -4.043 -3.131 -5.521 1.00 0.00 C ATOM 104 CE2 PHE A 59 -6.153 -4.024 -6.299 1.00 0.00 C ATOM 105 CZ PHE A 59 -5.222 -2.977 -6.255 1.00 0.00 C ATOM 0 H PHE A 59 -2.419 -7.653 -4.473 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.215 -5.613 -2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.480 -7.462 -4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.494 -6.729 -3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.847 -4.436 -4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.640 -6.005 -5.597 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.325 -2.325 -5.492 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.052 -3.924 -6.889 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.415 -2.056 -6.786 1.00 0.00 H new ATOM 115 N ILE A 60 -3.793 -6.922 -0.546 1.00 0.00 N ATOM 116 CA ILE A 60 -4.078 -7.642 0.703 1.00 0.00 C ATOM 117 C ILE A 60 -5.545 -8.114 0.771 1.00 0.00 C ATOM 118 O ILE A 60 -5.782 -9.299 0.967 1.00 0.00 O ATOM 119 CB ILE A 60 -3.628 -6.799 1.931 1.00 0.00 C ATOM 120 CG1 ILE A 60 -2.082 -6.703 1.943 1.00 0.00 C ATOM 121 CG2 ILE A 60 -4.127 -7.409 3.252 1.00 0.00 C ATOM 122 CD1 ILE A 60 -1.463 -5.954 3.131 1.00 0.00 C ATOM 0 H ILE A 60 -3.655 -5.920 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.487 -8.558 0.724 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.064 -5.804 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.675 -7.714 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.761 -6.213 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.793 -6.793 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.216 -7.451 3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.726 -8.417 3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.377 -5.950 3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.829 -4.928 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.742 -6.451 4.060 1.00 0.00 H new ATOM 134 N LYS A 61 -6.517 -7.205 0.597 1.00 0.00 N ATOM 135 CA LYS A 61 -7.971 -7.452 0.522 1.00 0.00 C ATOM 136 C LYS A 61 -8.540 -8.456 1.554 1.00 0.00 C ATOM 137 O LYS A 61 -8.960 -9.562 1.226 1.00 0.00 O ATOM 138 CB LYS A 61 -8.437 -7.671 -0.945 1.00 0.00 C ATOM 139 CG LYS A 61 -7.646 -8.606 -1.854 1.00 0.00 C ATOM 140 CD LYS A 61 -7.925 -10.069 -1.506 1.00 0.00 C ATOM 141 CE LYS A 61 -7.391 -11.125 -2.468 1.00 0.00 C ATOM 142 NZ LYS A 61 -7.188 -12.392 -1.733 1.00 0.00 N ATOM 0 H LYS A 61 -6.298 -6.214 0.498 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.442 -6.528 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.462 -8.040 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.466 -6.694 -1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.911 -8.418 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.580 -8.401 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.507 -10.268 -0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.004 -10.198 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.092 -11.275 -3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.451 -10.791 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.824 -13.117 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.504 -12.242 -0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.094 -12.710 -1.333 1.00 0.00 H new ATOM 156 N GLN A 62 -8.648 -8.032 2.819 1.00 0.00 N ATOM 157 CA GLN A 62 -9.249 -8.853 3.882 1.00 0.00 C ATOM 158 C GLN A 62 -10.787 -8.855 3.896 1.00 0.00 C ATOM 159 O GLN A 62 -11.376 -9.547 4.721 1.00 0.00 O ATOM 160 CB GLN A 62 -8.738 -8.447 5.257 1.00 0.00 C ATOM 161 CG GLN A 62 -7.216 -8.482 5.364 1.00 0.00 C ATOM 162 CD GLN A 62 -6.513 -9.819 5.091 1.00 0.00 C ATOM 163 OE1 GLN A 62 -6.675 -10.459 4.060 1.00 0.00 O ATOM 164 NE2 GLN A 62 -5.680 -10.272 6.011 1.00 0.00 N ATOM 0 H GLN A 62 -8.325 -7.118 3.135 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.933 -9.870 3.647 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.089 -7.441 5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.165 -9.112 6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.814 -7.744 4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.943 -8.158 6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.538 -9.746 6.874 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.179 -11.147 5.859 1.00 0.00 H new ATOM 173 N GLY A 63 -11.477 -8.078 3.063 1.00 0.00 N ATOM 174 CA GLY A 63 -12.934 -8.064 3.015 1.00 0.00 C ATOM 175 C GLY A 63 -13.535 -7.255 4.158 1.00 0.00 C ATOM 176 O GLY A 63 -14.413 -7.755 4.869 1.00 0.00 O ATOM 0 H GLY A 63 -11.038 -7.439 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.261 -7.645 2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.308 -9.087 3.059 1.00 0.00 H new ATOM 180 N ARG A 64 -13.088 -6.013 4.366 1.00 0.00 N ATOM 181 CA ARG A 64 -13.573 -5.145 5.448 1.00 0.00 C ATOM 182 C ARG A 64 -14.053 -3.799 4.912 1.00 0.00 C ATOM 183 O ARG A 64 -14.111 -3.619 3.701 1.00 0.00 O ATOM 184 CB ARG A 64 -12.578 -5.051 6.601 1.00 0.00 C ATOM 185 CG ARG A 64 -11.198 -4.591 6.198 1.00 0.00 C ATOM 186 CD ARG A 64 -10.412 -4.440 7.516 1.00 0.00 C ATOM 187 NE ARG A 64 -9.042 -4.885 7.327 1.00 0.00 N ATOM 188 CZ ARG A 64 -8.203 -5.382 8.241 1.00 0.00 C ATOM 189 NH1 ARG A 64 -8.472 -5.374 9.538 1.00 0.00 N ATOM 190 NH2 ARG A 64 -7.060 -5.898 7.831 1.00 0.00 N ATOM 0 H ARG A 64 -12.373 -5.576 3.784 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.455 -5.611 5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -12.972 -4.364 7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -12.497 -6.029 7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.721 -5.315 5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.242 -3.646 5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.424 -3.399 7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.888 -5.025 8.303 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.675 -4.809 6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.349 -4.977 9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.802 -5.765 10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.834 -5.911 6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.402 -6.284 8.509 1.00 0.00 H new ATOM 204 N LYS A 65 -14.404 -2.842 5.767 1.00 0.00 N ATOM 205 CA LYS A 65 -14.700 -1.466 5.378 1.00 0.00 C ATOM 206 C LYS A 65 -13.980 -0.553 6.391 1.00 0.00 C ATOM 207 O LYS A 65 -13.824 -0.954 7.545 1.00 0.00 O ATOM 208 CB LYS A 65 -16.232 -1.280 5.327 1.00 0.00 C ATOM 209 CG LYS A 65 -16.717 -0.507 4.094 1.00 0.00 C ATOM 210 CD LYS A 65 -18.247 -0.291 4.016 1.00 0.00 C ATOM 211 CE LYS A 65 -18.941 0.567 5.078 1.00 0.00 C ATOM 212 NZ LYS A 65 -19.093 -0.008 6.427 1.00 0.00 N ATOM 0 H LYS A 65 -14.492 -3.005 6.770 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.339 -1.209 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.709 -2.260 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -16.556 -0.754 6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.227 0.466 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.395 -1.040 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -18.466 0.152 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -18.717 -1.274 4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -18.386 1.500 5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -19.934 0.822 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.976 0.337 6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -19.122 -1.045 6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.288 0.279 7.019 1.00 0.00 H new ATOM 226 N LEU A 66 -13.474 0.606 5.967 1.00 0.00 N ATOM 227 CA LEU A 66 -12.654 1.563 6.705 1.00 0.00 C ATOM 228 C LEU A 66 -13.462 2.872 6.861 1.00 0.00 C ATOM 229 O LEU A 66 -14.648 2.836 7.195 1.00 0.00 O ATOM 230 CB LEU A 66 -11.320 1.809 5.957 1.00 0.00 C ATOM 231 CG LEU A 66 -10.365 0.682 5.547 1.00 0.00 C ATOM 232 CD1 LEU A 66 -9.710 -0.008 6.734 1.00 0.00 C ATOM 233 CD2 LEU A 66 -10.916 -0.359 4.591 1.00 0.00 C ATOM 0 H LEU A 66 -13.644 0.925 5.013 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.406 1.173 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.574 2.345 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.741 2.493 6.577 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.612 1.230 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.046 -0.795 6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.134 0.720 7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.479 -0.444 7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.146 -1.101 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.777 -0.850 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.221 0.124 3.663 1.00 0.00 H new ATOM 245 N ASP A 67 -12.816 4.021 6.633 1.00 0.00 N ATOM 246 CA ASP A 67 -13.339 5.387 6.708 1.00 0.00 C ATOM 247 C ASP A 67 -12.714 6.275 5.605 1.00 0.00 C ATOM 248 O ASP A 67 -12.570 7.486 5.783 1.00 0.00 O ATOM 249 CB ASP A 67 -13.044 5.931 8.118 1.00 0.00 C ATOM 250 CG ASP A 67 -13.741 7.261 8.421 1.00 0.00 C ATOM 251 OD1 ASP A 67 -14.970 7.366 8.227 1.00 0.00 O ATOM 252 OD2 ASP A 67 -13.065 8.174 8.962 1.00 0.00 O ATOM 0 H ASP A 67 -11.831 4.017 6.369 1.00 0.00 H new ATOM 0 HA ASP A 67 -14.415 5.393 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.355 5.191 8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.968 6.061 8.230 1.00 0.00 H new ATOM 257 N ILE A 68 -12.287 5.695 4.469 1.00 0.00 N ATOM 258 CA ILE A 68 -11.549 6.445 3.440 1.00 0.00 C ATOM 259 C ILE A 68 -12.564 7.255 2.614 1.00 0.00 C ATOM 260 O ILE A 68 -13.478 6.675 2.030 1.00 0.00 O ATOM 261 CB ILE A 68 -10.689 5.543 2.507 1.00 0.00 C ATOM 262 CG1 ILE A 68 -10.230 4.177 3.078 1.00 0.00 C ATOM 263 CG2 ILE A 68 -9.536 6.369 1.902 1.00 0.00 C ATOM 264 CD1 ILE A 68 -9.248 3.407 2.190 1.00 0.00 C ATOM 0 H ILE A 68 -12.440 4.712 4.242 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.841 7.100 3.948 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.365 5.221 1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.766 4.343 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.109 3.556 3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.937 5.734 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.946 7.198 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.909 6.760 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.984 2.465 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.712 3.204 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.348 4.003 2.041 1.00 0.00 H new ATOM 276 N ASP A 69 -12.443 8.584 2.575 1.00 0.00 N ATOM 277 CA ASP A 69 -13.328 9.460 1.791 1.00 0.00 C ATOM 278 C ASP A 69 -12.900 9.450 0.315 1.00 0.00 C ATOM 279 O ASP A 69 -11.703 9.476 0.020 1.00 0.00 O ATOM 280 CB ASP A 69 -13.263 10.895 2.350 1.00 0.00 C ATOM 281 CG ASP A 69 -13.739 11.937 1.328 1.00 0.00 C ATOM 282 OD1 ASP A 69 -12.921 12.407 0.510 1.00 0.00 O ATOM 283 OD2 ASP A 69 -14.953 12.237 1.294 1.00 0.00 O ATOM 0 H ASP A 69 -11.723 9.090 3.090 1.00 0.00 H new ATOM 0 HA ASP A 69 -14.352 9.094 1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.878 10.962 3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.239 11.121 2.647 1.00 0.00 H new ATOM 288 N PHE A 70 -13.875 9.485 -0.604 1.00 0.00 N ATOM 289 CA PHE A 70 -13.654 9.549 -2.055 1.00 0.00 C ATOM 290 C PHE A 70 -14.480 10.634 -2.746 1.00 0.00 C ATOM 291 O PHE A 70 -14.428 10.731 -3.978 1.00 0.00 O ATOM 292 CB PHE A 70 -13.953 8.197 -2.716 1.00 0.00 C ATOM 293 CG PHE A 70 -12.991 7.107 -2.338 1.00 0.00 C ATOM 294 CD1 PHE A 70 -13.251 6.334 -1.202 1.00 0.00 C ATOM 295 CD2 PHE A 70 -11.816 6.898 -3.081 1.00 0.00 C ATOM 296 CE1 PHE A 70 -12.311 5.387 -0.795 1.00 0.00 C ATOM 297 CE2 PHE A 70 -10.883 5.937 -2.654 1.00 0.00 C ATOM 298 CZ PHE A 70 -11.121 5.187 -1.498 1.00 0.00 C ATOM 0 H PHE A 70 -14.863 9.469 -0.352 1.00 0.00 H new ATOM 0 HA PHE A 70 -12.602 9.804 -2.180 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -14.962 7.887 -2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -13.938 8.322 -3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -14.168 6.468 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -11.631 7.473 -3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.508 4.794 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.978 5.777 -3.221 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.396 4.464 -1.154 1.00 0.00 H new ATOM 308 N GLY A 71 -15.275 11.410 -2.007 1.00 0.00 N ATOM 309 CA GLY A 71 -16.040 12.515 -2.552 1.00 0.00 C ATOM 310 C GLY A 71 -17.529 12.315 -2.331 1.00 0.00 C ATOM 311 O GLY A 71 -18.014 12.577 -1.227 1.00 0.00 O ATOM 0 H GLY A 71 -15.402 11.281 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.722 13.447 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.838 12.609 -3.619 1.00 0.00 H new ATOM 315 N ALA A 72 -18.268 11.967 -3.389 1.00 0.00 N ATOM 316 CA ALA A 72 -19.655 11.534 -3.330 1.00 0.00 C ATOM 317 C ALA A 72 -19.824 10.144 -3.946 1.00 0.00 C ATOM 318 O ALA A 72 -19.983 9.149 -3.238 1.00 0.00 O ATOM 319 CB ALA A 72 -20.566 12.593 -3.964 1.00 0.00 C ATOM 0 H ALA A 72 -17.898 11.982 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 72 -19.959 11.437 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -21.602 12.258 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -20.462 13.533 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -20.282 12.741 -5.006 1.00 0.00 H new ATOM 325 N GLU A 73 -19.803 10.093 -5.279 1.00 0.00 N ATOM 326 CA GLU A 73 -20.033 8.896 -6.077 1.00 0.00 C ATOM 327 C GLU A 73 -19.065 7.781 -5.705 1.00 0.00 C ATOM 328 O GLU A 73 -19.489 6.635 -5.571 1.00 0.00 O ATOM 329 CB GLU A 73 -20.043 9.220 -7.581 1.00 0.00 C ATOM 330 CG GLU A 73 -18.901 10.124 -8.075 1.00 0.00 C ATOM 331 CD GLU A 73 -18.774 10.158 -9.601 1.00 0.00 C ATOM 332 OE1 GLU A 73 -19.787 10.059 -10.325 1.00 0.00 O ATOM 333 OE2 GLU A 73 -17.633 10.327 -10.088 1.00 0.00 O ATOM 0 H GLU A 73 -19.618 10.918 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 73 -21.028 8.517 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -20.006 8.283 -8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -20.992 9.698 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -19.064 11.137 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.961 9.777 -7.646 1.00 0.00 H new ATOM 340 N GLY A 74 -17.792 8.106 -5.476 1.00 0.00 N ATOM 341 CA GLY A 74 -16.807 7.122 -5.067 1.00 0.00 C ATOM 342 C GLY A 74 -17.166 6.463 -3.739 1.00 0.00 C ATOM 343 O GLY A 74 -17.064 5.242 -3.628 1.00 0.00 O ATOM 0 H GLY A 74 -17.424 9.053 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.719 6.357 -5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.832 7.601 -4.981 1.00 0.00 H new ATOM 347 N ASN A 75 -17.600 7.243 -2.742 1.00 0.00 N ATOM 348 CA ASN A 75 -17.933 6.697 -1.426 1.00 0.00 C ATOM 349 C ASN A 75 -19.151 5.785 -1.539 1.00 0.00 C ATOM 350 O ASN A 75 -19.103 4.640 -1.092 1.00 0.00 O ATOM 351 CB ASN A 75 -18.052 7.802 -0.358 1.00 0.00 C ATOM 352 CG ASN A 75 -19.392 8.519 -0.226 1.00 0.00 C ATOM 353 OD1 ASN A 75 -20.450 7.929 -0.061 1.00 0.00 O ATOM 354 ND2 ASN A 75 -19.394 9.831 -0.300 1.00 0.00 N ATOM 0 H ASN A 75 -17.728 8.252 -2.823 1.00 0.00 H new ATOM 0 HA ASN A 75 -17.113 6.074 -1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -17.811 7.361 0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -17.289 8.552 -0.565 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -20.271 10.345 -0.220 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -18.518 10.335 -0.437 1.00 0.00 H new ATOM 361 N ARG A 76 -20.199 6.232 -2.239 1.00 0.00 N ATOM 362 CA ARG A 76 -21.386 5.429 -2.499 1.00 0.00 C ATOM 363 C ARG A 76 -20.998 4.097 -3.134 1.00 0.00 C ATOM 364 O ARG A 76 -21.540 3.055 -2.765 1.00 0.00 O ATOM 365 CB ARG A 76 -22.339 6.231 -3.395 1.00 0.00 C ATOM 366 CG ARG A 76 -22.946 7.438 -2.659 1.00 0.00 C ATOM 367 CD ARG A 76 -24.443 7.326 -2.361 1.00 0.00 C ATOM 368 NE ARG A 76 -24.790 6.113 -1.609 1.00 0.00 N ATOM 369 CZ ARG A 76 -25.740 5.968 -0.682 1.00 0.00 C ATOM 370 NH1 ARG A 76 -26.470 6.991 -0.252 1.00 0.00 N ATOM 371 NH2 ARG A 76 -25.965 4.759 -0.197 1.00 0.00 N ATOM 0 H ARG A 76 -20.242 7.168 -2.641 1.00 0.00 H new ATOM 0 HA ARG A 76 -21.896 5.200 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -21.801 6.578 -4.277 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -23.140 5.580 -3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -22.413 7.577 -1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -22.776 8.333 -3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -24.761 8.201 -1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -24.996 7.335 -3.300 1.00 0.00 H new ATOM 0 HE ARG A 76 -24.239 5.281 -1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -26.313 7.925 -0.632 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -27.187 6.843 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -25.419 3.965 -0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -26.685 4.620 0.512 1.00 0.00 H new ATOM 385 N TYR A 77 -20.079 4.119 -4.093 1.00 0.00 N ATOM 386 CA TYR A 77 -19.664 2.926 -4.806 1.00 0.00 C ATOM 387 C TYR A 77 -18.783 1.996 -3.979 1.00 0.00 C ATOM 388 O TYR A 77 -18.832 0.787 -4.199 1.00 0.00 O ATOM 389 CB TYR A 77 -18.903 3.353 -6.047 1.00 0.00 C ATOM 390 CG TYR A 77 -19.204 2.467 -7.215 1.00 0.00 C ATOM 391 CD1 TYR A 77 -20.378 2.707 -7.953 1.00 0.00 C ATOM 392 CD2 TYR A 77 -18.306 1.452 -7.585 1.00 0.00 C ATOM 393 CE1 TYR A 77 -20.629 1.968 -9.116 1.00 0.00 C ATOM 394 CE2 TYR A 77 -18.553 0.714 -8.751 1.00 0.00 C ATOM 395 CZ TYR A 77 -19.697 0.995 -9.534 1.00 0.00 C ATOM 396 OH TYR A 77 -19.914 0.323 -10.687 1.00 0.00 O ATOM 0 H TYR A 77 -19.602 4.969 -4.395 1.00 0.00 H new ATOM 0 HA TYR A 77 -20.565 2.365 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -19.161 4.382 -6.296 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -17.833 3.333 -5.842 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -21.082 3.457 -7.624 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -17.437 1.243 -6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -21.529 2.142 -9.688 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.871 -0.068 -9.051 1.00 0.00 H new ATOM 0 HH TYR A 77 -20.412 0.893 -11.309 1.00 0.00 H new ATOM 406 N TYR A 78 -17.985 2.532 -3.053 1.00 0.00 N ATOM 407 CA TYR A 78 -17.181 1.742 -2.130 1.00 0.00 C ATOM 408 C TYR A 78 -18.140 0.905 -1.286 1.00 0.00 C ATOM 409 O TYR A 78 -18.082 -0.322 -1.288 1.00 0.00 O ATOM 410 CB TYR A 78 -16.341 2.679 -1.242 1.00 0.00 C ATOM 411 CG TYR A 78 -15.133 2.096 -0.530 1.00 0.00 C ATOM 412 CD1 TYR A 78 -14.889 0.711 -0.463 1.00 0.00 C ATOM 413 CD2 TYR A 78 -14.277 2.970 0.161 1.00 0.00 C ATOM 414 CE1 TYR A 78 -13.766 0.226 0.229 1.00 0.00 C ATOM 415 CE2 TYR A 78 -13.106 2.487 0.772 1.00 0.00 C ATOM 416 CZ TYR A 78 -12.790 1.122 0.712 1.00 0.00 C ATOM 417 OH TYR A 78 -11.644 0.673 1.291 1.00 0.00 O ATOM 0 H TYR A 78 -17.881 3.539 -2.925 1.00 0.00 H new ATOM 0 HA TYR A 78 -16.493 1.089 -2.667 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -15.995 3.506 -1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -17.002 3.103 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -15.566 0.020 -0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -14.520 4.020 0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -13.650 -0.835 0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.448 3.170 1.289 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.400 -0.194 0.904 1.00 0.00 H new ATOM 427 N GLU A 79 -19.082 1.585 -0.632 1.00 0.00 N ATOM 428 CA GLU A 79 -20.059 1.056 0.314 1.00 0.00 C ATOM 429 C GLU A 79 -20.915 -0.051 -0.273 1.00 0.00 C ATOM 430 O GLU A 79 -21.471 -0.867 0.465 1.00 0.00 O ATOM 431 CB GLU A 79 -20.982 2.198 0.712 1.00 0.00 C ATOM 432 CG GLU A 79 -20.222 3.219 1.550 1.00 0.00 C ATOM 433 CD GLU A 79 -20.116 2.845 3.014 1.00 0.00 C ATOM 434 OE1 GLU A 79 -21.146 2.541 3.657 1.00 0.00 O ATOM 435 OE2 GLU A 79 -18.973 2.913 3.520 1.00 0.00 O ATOM 0 H GLU A 79 -19.188 2.591 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 79 -19.512 0.637 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -21.386 2.677 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -21.829 1.811 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -19.219 3.338 1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -20.717 4.186 1.466 1.00 0.00 H new ATOM 442 N ALA A 80 -21.006 -0.078 -1.596 1.00 0.00 N ATOM 443 CA ALA A 80 -21.734 -1.099 -2.309 1.00 0.00 C ATOM 444 C ALA A 80 -21.080 -2.478 -2.252 1.00 0.00 C ATOM 445 O ALA A 80 -21.788 -3.485 -2.177 1.00 0.00 O ATOM 446 CB ALA A 80 -21.879 -0.660 -3.769 1.00 0.00 C ATOM 0 H ALA A 80 -20.570 0.617 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 80 -22.703 -1.205 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -22.428 -1.420 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -22.422 0.284 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -20.891 -0.531 -4.210 1.00 0.00 H new ATOM 452 N ASN A 81 -19.756 -2.558 -2.384 1.00 0.00 N ATOM 453 CA ASN A 81 -19.046 -3.806 -2.676 1.00 0.00 C ATOM 454 C ASN A 81 -17.569 -3.664 -2.315 1.00 0.00 C ATOM 455 O ASN A 81 -16.662 -4.028 -3.056 1.00 0.00 O ATOM 456 CB ASN A 81 -19.287 -4.250 -4.130 1.00 0.00 C ATOM 457 CG ASN A 81 -19.165 -3.140 -5.157 1.00 0.00 C ATOM 458 OD1 ASN A 81 -20.153 -2.709 -5.746 1.00 0.00 O ATOM 459 ND2 ASN A 81 -17.975 -2.621 -5.352 1.00 0.00 N ATOM 0 H ASN A 81 -19.139 -1.751 -2.291 1.00 0.00 H new ATOM 0 HA ASN A 81 -19.444 -4.608 -2.054 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -18.575 -5.037 -4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -20.283 -4.687 -4.203 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -17.858 -1.845 -6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -17.168 -2.994 -4.852 1.00 0.00 H new ATOM 466 N TYR A 82 -17.338 -3.127 -1.128 1.00 0.00 N ATOM 467 CA TYR A 82 -16.055 -2.775 -0.539 1.00 0.00 C ATOM 468 C TYR A 82 -15.117 -3.966 -0.346 1.00 0.00 C ATOM 469 O TYR A 82 -13.898 -3.812 -0.403 1.00 0.00 O ATOM 470 CB TYR A 82 -16.352 -2.124 0.821 1.00 0.00 C ATOM 471 CG TYR A 82 -17.462 -2.810 1.601 1.00 0.00 C ATOM 472 CD1 TYR A 82 -17.147 -3.892 2.440 1.00 0.00 C ATOM 473 CD2 TYR A 82 -18.804 -2.387 1.470 1.00 0.00 C ATOM 474 CE1 TYR A 82 -18.162 -4.591 3.108 1.00 0.00 C ATOM 475 CE2 TYR A 82 -19.807 -3.032 2.216 1.00 0.00 C ATOM 476 CZ TYR A 82 -19.498 -4.160 3.011 1.00 0.00 C ATOM 477 OH TYR A 82 -20.462 -4.839 3.689 1.00 0.00 O ATOM 0 H TYR A 82 -18.109 -2.907 -0.498 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.536 -2.102 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.442 -2.128 1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -16.624 -1.080 0.662 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -16.116 -4.187 2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.057 -1.576 0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -17.918 -5.462 3.698 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -20.821 -2.663 2.181 1.00 0.00 H new ATOM 0 HH TYR A 82 -21.333 -4.422 3.524 1.00 0.00 H new ATOM 487 N TRP A 83 -15.668 -5.163 -0.152 1.00 0.00 N ATOM 488 CA TRP A 83 -14.907 -6.395 0.011 1.00 0.00 C ATOM 489 C TRP A 83 -14.049 -6.719 -1.218 1.00 0.00 C ATOM 490 O TRP A 83 -13.057 -7.443 -1.099 1.00 0.00 O ATOM 491 CB TRP A 83 -15.879 -7.531 0.341 1.00 0.00 C ATOM 492 CG TRP A 83 -16.965 -7.765 -0.667 1.00 0.00 C ATOM 493 CD1 TRP A 83 -18.104 -7.053 -0.790 1.00 0.00 C ATOM 494 CD2 TRP A 83 -17.028 -8.768 -1.717 1.00 0.00 C ATOM 495 NE1 TRP A 83 -18.891 -7.571 -1.792 1.00 0.00 N ATOM 496 CE2 TRP A 83 -18.257 -8.615 -2.427 1.00 0.00 C ATOM 497 CE3 TRP A 83 -16.146 -9.775 -2.149 1.00 0.00 C ATOM 498 CZ2 TRP A 83 -18.597 -9.429 -3.515 1.00 0.00 C ATOM 499 CZ3 TRP A 83 -16.472 -10.590 -3.249 1.00 0.00 C ATOM 500 CH2 TRP A 83 -17.688 -10.416 -3.929 1.00 0.00 C ATOM 0 H TRP A 83 -16.677 -5.304 -0.103 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.203 -6.268 0.833 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -15.308 -8.453 0.455 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -16.342 -7.321 1.305 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -18.362 -6.196 -0.186 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -19.821 -7.227 -2.033 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -15.210 -9.924 -1.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -19.540 -9.300 -4.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -15.782 -11.355 -3.573 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -17.925 -11.044 -4.775 1.00 0.00 H new ATOM 511 N GLN A 84 -14.381 -6.146 -2.380 1.00 0.00 N ATOM 512 CA GLN A 84 -13.666 -6.378 -3.624 1.00 0.00 C ATOM 513 C GLN A 84 -12.360 -5.578 -3.747 1.00 0.00 C ATOM 514 O GLN A 84 -11.652 -5.712 -4.750 1.00 0.00 O ATOM 515 CB GLN A 84 -14.596 -6.136 -4.821 1.00 0.00 C ATOM 516 CG GLN A 84 -15.955 -6.864 -4.707 1.00 0.00 C ATOM 517 CD GLN A 84 -16.555 -7.231 -6.069 1.00 0.00 C ATOM 518 OE1 GLN A 84 -15.873 -7.503 -7.051 1.00 0.00 O ATOM 519 NE2 GLN A 84 -17.872 -7.225 -6.191 1.00 0.00 N ATOM 0 H GLN A 84 -15.165 -5.501 -2.476 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.357 -7.423 -3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.774 -5.065 -4.921 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.094 -6.462 -5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.826 -7.771 -4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -16.657 -6.229 -4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -18.458 -7.001 -5.386 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -18.302 -7.444 -7.090 1.00 0.00 H new ATOM 528 N PHE A 85 -12.022 -4.744 -2.763 1.00 0.00 N ATOM 529 CA PHE A 85 -10.927 -3.786 -2.847 1.00 0.00 C ATOM 530 C PHE A 85 -9.807 -4.188 -1.882 1.00 0.00 C ATOM 531 O PHE A 85 -10.082 -4.856 -0.883 1.00 0.00 O ATOM 532 CB PHE A 85 -11.459 -2.393 -2.493 1.00 0.00 C ATOM 533 CG PHE A 85 -12.454 -1.813 -3.480 1.00 0.00 C ATOM 534 CD1 PHE A 85 -13.777 -2.291 -3.528 1.00 0.00 C ATOM 535 CD2 PHE A 85 -12.066 -0.762 -4.331 1.00 0.00 C ATOM 536 CE1 PHE A 85 -14.728 -1.626 -4.317 1.00 0.00 C ATOM 537 CE2 PHE A 85 -13.008 -0.124 -5.151 1.00 0.00 C ATOM 538 CZ PHE A 85 -14.353 -0.527 -5.108 1.00 0.00 C ATOM 0 H PHE A 85 -12.513 -4.718 -1.869 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.522 -3.774 -3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.930 -2.440 -1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -10.614 -1.709 -2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -14.059 -3.165 -2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -11.034 -0.444 -4.353 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.755 -1.961 -4.316 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -12.701 0.673 -5.812 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.097 0.006 -5.681 1.00 0.00 H new ATOM 548 N PRO A 86 -8.555 -3.767 -2.132 1.00 0.00 N ATOM 549 CA PRO A 86 -7.430 -3.995 -1.240 1.00 0.00 C ATOM 550 C PRO A 86 -7.597 -3.250 0.091 1.00 0.00 C ATOM 551 O PRO A 86 -8.588 -2.572 0.362 1.00 0.00 O ATOM 552 CB PRO A 86 -6.185 -3.573 -2.022 1.00 0.00 C ATOM 553 CG PRO A 86 -6.718 -2.520 -2.980 1.00 0.00 C ATOM 554 CD PRO A 86 -8.116 -3.034 -3.303 1.00 0.00 C ATOM 0 HA PRO A 86 -7.352 -5.042 -0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.415 -3.168 -1.365 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.740 -4.413 -2.554 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.747 -1.532 -2.520 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.101 -2.437 -3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.793 -2.209 -3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.101 -3.677 -4.183 1.00 0.00 H new ATOM 562 N ASP A 87 -6.621 -3.440 0.973 1.00 0.00 N ATOM 563 CA ASP A 87 -6.803 -3.265 2.418 1.00 0.00 C ATOM 564 C ASP A 87 -5.501 -2.829 3.097 1.00 0.00 C ATOM 565 O ASP A 87 -5.361 -2.850 4.318 1.00 0.00 O ATOM 566 CB ASP A 87 -7.282 -4.622 2.927 1.00 0.00 C ATOM 567 CG ASP A 87 -7.785 -4.545 4.351 1.00 0.00 C ATOM 568 OD1 ASP A 87 -8.743 -3.792 4.598 1.00 0.00 O ATOM 569 OD2 ASP A 87 -7.262 -5.309 5.192 1.00 0.00 O ATOM 0 H ASP A 87 -5.677 -3.721 0.709 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.522 -2.477 2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.078 -4.992 2.280 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.464 -5.341 2.869 1.00 0.00 H new ATOM 574 N GLY A 88 -4.517 -2.483 2.276 1.00 0.00 N ATOM 575 CA GLY A 88 -3.103 -2.406 2.567 1.00 0.00 C ATOM 576 C GLY A 88 -2.376 -2.998 1.361 1.00 0.00 C ATOM 577 O GLY A 88 -3.007 -3.644 0.509 1.00 0.00 O ATOM 0 H GLY A 88 -4.712 -2.228 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.798 -1.373 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.863 -2.961 3.474 1.00 0.00 H new ATOM 581 N ILE A 89 -1.071 -2.760 1.273 1.00 0.00 N ATOM 582 CA ILE A 89 -0.179 -3.272 0.241 1.00 0.00 C ATOM 583 C ILE A 89 1.049 -3.849 0.953 1.00 0.00 C ATOM 584 O ILE A 89 1.305 -3.571 2.128 1.00 0.00 O ATOM 585 CB ILE A 89 0.150 -2.153 -0.785 1.00 0.00 C ATOM 586 CG1 ILE A 89 -1.096 -1.668 -1.556 1.00 0.00 C ATOM 587 CG2 ILE A 89 1.247 -2.548 -1.790 1.00 0.00 C ATOM 588 CD1 ILE A 89 -1.737 -2.699 -2.493 1.00 0.00 C ATOM 0 H ILE A 89 -0.584 -2.176 1.953 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.638 -4.068 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 89 0.529 -1.333 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.845 -1.345 -0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.820 -0.792 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.426 -1.721 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.167 -2.779 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.926 -3.424 -2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.603 -2.255 -2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.011 -3.007 -3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.053 -3.568 -1.916 1.00 0.00 H new ATOM 600 N HIS A 90 1.773 -4.683 0.216 1.00 0.00 N ATOM 601 CA HIS A 90 3.040 -5.292 0.564 1.00 0.00 C ATOM 602 C HIS A 90 4.159 -4.277 0.325 1.00 0.00 C ATOM 603 O HIS A 90 4.535 -3.525 1.223 1.00 0.00 O ATOM 604 CB HIS A 90 3.167 -6.556 -0.304 1.00 0.00 C ATOM 605 CG HIS A 90 2.129 -7.567 0.077 1.00 0.00 C ATOM 606 ND1 HIS A 90 0.831 -7.620 -0.370 1.00 0.00 N ATOM 607 CD2 HIS A 90 2.286 -8.533 1.024 1.00 0.00 C ATOM 608 CE1 HIS A 90 0.227 -8.626 0.273 1.00 0.00 C ATOM 609 NE2 HIS A 90 1.069 -9.211 1.145 1.00 0.00 N ATOM 0 H HIS A 90 1.460 -4.970 -0.712 1.00 0.00 H new ATOM 0 HA HIS A 90 3.106 -5.579 1.613 1.00 0.00 H new ATOM 0 HB2 HIS A 90 3.057 -6.293 -1.356 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.161 -6.986 -0.185 1.00 0.00 H new ATOM 0 HD1 HIS A 90 0.406 -7.005 -1.064 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.188 -8.738 1.581 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.798 -8.928 0.114 1.00 0.00 H new ATOM 617 N TYR A 91 4.652 -4.215 -0.916 1.00 0.00 N ATOM 618 CA TYR A 91 5.691 -3.309 -1.390 1.00 0.00 C ATOM 619 C TYR A 91 6.969 -3.314 -0.538 1.00 0.00 C ATOM 620 O TYR A 91 7.770 -2.383 -0.613 1.00 0.00 O ATOM 621 CB TYR A 91 5.092 -1.914 -1.650 1.00 0.00 C ATOM 622 CG TYR A 91 5.960 -0.940 -2.429 1.00 0.00 C ATOM 623 CD1 TYR A 91 6.826 -1.366 -3.455 1.00 0.00 C ATOM 624 CD2 TYR A 91 5.876 0.425 -2.127 1.00 0.00 C ATOM 625 CE1 TYR A 91 7.621 -0.455 -4.162 1.00 0.00 C ATOM 626 CE2 TYR A 91 6.710 1.348 -2.790 1.00 0.00 C ATOM 627 CZ TYR A 91 7.596 0.912 -3.800 1.00 0.00 C ATOM 628 OH TYR A 91 8.443 1.807 -4.383 1.00 0.00 O ATOM 0 H TYR A 91 4.315 -4.832 -1.654 1.00 0.00 H new ATOM 0 HA TYR A 91 6.053 -3.687 -2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.153 -2.041 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.850 -1.462 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.878 -2.416 -3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.171 0.771 -1.385 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.247 -0.793 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.671 2.394 -2.524 1.00 0.00 H new ATOM 0 HH TYR A 91 8.282 2.699 -4.011 1.00 0.00 H new ATOM 638 N ASN A 92 7.212 -4.375 0.240 1.00 0.00 N ATOM 639 CA ASN A 92 8.337 -4.496 1.166 1.00 0.00 C ATOM 640 C ASN A 92 8.315 -3.358 2.195 1.00 0.00 C ATOM 641 O ASN A 92 9.362 -3.002 2.739 1.00 0.00 O ATOM 642 CB ASN A 92 9.686 -4.615 0.424 1.00 0.00 C ATOM 643 CG ASN A 92 9.672 -5.656 -0.688 1.00 0.00 C ATOM 644 OD1 ASN A 92 9.923 -6.837 -0.473 1.00 0.00 O ATOM 645 ND2 ASN A 92 9.405 -5.244 -1.917 1.00 0.00 N ATOM 0 H ASN A 92 6.610 -5.198 0.240 1.00 0.00 H new ATOM 0 HA ASN A 92 8.225 -5.429 1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 92 9.947 -3.645 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 92 10.466 -4.870 1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.407 -5.910 -2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 92 9.197 -4.261 -2.091 1.00 0.00 H new ATOM 652 N GLY A 93 7.143 -2.756 2.439 1.00 0.00 N ATOM 653 CA GLY A 93 6.927 -1.623 3.322 1.00 0.00 C ATOM 654 C GLY A 93 7.692 -0.387 2.878 1.00 0.00 C ATOM 655 O GLY A 93 7.117 0.459 2.188 1.00 0.00 O ATOM 0 H GLY A 93 6.279 -3.071 1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.862 -1.393 3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.231 -1.891 4.334 1.00 0.00 H new ATOM 659 N CYS A 94 8.951 -0.245 3.285 1.00 0.00 N ATOM 660 CA CYS A 94 9.773 0.931 3.053 1.00 0.00 C ATOM 661 C CYS A 94 11.112 0.499 2.455 1.00 0.00 C ATOM 662 O CYS A 94 12.130 0.410 3.148 1.00 0.00 O ATOM 663 CB CYS A 94 9.909 1.740 4.350 1.00 0.00 C ATOM 664 SG CYS A 94 10.783 3.302 4.107 1.00 0.00 S ATOM 0 H CYS A 94 9.441 -0.974 3.804 1.00 0.00 H new ATOM 0 HA CYS A 94 9.303 1.597 2.329 1.00 0.00 H new ATOM 0 HB2 CYS A 94 8.917 1.942 4.753 1.00 0.00 H new ATOM 0 HB3 CYS A 94 10.439 1.143 5.092 1.00 0.00 H new ATOM 669 N SER A 95 11.086 0.193 1.159 1.00 0.00 N ATOM 670 CA SER A 95 12.261 -0.131 0.372 1.00 0.00 C ATOM 671 C SER A 95 13.115 1.134 0.195 1.00 0.00 C ATOM 672 O SER A 95 14.303 1.109 0.529 1.00 0.00 O ATOM 673 CB SER A 95 11.788 -0.750 -0.953 1.00 0.00 C ATOM 674 OG SER A 95 12.844 -1.123 -1.815 1.00 0.00 O ATOM 0 H SER A 95 10.221 0.165 0.619 1.00 0.00 H new ATOM 0 HA SER A 95 12.900 -0.863 0.866 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.180 -1.628 -0.737 1.00 0.00 H new ATOM 0 HB3 SER A 95 11.145 -0.036 -1.468 1.00 0.00 H new ATOM 0 HG SER A 95 12.475 -1.510 -2.636 1.00 0.00 H new ATOM 680 N GLU A 96 12.550 2.221 -0.340 1.00 0.00 N ATOM 681 CA GLU A 96 13.305 3.419 -0.679 1.00 0.00 C ATOM 682 C GLU A 96 13.609 4.297 0.534 1.00 0.00 C ATOM 683 O GLU A 96 13.047 4.146 1.623 1.00 0.00 O ATOM 684 CB GLU A 96 12.549 4.238 -1.747 1.00 0.00 C ATOM 685 CG GLU A 96 13.199 4.097 -3.126 1.00 0.00 C ATOM 686 CD GLU A 96 14.657 4.569 -3.118 1.00 0.00 C ATOM 687 OE1 GLU A 96 14.965 5.602 -2.467 1.00 0.00 O ATOM 688 OE2 GLU A 96 15.504 3.881 -3.724 1.00 0.00 O ATOM 0 H GLU A 96 11.554 2.289 -0.548 1.00 0.00 H new ATOM 0 HA GLU A 96 14.264 3.084 -1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.512 3.905 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.532 5.289 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.156 3.055 -3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.633 4.676 -3.856 1.00 0.00 H new ATOM 695 N ALA A 97 14.485 5.273 0.302 1.00 0.00 N ATOM 696 CA ALA A 97 14.949 6.222 1.297 1.00 0.00 C ATOM 697 C ALA A 97 15.146 7.645 0.781 1.00 0.00 C ATOM 698 O ALA A 97 15.529 8.510 1.572 1.00 0.00 O ATOM 699 CB ALA A 97 16.213 5.677 1.953 1.00 0.00 C ATOM 0 H ALA A 97 14.902 5.425 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 97 14.154 6.321 2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 97 16.568 6.385 2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.992 4.723 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 97 16.983 5.534 1.195 1.00 0.00 H new ATOM 705 N ASN A 98 14.890 7.937 -0.499 1.00 0.00 N ATOM 706 CA ASN A 98 14.783 9.323 -0.948 1.00 0.00 C ATOM 707 C ASN A 98 13.680 9.433 -1.997 1.00 0.00 C ATOM 708 O ASN A 98 13.930 9.308 -3.194 1.00 0.00 O ATOM 709 CB ASN A 98 16.152 9.908 -1.370 1.00 0.00 C ATOM 710 CG ASN A 98 16.493 11.152 -0.550 1.00 0.00 C ATOM 711 OD1 ASN A 98 16.622 12.256 -1.076 1.00 0.00 O ATOM 712 ND2 ASN A 98 16.619 11.023 0.762 1.00 0.00 N ATOM 0 H ASN A 98 14.755 7.240 -1.231 1.00 0.00 H new ATOM 0 HA ASN A 98 14.483 9.959 -0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.930 9.156 -1.236 1.00 0.00 H new ATOM 0 HB3 ASN A 98 16.132 10.161 -2.430 1.00 0.00 H new ATOM 0 HD21 ASN A 98 16.823 11.840 1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 98 16.512 10.107 1.197 1.00 0.00 H new ATOM 719 N VAL A 99 12.442 9.606 -1.533 1.00 0.00 N ATOM 720 CA VAL A 99 11.210 9.579 -2.320 1.00 0.00 C ATOM 721 C VAL A 99 10.195 10.559 -1.697 1.00 0.00 C ATOM 722 O VAL A 99 10.565 11.352 -0.831 1.00 0.00 O ATOM 723 CB VAL A 99 10.684 8.127 -2.419 1.00 0.00 C ATOM 724 CG1 VAL A 99 11.420 7.305 -3.481 1.00 0.00 C ATOM 725 CG2 VAL A 99 10.726 7.389 -1.074 1.00 0.00 C ATOM 0 H VAL A 99 12.263 9.778 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 99 11.391 9.910 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 99 9.642 8.225 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.011 6.295 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.293 7.774 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.481 7.260 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.346 6.376 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.754 7.348 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.108 7.919 -0.349 1.00 0.00 H new ATOM 735 N THR A 100 8.948 10.575 -2.179 1.00 0.00 N ATOM 736 CA THR A 100 7.870 11.470 -1.764 1.00 0.00 C ATOM 737 C THR A 100 6.528 10.735 -1.881 1.00 0.00 C ATOM 738 O THR A 100 6.462 9.633 -2.436 1.00 0.00 O ATOM 739 CB THR A 100 7.894 12.735 -2.655 1.00 0.00 C ATOM 740 OG1 THR A 100 7.635 12.393 -4.008 1.00 0.00 O ATOM 741 CG2 THR A 100 9.206 13.529 -2.606 1.00 0.00 C ATOM 0 H THR A 100 8.651 9.927 -2.909 1.00 0.00 H new ATOM 0 HA THR A 100 8.005 11.774 -0.726 1.00 0.00 H new ATOM 0 HB THR A 100 7.114 13.377 -2.245 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.652 13.203 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.131 14.397 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.393 13.860 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.028 12.895 -2.938 1.00 0.00 H new ATOM 749 N LYS A 101 5.429 11.346 -1.416 1.00 0.00 N ATOM 750 CA LYS A 101 4.086 10.838 -1.632 1.00 0.00 C ATOM 751 C LYS A 101 3.622 10.940 -3.077 1.00 0.00 C ATOM 752 O LYS A 101 2.564 10.391 -3.382 1.00 0.00 O ATOM 753 CB LYS A 101 3.099 11.532 -0.676 1.00 0.00 C ATOM 754 CG LYS A 101 2.529 10.444 0.228 1.00 0.00 C ATOM 755 CD LYS A 101 1.587 10.955 1.319 1.00 0.00 C ATOM 756 CE LYS A 101 0.201 11.136 0.708 1.00 0.00 C ATOM 757 NZ LYS A 101 -0.744 11.786 1.637 1.00 0.00 N ATOM 0 H LYS A 101 5.458 12.212 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 101 4.112 9.771 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.603 12.299 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.304 12.028 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.993 9.721 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.355 9.911 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.547 10.248 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.951 11.900 1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.283 11.734 -0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.193 10.163 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.671 11.886 1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.845 11.204 2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.383 12.726 1.898 1.00 0.00 H new ATOM 771 N GLU A 102 4.365 11.599 -3.966 1.00 0.00 N ATOM 772 CA GLU A 102 4.294 11.244 -5.365 1.00 0.00 C ATOM 773 C GLU A 102 5.096 9.955 -5.532 1.00 0.00 C ATOM 774 O GLU A 102 4.509 8.879 -5.609 1.00 0.00 O ATOM 775 CB GLU A 102 4.795 12.394 -6.263 1.00 0.00 C ATOM 776 CG GLU A 102 3.702 12.876 -7.221 1.00 0.00 C ATOM 777 CD GLU A 102 3.252 11.845 -8.264 1.00 0.00 C ATOM 778 OE1 GLU A 102 2.986 10.671 -7.910 1.00 0.00 O ATOM 779 OE2 GLU A 102 3.060 12.217 -9.441 1.00 0.00 O ATOM 0 H GLU A 102 5.005 12.361 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 102 3.265 11.076 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 102 5.127 13.225 -5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.660 12.059 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.835 13.180 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.062 13.764 -7.741 1.00 0.00 H new ATOM 786 N ALA A 103 6.427 10.064 -5.522 1.00 0.00 N ATOM 787 CA ALA A 103 7.360 9.085 -6.059 1.00 0.00 C ATOM 788 C ALA A 103 7.138 7.674 -5.527 1.00 0.00 C ATOM 789 O ALA A 103 7.027 6.741 -6.315 1.00 0.00 O ATOM 790 CB ALA A 103 8.782 9.554 -5.762 1.00 0.00 C ATOM 0 H ALA A 103 6.899 10.874 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 103 7.190 9.021 -7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.494 8.830 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.951 10.523 -6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.918 9.644 -4.684 1.00 0.00 H new ATOM 796 N PHE A 104 7.078 7.502 -4.209 1.00 0.00 N ATOM 797 CA PHE A 104 7.014 6.186 -3.593 1.00 0.00 C ATOM 798 C PHE A 104 5.602 5.600 -3.670 1.00 0.00 C ATOM 799 O PHE A 104 5.473 4.381 -3.782 1.00 0.00 O ATOM 800 CB PHE A 104 7.600 6.257 -2.169 1.00 0.00 C ATOM 801 CG PHE A 104 6.827 5.588 -1.059 1.00 0.00 C ATOM 802 CD1 PHE A 104 5.622 6.167 -0.633 1.00 0.00 C ATOM 803 CD2 PHE A 104 7.301 4.412 -0.448 1.00 0.00 C ATOM 804 CE1 PHE A 104 4.853 5.538 0.353 1.00 0.00 C ATOM 805 CE2 PHE A 104 6.549 3.803 0.572 1.00 0.00 C ATOM 806 CZ PHE A 104 5.316 4.355 0.965 1.00 0.00 C ATOM 0 H PHE A 104 7.073 8.273 -3.541 1.00 0.00 H new ATOM 0 HA PHE A 104 7.632 5.482 -4.151 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.598 5.819 -2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.720 7.308 -1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.288 7.098 -1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 104 8.239 3.979 -0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.903 5.960 0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.918 2.910 1.055 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.727 3.875 1.732 1.00 0.00 H new ATOM 816 N VAL A 105 4.542 6.416 -3.631 1.00 0.00 N ATOM 817 CA VAL A 105 3.182 5.916 -3.832 1.00 0.00 C ATOM 818 C VAL A 105 3.052 5.507 -5.311 1.00 0.00 C ATOM 819 O VAL A 105 2.574 4.415 -5.605 1.00 0.00 O ATOM 820 CB VAL A 105 2.140 6.951 -3.350 1.00 0.00 C ATOM 821 CG1 VAL A 105 0.708 6.560 -3.733 1.00 0.00 C ATOM 822 CG2 VAL A 105 2.182 7.196 -1.834 1.00 0.00 C ATOM 0 H VAL A 105 4.602 7.420 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 105 2.979 5.033 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 105 2.420 7.872 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.014 7.319 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.629 6.484 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.460 5.599 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.426 7.933 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.983 6.262 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.167 7.568 -1.553 1.00 0.00 H new ATOM 832 N THR A 106 3.561 6.322 -6.237 1.00 0.00 N ATOM 833 CA THR A 106 3.762 5.989 -7.636 1.00 0.00 C ATOM 834 C THR A 106 4.541 4.673 -7.785 1.00 0.00 C ATOM 835 O THR A 106 4.098 3.823 -8.548 1.00 0.00 O ATOM 836 CB THR A 106 4.407 7.200 -8.342 1.00 0.00 C ATOM 837 OG1 THR A 106 3.391 8.131 -8.688 1.00 0.00 O ATOM 838 CG2 THR A 106 5.175 6.826 -9.605 1.00 0.00 C ATOM 0 H THR A 106 3.855 7.273 -6.015 1.00 0.00 H new ATOM 0 HA THR A 106 2.810 5.798 -8.131 1.00 0.00 H new ATOM 0 HB THR A 106 5.125 7.627 -7.642 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.547 8.976 -8.216 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.602 7.724 -10.050 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.975 6.131 -9.352 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.497 6.355 -10.317 1.00 0.00 H new ATOM 846 N GLY A 107 5.642 4.453 -7.063 1.00 0.00 N ATOM 847 CA GLY A 107 6.410 3.213 -7.123 1.00 0.00 C ATOM 848 C GLY A 107 5.568 2.015 -6.698 1.00 0.00 C ATOM 849 O GLY A 107 5.567 0.980 -7.364 1.00 0.00 O ATOM 0 H GLY A 107 6.027 5.140 -6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.777 3.060 -8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.284 3.293 -6.476 1.00 0.00 H new ATOM 853 N CYS A 108 4.789 2.186 -5.631 1.00 0.00 N ATOM 854 CA CYS A 108 3.816 1.201 -5.171 1.00 0.00 C ATOM 855 C CYS A 108 2.825 0.875 -6.290 1.00 0.00 C ATOM 856 O CYS A 108 2.423 -0.275 -6.451 1.00 0.00 O ATOM 857 CB CYS A 108 3.099 1.730 -3.914 1.00 0.00 C ATOM 858 SG CYS A 108 1.300 1.527 -3.817 1.00 0.00 S ATOM 0 H CYS A 108 4.818 3.027 -5.054 1.00 0.00 H new ATOM 0 HA CYS A 108 4.328 0.276 -4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.539 1.238 -3.046 1.00 0.00 H new ATOM 0 HB3 CYS A 108 3.321 2.793 -3.825 1.00 0.00 H new ATOM 863 N ILE A 109 2.401 1.872 -7.062 1.00 0.00 N ATOM 864 CA ILE A 109 1.404 1.722 -8.112 1.00 0.00 C ATOM 865 C ILE A 109 2.012 1.114 -9.368 1.00 0.00 C ATOM 866 O ILE A 109 1.388 0.259 -9.988 1.00 0.00 O ATOM 867 CB ILE A 109 0.718 3.082 -8.313 1.00 0.00 C ATOM 868 CG1 ILE A 109 -0.380 3.131 -7.232 1.00 0.00 C ATOM 869 CG2 ILE A 109 0.169 3.365 -9.717 1.00 0.00 C ATOM 870 CD1 ILE A 109 -0.653 4.559 -6.801 1.00 0.00 C ATOM 0 H ILE A 109 2.750 2.826 -6.971 1.00 0.00 H new ATOM 0 HA ILE A 109 0.631 1.008 -7.828 1.00 0.00 H new ATOM 0 HB ILE A 109 1.458 3.876 -8.214 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.295 2.682 -7.617 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.073 2.539 -6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.291 4.353 -9.735 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.984 3.331 -10.440 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -0.576 2.613 -9.975 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.431 4.566 -6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.258 4.997 -6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.983 5.142 -7.661 1.00 0.00 H new ATOM 882 N ASN A 110 3.246 1.474 -9.702 1.00 0.00 N ATOM 883 CA ASN A 110 4.030 0.822 -10.754 1.00 0.00 C ATOM 884 C ASN A 110 4.196 -0.659 -10.465 1.00 0.00 C ATOM 885 O ASN A 110 4.236 -1.476 -11.388 1.00 0.00 O ATOM 886 CB ASN A 110 5.430 1.427 -10.886 1.00 0.00 C ATOM 887 CG ASN A 110 5.420 2.838 -11.430 1.00 0.00 C ATOM 888 OD1 ASN A 110 4.561 3.217 -12.222 1.00 0.00 O ATOM 889 ND2 ASN A 110 6.391 3.628 -11.013 1.00 0.00 N ATOM 0 H ASN A 110 3.741 2.239 -9.244 1.00 0.00 H new ATOM 0 HA ASN A 110 3.479 0.975 -11.682 1.00 0.00 H new ATOM 0 HB2 ASN A 110 5.913 1.425 -9.909 1.00 0.00 H new ATOM 0 HB3 ASN A 110 6.031 0.796 -11.541 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.446 4.589 -11.349 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.087 3.277 -10.354 1.00 0.00 H new ATOM 896 N ALA A 111 4.283 -1.010 -9.187 1.00 0.00 N ATOM 897 CA ALA A 111 4.334 -2.380 -8.761 1.00 0.00 C ATOM 898 C ALA A 111 2.935 -2.982 -8.848 1.00 0.00 C ATOM 899 O ALA A 111 2.738 -3.984 -9.524 1.00 0.00 O ATOM 900 CB ALA A 111 4.922 -2.415 -7.354 1.00 0.00 C ATOM 0 H ALA A 111 4.320 -0.337 -8.421 1.00 0.00 H new ATOM 0 HA ALA A 111 4.974 -2.986 -9.403 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.972 -3.447 -7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.925 -1.988 -7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.290 -1.835 -6.681 1.00 0.00 H new ATOM 906 N THR A 112 1.937 -2.375 -8.207 1.00 0.00 N ATOM 907 CA THR A 112 0.603 -2.955 -8.090 1.00 0.00 C ATOM 908 C THR A 112 -0.071 -3.140 -9.460 1.00 0.00 C ATOM 909 O THR A 112 -0.750 -4.147 -9.672 1.00 0.00 O ATOM 910 CB THR A 112 -0.242 -2.146 -7.089 1.00 0.00 C ATOM 911 OG1 THR A 112 -1.161 -2.988 -6.444 1.00 0.00 O ATOM 912 CG2 THR A 112 -1.070 -1.043 -7.742 1.00 0.00 C ATOM 0 H THR A 112 2.032 -1.466 -7.754 1.00 0.00 H new ATOM 0 HA THR A 112 0.695 -3.964 -7.687 1.00 0.00 H new ATOM 0 HB THR A 112 0.478 -1.699 -6.403 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.719 -3.445 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.640 -0.515 -6.978 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.407 -0.342 -8.250 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.756 -1.483 -8.466 1.00 0.00 H new ATOM 920 N GLN A 113 0.164 -2.227 -10.413 1.00 0.00 N ATOM 921 CA GLN A 113 -0.387 -2.321 -11.766 1.00 0.00 C ATOM 922 C GLN A 113 0.121 -3.577 -12.477 1.00 0.00 C ATOM 923 O GLN A 113 -0.547 -4.061 -13.390 1.00 0.00 O ATOM 924 CB GLN A 113 -0.091 -1.048 -12.589 1.00 0.00 C ATOM 925 CG GLN A 113 1.386 -0.896 -12.988 1.00 0.00 C ATOM 926 CD GLN A 113 1.791 0.464 -13.569 1.00 0.00 C ATOM 927 OE1 GLN A 113 2.658 0.536 -14.435 1.00 0.00 O ATOM 928 NE2 GLN A 113 1.269 1.569 -13.064 1.00 0.00 N ATOM 0 H GLN A 113 0.744 -1.401 -10.263 1.00 0.00 H new ATOM 0 HA GLN A 113 -1.470 -2.402 -11.678 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.702 -1.060 -13.492 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -0.393 -0.175 -12.011 1.00 0.00 H new ATOM 0 HG2 GLN A 113 2.001 -1.090 -12.109 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.625 -1.667 -13.721 1.00 0.00 H new ATOM 0 HE21 GLN A 113 0.549 1.510 -12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 113 1.587 2.480 -13.394 1.00 0.00 H new ATOM 937 N ALA A 114 1.278 -4.106 -12.059 1.00 0.00 N ATOM 938 CA ALA A 114 1.829 -5.371 -12.513 1.00 0.00 C ATOM 939 C ALA A 114 1.606 -6.513 -11.516 1.00 0.00 C ATOM 940 O ALA A 114 1.758 -7.675 -11.898 1.00 0.00 O ATOM 941 CB ALA A 114 3.319 -5.188 -12.775 1.00 0.00 C ATOM 0 H ALA A 114 1.870 -3.641 -11.371 1.00 0.00 H new ATOM 0 HA ALA A 114 1.306 -5.655 -13.426 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.747 -6.130 -13.117 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.463 -4.425 -13.540 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.815 -4.877 -11.855 1.00 0.00 H new ATOM 947 N ALA A 115 1.228 -6.229 -10.265 1.00 0.00 N ATOM 948 CA ALA A 115 0.889 -7.264 -9.304 1.00 0.00 C ATOM 949 C ALA A 115 -0.422 -7.898 -9.748 1.00 0.00 C ATOM 950 O ALA A 115 -0.471 -9.096 -10.009 1.00 0.00 O ATOM 951 CB ALA A 115 0.785 -6.702 -7.880 1.00 0.00 C ATOM 0 H ALA A 115 1.151 -5.280 -9.900 1.00 0.00 H new ATOM 0 HA ALA A 115 1.678 -8.015 -9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 115 0.530 -7.506 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 115 1.741 -6.265 -7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.010 -5.936 -7.847 1.00 0.00 H new ATOM 957 N ASN A 116 -1.468 -7.083 -9.885 1.00 0.00 N ATOM 958 CA ASN A 116 -2.840 -7.542 -10.093 1.00 0.00 C ATOM 959 C ASN A 116 -3.258 -7.088 -11.492 1.00 0.00 C ATOM 960 O ASN A 116 -4.218 -6.339 -11.667 1.00 0.00 O ATOM 961 CB ASN A 116 -3.795 -7.075 -8.961 1.00 0.00 C ATOM 962 CG ASN A 116 -3.100 -6.833 -7.624 1.00 0.00 C ATOM 963 OD1 ASN A 116 -2.811 -7.739 -6.839 1.00 0.00 O ATOM 964 ND2 ASN A 116 -2.744 -5.583 -7.387 1.00 0.00 N ATOM 0 H ASN A 116 -1.383 -6.067 -9.854 1.00 0.00 H new ATOM 0 HA ASN A 116 -2.900 -8.629 -10.041 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -4.290 -6.155 -9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -4.574 -7.825 -8.824 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -2.220 -5.353 -6.542 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -2.993 -4.848 -8.049 1.00 0.00 H new ATOM 971 N GLN A 117 -2.484 -7.474 -12.512 1.00 0.00 N ATOM 972 CA GLN A 117 -2.668 -6.986 -13.872 1.00 0.00 C ATOM 973 C GLN A 117 -4.079 -7.224 -14.370 1.00 0.00 C ATOM 974 O GLN A 117 -4.674 -6.327 -14.966 1.00 0.00 O ATOM 975 CB GLN A 117 -1.704 -7.679 -14.848 1.00 0.00 C ATOM 976 CG GLN A 117 -0.268 -7.184 -14.798 1.00 0.00 C ATOM 977 CD GLN A 117 0.464 -7.488 -16.098 1.00 0.00 C ATOM 978 OE1 GLN A 117 0.759 -8.633 -16.439 1.00 0.00 O ATOM 979 NE2 GLN A 117 0.734 -6.467 -16.888 1.00 0.00 N ATOM 0 H GLN A 117 -1.713 -8.134 -12.412 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.466 -5.915 -13.838 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.710 -8.749 -14.642 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.082 -7.548 -15.862 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.257 -6.110 -14.614 1.00 0.00 H new ATOM 0 HG3 GLN A 117 0.253 -7.656 -13.965 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.487 -5.520 -16.600 1.00 0.00 H new ATOM 0 HE22 GLN A 117 1.190 -6.624 -17.787 1.00 0.00 H new ATOM 988 N GLY A 118 -4.611 -8.420 -14.136 1.00 0.00 N ATOM 989 CA GLY A 118 -5.895 -8.789 -14.691 1.00 0.00 C ATOM 990 C GLY A 118 -7.048 -8.025 -14.049 1.00 0.00 C ATOM 991 O GLY A 118 -8.163 -8.114 -14.553 1.00 0.00 O ATOM 0 H GLY A 118 -4.170 -9.143 -13.567 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.891 -8.601 -15.765 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.052 -9.859 -14.556 1.00 0.00 H new ATOM 995 N GLU A 119 -6.808 -7.261 -12.976 1.00 0.00 N ATOM 996 CA GLU A 119 -7.837 -6.547 -12.262 1.00 0.00 C ATOM 997 C GLU A 119 -7.934 -5.149 -12.861 1.00 0.00 C ATOM 998 O GLU A 119 -8.998 -4.748 -13.333 1.00 0.00 O ATOM 999 CB GLU A 119 -7.476 -6.643 -10.777 1.00 0.00 C ATOM 1000 CG GLU A 119 -8.374 -5.789 -9.887 1.00 0.00 C ATOM 1001 CD GLU A 119 -8.472 -6.290 -8.431 1.00 0.00 C ATOM 1002 OE1 GLU A 119 -8.109 -7.461 -8.161 1.00 0.00 O ATOM 1003 OE2 GLU A 119 -8.974 -5.551 -7.549 1.00 0.00 O ATOM 0 H GLU A 119 -5.875 -7.129 -12.585 1.00 0.00 H new ATOM 0 HA GLU A 119 -8.843 -6.955 -12.355 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -7.543 -7.683 -10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -6.440 -6.334 -10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.998 -4.766 -9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -9.374 -5.760 -10.319 1.00 0.00 H new ATOM 1010 N PHE A 120 -6.805 -4.443 -12.945 1.00 0.00 N ATOM 1011 CA PHE A 120 -6.768 -3.121 -13.557 1.00 0.00 C ATOM 1012 C PHE A 120 -6.911 -3.129 -15.081 1.00 0.00 C ATOM 1013 O PHE A 120 -7.240 -2.092 -15.660 1.00 0.00 O ATOM 1014 CB PHE A 120 -5.460 -2.443 -13.204 1.00 0.00 C ATOM 1015 CG PHE A 120 -5.230 -2.210 -11.737 1.00 0.00 C ATOM 1016 CD1 PHE A 120 -5.890 -1.150 -11.094 1.00 0.00 C ATOM 1017 CD2 PHE A 120 -4.297 -2.993 -11.040 1.00 0.00 C ATOM 1018 CE1 PHE A 120 -5.511 -0.787 -9.795 1.00 0.00 C ATOM 1019 CE2 PHE A 120 -3.930 -2.635 -9.735 1.00 0.00 C ATOM 1020 CZ PHE A 120 -4.503 -1.501 -9.134 1.00 0.00 C ATOM 0 H PHE A 120 -5.904 -4.769 -12.595 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.629 -2.583 -13.161 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.640 -3.048 -13.591 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -5.418 -1.483 -13.718 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.684 -0.618 -11.597 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.864 -3.866 -11.506 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -5.996 0.043 -9.303 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.209 -3.229 -9.193 1.00 0.00 H new ATOM 0 HZ PHE A 120 -4.165 -1.179 -8.160 1.00 0.00 H new ATOM 1030 N GLN A 121 -6.656 -4.253 -15.762 1.00 0.00 N ATOM 1031 CA GLN A 121 -6.717 -4.286 -17.221 1.00 0.00 C ATOM 1032 C GLN A 121 -8.126 -4.067 -17.778 1.00 0.00 C ATOM 1033 O GLN A 121 -8.251 -3.776 -18.974 1.00 0.00 O ATOM 1034 CB GLN A 121 -6.205 -5.625 -17.777 1.00 0.00 C ATOM 1035 CG GLN A 121 -4.899 -5.492 -18.570 1.00 0.00 C ATOM 1036 CD GLN A 121 -4.823 -6.500 -19.714 1.00 0.00 C ATOM 1037 OE1 GLN A 121 -5.372 -7.600 -19.640 1.00 0.00 O ATOM 1038 NE2 GLN A 121 -4.194 -6.133 -20.815 1.00 0.00 N ATOM 0 H GLN A 121 -6.408 -5.142 -15.327 1.00 0.00 H new ATOM 0 HA GLN A 121 -6.079 -3.462 -17.541 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -6.051 -6.319 -16.951 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -6.970 -6.060 -18.420 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.819 -4.481 -18.971 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -4.051 -5.638 -17.901 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -3.743 -5.219 -20.864 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -4.159 -6.763 -21.616 1.00 0.00 H new ATOM 1047 N LYS A 122 -9.165 -4.263 -16.970 1.00 0.00 N ATOM 1048 CA LYS A 122 -10.562 -4.183 -17.373 1.00 0.00 C ATOM 1049 C LYS A 122 -11.198 -3.001 -16.648 1.00 0.00 C ATOM 1050 O LYS A 122 -10.657 -2.537 -15.645 1.00 0.00 O ATOM 1051 CB LYS A 122 -11.270 -5.531 -17.109 1.00 0.00 C ATOM 1052 CG LYS A 122 -10.907 -6.238 -15.799 1.00 0.00 C ATOM 1053 CD LYS A 122 -11.829 -7.442 -15.575 1.00 0.00 C ATOM 1054 CE LYS A 122 -11.292 -8.326 -14.449 1.00 0.00 C ATOM 1055 NZ LYS A 122 -12.303 -9.305 -14.004 1.00 0.00 N ATOM 0 H LYS A 122 -9.051 -4.490 -15.982 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.660 -4.006 -18.444 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.347 -5.361 -17.120 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -11.045 -6.204 -17.936 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -9.868 -6.567 -15.830 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -10.996 -5.542 -14.965 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -12.833 -7.097 -15.327 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -11.909 -8.022 -16.494 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -10.400 -8.851 -14.791 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -10.992 -7.703 -13.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -11.828 -10.120 -13.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -12.936 -8.859 -13.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -12.858 -9.627 -14.822 1.00 0.00 H new ATOM 1069 N PRO A 123 -12.342 -2.490 -17.128 1.00 0.00 N ATOM 1070 CA PRO A 123 -13.055 -1.447 -16.406 1.00 0.00 C ATOM 1071 C PRO A 123 -13.657 -2.003 -15.108 1.00 0.00 C ATOM 1072 O PRO A 123 -13.760 -1.267 -14.127 1.00 0.00 O ATOM 1073 CB PRO A 123 -14.107 -0.927 -17.389 1.00 0.00 C ATOM 1074 CG PRO A 123 -14.348 -2.096 -18.345 1.00 0.00 C ATOM 1075 CD PRO A 123 -13.027 -2.857 -18.360 1.00 0.00 C ATOM 0 HA PRO A 123 -12.406 -0.633 -16.084 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.024 -0.640 -16.874 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -13.751 -0.045 -17.922 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -15.166 -2.728 -18.000 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -14.615 -1.745 -19.342 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -13.196 -3.933 -18.407 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -12.432 -2.589 -19.233 1.00 0.00 H new ATOM 1083 N ASP A 124 -14.029 -3.293 -15.139 1.00 0.00 N ATOM 1084 CA ASP A 124 -14.654 -4.197 -14.159 1.00 0.00 C ATOM 1085 C ASP A 124 -16.028 -3.736 -13.679 1.00 0.00 C ATOM 1086 O ASP A 124 -16.980 -4.508 -13.590 1.00 0.00 O ATOM 1087 CB ASP A 124 -13.712 -4.551 -12.996 1.00 0.00 C ATOM 1088 CG ASP A 124 -13.941 -5.990 -12.516 1.00 0.00 C ATOM 1089 OD1 ASP A 124 -15.107 -6.391 -12.267 1.00 0.00 O ATOM 1090 OD2 ASP A 124 -12.982 -6.785 -12.515 1.00 0.00 O ATOM 0 H ASP A 124 -13.869 -3.811 -16.003 1.00 0.00 H new ATOM 0 HA ASP A 124 -14.839 -5.122 -14.705 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -12.676 -4.431 -13.314 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -13.874 -3.859 -12.170 1.00 0.00 H new ATOM 1095 N ASN A 125 -16.148 -2.445 -13.407 1.00 0.00 N ATOM 1096 CA ASN A 125 -17.325 -1.698 -12.996 1.00 0.00 C ATOM 1097 C ASN A 125 -17.113 -0.281 -13.557 1.00 0.00 C ATOM 1098 O ASN A 125 -16.615 -0.154 -14.680 1.00 0.00 O ATOM 1099 CB ASN A 125 -17.469 -1.825 -11.461 1.00 0.00 C ATOM 1100 CG ASN A 125 -18.620 -2.713 -11.010 1.00 0.00 C ATOM 1101 OD1 ASN A 125 -19.235 -2.463 -9.975 1.00 0.00 O ATOM 1102 ND2 ASN A 125 -18.919 -3.775 -11.720 1.00 0.00 N ATOM 0 H ASN A 125 -15.336 -1.831 -13.477 1.00 0.00 H new ATOM 0 HA ASN A 125 -18.278 -2.060 -13.381 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -16.539 -2.220 -11.052 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -17.606 -0.830 -11.037 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -19.666 -4.399 -11.414 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -18.405 -3.976 -12.578 1.00 0.00 H new ATOM 1109 N LYS A 126 -17.500 0.807 -12.879 1.00 0.00 N ATOM 1110 CA LYS A 126 -16.991 2.142 -13.209 1.00 0.00 C ATOM 1111 C LYS A 126 -16.270 2.754 -12.030 1.00 0.00 C ATOM 1112 O LYS A 126 -15.058 2.923 -12.078 1.00 0.00 O ATOM 1113 CB LYS A 126 -18.100 3.055 -13.752 1.00 0.00 C ATOM 1114 CG LYS A 126 -17.727 4.549 -13.775 1.00 0.00 C ATOM 1115 CD LYS A 126 -16.382 4.911 -14.436 1.00 0.00 C ATOM 1116 CE LYS A 126 -16.560 6.141 -15.324 1.00 0.00 C ATOM 1117 NZ LYS A 126 -15.457 6.304 -16.293 1.00 0.00 N ATOM 0 H LYS A 126 -18.161 0.788 -12.102 1.00 0.00 H new ATOM 0 HA LYS A 126 -16.262 2.032 -14.011 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -18.354 2.739 -14.764 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -18.995 2.924 -13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -18.519 5.091 -14.293 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -17.711 4.913 -12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -15.631 5.108 -13.671 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -16.020 4.071 -15.029 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -17.504 6.062 -15.863 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -16.624 7.031 -14.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -15.625 7.152 -16.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -14.558 6.407 -15.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -15.411 5.468 -16.910 1.00 0.00 H new ATOM 1131 N LEU A 127 -17.015 3.133 -10.996 1.00 0.00 N ATOM 1132 CA LEU A 127 -16.487 4.032 -9.971 1.00 0.00 C ATOM 1133 C LEU A 127 -15.381 3.312 -9.216 1.00 0.00 C ATOM 1134 O LEU A 127 -14.424 3.952 -8.815 1.00 0.00 O ATOM 1135 CB LEU A 127 -17.580 4.495 -9.000 1.00 0.00 C ATOM 1136 CG LEU A 127 -17.927 5.987 -8.917 1.00 0.00 C ATOM 1137 CD1 LEU A 127 -16.746 6.894 -8.579 1.00 0.00 C ATOM 1138 CD2 LEU A 127 -18.604 6.486 -10.187 1.00 0.00 C ATOM 0 H LEU A 127 -17.979 2.835 -10.845 1.00 0.00 H new ATOM 0 HA LEU A 127 -16.094 4.925 -10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -18.494 3.960 -9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -17.290 4.170 -8.001 1.00 0.00 H new ATOM 0 HG LEU A 127 -18.623 6.051 -8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -17.082 7.930 -8.541 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -16.335 6.610 -7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.977 6.790 -9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.832 7.547 -10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -17.937 6.338 -11.037 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -19.528 5.930 -10.349 1.00 0.00 H new ATOM 1150 N HIS A 128 -15.484 1.984 -9.103 1.00 0.00 N ATOM 1151 CA HIS A 128 -14.454 1.087 -8.610 1.00 0.00 C ATOM 1152 C HIS A 128 -13.072 1.429 -9.177 1.00 0.00 C ATOM 1153 O HIS A 128 -12.118 1.353 -8.424 1.00 0.00 O ATOM 1154 CB HIS A 128 -14.873 -0.374 -8.884 1.00 0.00 C ATOM 1155 CG HIS A 128 -13.798 -1.247 -9.477 1.00 0.00 C ATOM 1156 ND1 HIS A 128 -12.931 -2.080 -8.805 1.00 0.00 N ATOM 1157 CD2 HIS A 128 -13.453 -1.264 -10.799 1.00 0.00 C ATOM 1158 CE1 HIS A 128 -12.073 -2.582 -9.707 1.00 0.00 C ATOM 1159 NE2 HIS A 128 -12.346 -2.105 -10.936 1.00 0.00 N ATOM 0 H HIS A 128 -16.335 1.488 -9.369 1.00 0.00 H new ATOM 0 HA HIS A 128 -14.358 1.215 -7.532 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -15.207 -0.821 -7.948 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -15.729 -0.370 -9.559 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -13.947 -0.725 -11.594 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -11.275 -3.273 -9.479 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -11.843 -2.316 -11.798 1.00 0.00 H new ATOM 1167 N GLN A 129 -12.950 1.824 -10.448 1.00 0.00 N ATOM 1168 CA GLN A 129 -11.680 2.180 -11.073 1.00 0.00 C ATOM 1169 C GLN A 129 -11.085 3.391 -10.354 1.00 0.00 C ATOM 1170 O GLN A 129 -9.983 3.341 -9.809 1.00 0.00 O ATOM 1171 CB GLN A 129 -11.961 2.459 -12.564 1.00 0.00 C ATOM 1172 CG GLN A 129 -10.721 2.571 -13.444 1.00 0.00 C ATOM 1173 CD GLN A 129 -9.919 1.281 -13.583 1.00 0.00 C ATOM 1174 OE1 GLN A 129 -8.692 1.313 -13.599 1.00 0.00 O ATOM 1175 NE2 GLN A 129 -10.583 0.149 -13.740 1.00 0.00 N ATOM 0 H GLN A 129 -13.747 1.906 -11.079 1.00 0.00 H new ATOM 0 HA GLN A 129 -10.948 1.376 -10.998 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -12.594 1.662 -12.954 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -12.530 3.386 -12.644 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -11.026 2.902 -14.437 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -10.071 3.345 -13.035 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -11.603 0.149 -13.723 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.076 -0.725 -13.878 1.00 0.00 H new ATOM 1184 N GLN A 130 -11.846 4.484 -10.350 1.00 0.00 N ATOM 1185 CA GLN A 130 -11.509 5.723 -9.670 1.00 0.00 C ATOM 1186 C GLN A 130 -11.214 5.500 -8.182 1.00 0.00 C ATOM 1187 O GLN A 130 -10.167 5.929 -7.696 1.00 0.00 O ATOM 1188 CB GLN A 130 -12.659 6.733 -9.847 1.00 0.00 C ATOM 1189 CG GLN A 130 -12.533 7.598 -11.111 1.00 0.00 C ATOM 1190 CD GLN A 130 -12.843 9.048 -10.770 1.00 0.00 C ATOM 1191 OE1 GLN A 130 -12.038 9.736 -10.150 1.00 0.00 O ATOM 1192 NE2 GLN A 130 -14.017 9.540 -11.115 1.00 0.00 N ATOM 0 H GLN A 130 -12.741 4.528 -10.837 1.00 0.00 H new ATOM 0 HA GLN A 130 -10.599 6.120 -10.119 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -13.604 6.191 -9.881 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.696 7.384 -8.974 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -11.526 7.517 -11.520 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -13.219 7.240 -11.879 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -14.681 8.962 -11.630 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -14.261 10.499 -10.867 1.00 0.00 H new ATOM 1201 N VAL A 131 -12.126 4.823 -7.477 1.00 0.00 N ATOM 1202 CA VAL A 131 -11.983 4.457 -6.076 1.00 0.00 C ATOM 1203 C VAL A 131 -10.665 3.711 -5.923 1.00 0.00 C ATOM 1204 O VAL A 131 -9.806 4.208 -5.212 1.00 0.00 O ATOM 1205 CB VAL A 131 -13.208 3.661 -5.575 1.00 0.00 C ATOM 1206 CG1 VAL A 131 -13.038 3.132 -4.142 1.00 0.00 C ATOM 1207 CG2 VAL A 131 -14.488 4.509 -5.584 1.00 0.00 C ATOM 0 H VAL A 131 -13.007 4.508 -7.883 1.00 0.00 H new ATOM 0 HA VAL A 131 -11.953 5.344 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 131 -13.289 2.825 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -13.932 2.582 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -12.174 2.469 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -12.887 3.969 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -15.324 3.909 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -14.356 5.374 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -14.694 4.846 -6.600 1.00 0.00 H new ATOM 1217 N LEU A 132 -10.473 2.579 -6.604 1.00 0.00 N ATOM 1218 CA LEU A 132 -9.339 1.688 -6.419 1.00 0.00 C ATOM 1219 C LEU A 132 -8.024 2.440 -6.526 1.00 0.00 C ATOM 1220 O LEU A 132 -7.155 2.213 -5.691 1.00 0.00 O ATOM 1221 CB LEU A 132 -9.390 0.497 -7.396 1.00 0.00 C ATOM 1222 CG LEU A 132 -8.248 -0.509 -7.249 1.00 0.00 C ATOM 1223 CD1 LEU A 132 -8.178 -1.035 -5.818 1.00 0.00 C ATOM 1224 CD2 LEU A 132 -8.494 -1.644 -8.252 1.00 0.00 C ATOM 0 H LEU A 132 -11.124 2.253 -7.318 1.00 0.00 H new ATOM 0 HA LEU A 132 -9.403 1.281 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -10.336 -0.027 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -9.386 0.882 -8.416 1.00 0.00 H new ATOM 0 HG LEU A 132 -7.289 -0.034 -7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.359 -1.750 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -8.008 -0.204 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -9.117 -1.527 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -7.694 -2.380 -8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -9.450 -2.121 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -8.513 -1.238 -9.263 1.00 0.00 H new ATOM 1236 N TRP A 133 -7.867 3.333 -7.505 1.00 0.00 N ATOM 1237 CA TRP A 133 -6.635 4.095 -7.628 1.00 0.00 C ATOM 1238 C TRP A 133 -6.427 5.065 -6.466 1.00 0.00 C ATOM 1239 O TRP A 133 -5.346 5.059 -5.877 1.00 0.00 O ATOM 1240 CB TRP A 133 -6.558 4.789 -8.984 1.00 0.00 C ATOM 1241 CG TRP A 133 -6.254 3.861 -10.119 1.00 0.00 C ATOM 1242 CD1 TRP A 133 -7.021 3.697 -11.218 1.00 0.00 C ATOM 1243 CD2 TRP A 133 -5.126 2.941 -10.276 1.00 0.00 C ATOM 1244 NE1 TRP A 133 -6.435 2.772 -12.056 1.00 0.00 N ATOM 1245 CE2 TRP A 133 -5.237 2.318 -11.554 1.00 0.00 C ATOM 1246 CE3 TRP A 133 -4.031 2.547 -9.468 1.00 0.00 C ATOM 1247 CZ2 TRP A 133 -4.282 1.411 -12.034 1.00 0.00 C ATOM 1248 CZ3 TRP A 133 -3.086 1.611 -9.929 1.00 0.00 C ATOM 1249 CH2 TRP A 133 -3.203 1.055 -11.213 1.00 0.00 C ATOM 0 H TRP A 133 -8.571 3.541 -8.213 1.00 0.00 H new ATOM 0 HA TRP A 133 -5.808 3.387 -7.573 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -7.506 5.290 -9.180 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -5.791 5.562 -8.943 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -7.951 4.211 -11.411 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -6.840 2.462 -12.940 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -3.919 2.972 -8.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -4.376 0.991 -13.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -2.265 1.319 -9.291 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -2.462 0.354 -11.568 1.00 0.00 H new ATOM 1260 N ARG A 134 -7.418 5.887 -6.101 1.00 0.00 N ATOM 1261 CA ARG A 134 -7.304 6.756 -4.919 1.00 0.00 C ATOM 1262 C ARG A 134 -7.057 5.918 -3.659 1.00 0.00 C ATOM 1263 O ARG A 134 -6.328 6.335 -2.765 1.00 0.00 O ATOM 1264 CB ARG A 134 -8.584 7.607 -4.795 1.00 0.00 C ATOM 1265 CG ARG A 134 -8.711 8.415 -3.485 1.00 0.00 C ATOM 1266 CD ARG A 134 -7.594 9.452 -3.326 1.00 0.00 C ATOM 1267 NE ARG A 134 -8.055 10.643 -2.593 1.00 0.00 N ATOM 1268 CZ ARG A 134 -7.284 11.618 -2.094 1.00 0.00 C ATOM 1269 NH1 ARG A 134 -5.959 11.553 -2.181 1.00 0.00 N ATOM 1270 NH2 ARG A 134 -7.843 12.682 -1.530 1.00 0.00 N ATOM 0 H ARG A 134 -8.303 5.970 -6.602 1.00 0.00 H new ATOM 0 HA ARG A 134 -6.451 7.425 -5.032 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.624 8.300 -5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -9.449 6.949 -4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -9.677 8.920 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.691 7.731 -2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -6.753 9.003 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.230 9.749 -4.310 1.00 0.00 H new ATOM 0 HE ARG A 134 -9.061 10.735 -2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -5.516 10.753 -2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -5.385 12.303 -1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -8.859 12.757 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -7.257 13.425 -1.150 1.00 0.00 H new ATOM 1284 N LEU A 135 -7.666 4.741 -3.591 1.00 0.00 N ATOM 1285 CA LEU A 135 -7.646 3.833 -2.465 1.00 0.00 C ATOM 1286 C LEU A 135 -6.218 3.350 -2.295 1.00 0.00 C ATOM 1287 O LEU A 135 -5.624 3.649 -1.269 1.00 0.00 O ATOM 1288 CB LEU A 135 -8.689 2.732 -2.715 1.00 0.00 C ATOM 1289 CG LEU A 135 -9.085 1.847 -1.537 1.00 0.00 C ATOM 1290 CD1 LEU A 135 -10.539 1.399 -1.716 1.00 0.00 C ATOM 1291 CD2 LEU A 135 -8.223 0.609 -1.465 1.00 0.00 C ATOM 0 H LEU A 135 -8.218 4.379 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 135 -7.930 4.297 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -9.593 3.207 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -8.311 2.086 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 135 -8.956 2.426 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -10.830 0.766 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -11.188 2.274 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -10.635 0.838 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.531 0.000 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -8.336 0.033 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -7.179 0.899 -1.344 1.00 0.00 H new ATOM 1303 N VAL A 136 -5.628 2.684 -3.295 1.00 0.00 N ATOM 1304 CA VAL A 136 -4.244 2.208 -3.232 1.00 0.00 C ATOM 1305 C VAL A 136 -3.231 3.346 -3.096 1.00 0.00 C ATOM 1306 O VAL A 136 -2.205 3.157 -2.439 1.00 0.00 O ATOM 1307 CB VAL A 136 -3.964 1.201 -4.360 1.00 0.00 C ATOM 1308 CG1 VAL A 136 -3.997 1.761 -5.763 1.00 0.00 C ATOM 1309 CG2 VAL A 136 -2.629 0.478 -4.193 1.00 0.00 C ATOM 0 H VAL A 136 -6.099 2.460 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.109 1.650 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 136 -4.801 0.511 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -3.786 0.965 -6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -4.983 2.178 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.245 2.544 -5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.487 -0.219 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.818 1.207 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.627 -0.070 -3.251 1.00 0.00 H new ATOM 1319 N GLN A 137 -3.539 4.537 -3.615 1.00 0.00 N ATOM 1320 CA GLN A 137 -2.764 5.728 -3.297 1.00 0.00 C ATOM 1321 C GLN A 137 -2.722 5.924 -1.777 1.00 0.00 C ATOM 1322 O GLN A 137 -1.629 6.082 -1.228 1.00 0.00 O ATOM 1323 CB GLN A 137 -3.270 6.965 -4.065 1.00 0.00 C ATOM 1324 CG GLN A 137 -2.845 6.905 -5.541 1.00 0.00 C ATOM 1325 CD GLN A 137 -3.666 7.772 -6.497 1.00 0.00 C ATOM 1326 OE1 GLN A 137 -4.425 8.669 -6.123 1.00 0.00 O ATOM 1327 NE2 GLN A 137 -3.530 7.519 -7.786 1.00 0.00 N ATOM 0 H GLN A 137 -4.317 4.697 -4.254 1.00 0.00 H new ATOM 0 HA GLN A 137 -1.737 5.589 -3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.356 7.021 -3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -2.875 7.871 -3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -1.800 7.205 -5.613 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.903 5.869 -5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -2.902 6.777 -8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -4.052 8.065 -8.471 1.00 0.00 H new ATOM 1336 N GLU A 138 -3.860 5.880 -1.078 1.00 0.00 N ATOM 1337 CA GLU A 138 -3.884 5.964 0.381 1.00 0.00 C ATOM 1338 C GLU A 138 -3.215 4.752 1.037 1.00 0.00 C ATOM 1339 O GLU A 138 -2.417 4.944 1.950 1.00 0.00 O ATOM 1340 CB GLU A 138 -5.305 6.184 0.940 1.00 0.00 C ATOM 1341 CG GLU A 138 -5.221 6.803 2.350 1.00 0.00 C ATOM 1342 CD GLU A 138 -4.502 8.161 2.345 1.00 0.00 C ATOM 1343 OE1 GLU A 138 -4.906 9.064 1.572 1.00 0.00 O ATOM 1344 OE2 GLU A 138 -3.498 8.363 3.058 1.00 0.00 O ATOM 0 H GLU A 138 -4.782 5.786 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.299 6.846 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -5.869 6.841 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -5.841 5.236 0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -6.227 6.928 2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -4.695 6.118 3.015 1.00 0.00 H new ATOM 1351 N LEU A 139 -3.462 3.525 0.553 1.00 0.00 N ATOM 1352 CA LEU A 139 -2.891 2.295 1.125 1.00 0.00 C ATOM 1353 C LEU A 139 -1.372 2.364 1.202 1.00 0.00 C ATOM 1354 O LEU A 139 -0.772 1.760 2.091 1.00 0.00 O ATOM 1355 CB LEU A 139 -3.256 1.028 0.332 1.00 0.00 C ATOM 1356 CG LEU A 139 -4.750 0.760 0.114 1.00 0.00 C ATOM 1357 CD1 LEU A 139 -4.975 -0.577 -0.587 1.00 0.00 C ATOM 1358 CD2 LEU A 139 -5.602 0.872 1.365 1.00 0.00 C ATOM 0 H LEU A 139 -4.067 3.357 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 139 -3.326 2.228 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.775 1.087 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -2.828 0.168 0.847 1.00 0.00 H new ATOM 0 HG LEU A 139 -5.091 1.565 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -6.044 -0.739 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -4.479 -0.567 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -4.563 -1.381 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -6.643 0.667 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -5.257 0.151 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.519 1.879 1.773 1.00 0.00 H new ATOM 1370 N CYS A 140 -0.758 3.076 0.260 1.00 0.00 N ATOM 1371 CA CYS A 140 0.670 3.290 0.203 1.00 0.00 C ATOM 1372 C CYS A 140 1.084 4.568 0.933 1.00 0.00 C ATOM 1373 O CYS A 140 2.128 4.575 1.575 1.00 0.00 O ATOM 1374 CB CYS A 140 1.078 3.214 -1.263 1.00 0.00 C ATOM 1375 SG CYS A 140 0.956 1.493 -1.824 1.00 0.00 S ATOM 0 H CYS A 140 -1.262 3.529 -0.502 1.00 0.00 H new ATOM 0 HA CYS A 140 1.215 2.516 0.743 1.00 0.00 H new ATOM 0 HB2 CYS A 140 0.433 3.853 -1.866 1.00 0.00 H new ATOM 0 HB3 CYS A 140 2.097 3.579 -1.389 1.00 0.00 H new ATOM 1380 N SER A 141 0.262 5.620 0.926 1.00 0.00 N ATOM 1381 CA SER A 141 0.469 6.818 1.744 1.00 0.00 C ATOM 1382 C SER A 141 0.559 6.555 3.253 1.00 0.00 C ATOM 1383 O SER A 141 1.148 7.351 3.982 1.00 0.00 O ATOM 1384 CB SER A 141 -0.679 7.805 1.514 1.00 0.00 C ATOM 1385 OG SER A 141 -0.866 8.161 0.152 1.00 0.00 O ATOM 0 H SER A 141 -0.576 5.665 0.346 1.00 0.00 H new ATOM 0 HA SER A 141 1.432 7.217 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 141 -1.602 7.369 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 141 -0.490 8.709 2.093 1.00 0.00 H new ATOM 0 HG SER A 141 -1.212 7.389 -0.343 1.00 0.00 H new ATOM 1391 N LEU A 142 -0.062 5.469 3.703 1.00 0.00 N ATOM 1392 CA LEU A 142 -0.583 5.242 5.047 1.00 0.00 C ATOM 1393 C LEU A 142 0.451 5.319 6.179 1.00 0.00 C ATOM 1394 O LEU A 142 0.082 5.555 7.327 1.00 0.00 O ATOM 1395 CB LEU A 142 -1.325 3.893 4.997 1.00 0.00 C ATOM 1396 CG LEU A 142 -2.734 3.936 5.630 1.00 0.00 C ATOM 1397 CD1 LEU A 142 -3.635 2.860 5.011 1.00 0.00 C ATOM 1398 CD2 LEU A 142 -2.706 3.713 7.142 1.00 0.00 C ATOM 0 H LEU A 142 -0.226 4.667 3.094 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.253 6.060 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.412 3.575 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.728 3.140 5.512 1.00 0.00 H new ATOM 0 HG LEU A 142 -3.125 4.934 5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -4.623 2.905 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -3.724 3.033 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -3.199 1.876 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -3.722 3.753 7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -2.272 2.737 7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -2.104 4.490 7.613 1.00 0.00 H new ATOM 1410 N LYS A 143 1.747 5.170 5.903 1.00 0.00 N ATOM 1411 CA LYS A 143 2.800 5.789 6.706 1.00 0.00 C ATOM 1412 C LYS A 143 3.942 6.029 5.746 1.00 0.00 C ATOM 1413 O LYS A 143 4.487 5.037 5.267 1.00 0.00 O ATOM 1414 CB LYS A 143 3.222 4.918 7.907 1.00 0.00 C ATOM 1415 CG LYS A 143 4.067 5.681 8.944 1.00 0.00 C ATOM 1416 CD LYS A 143 5.596 5.718 8.740 1.00 0.00 C ATOM 1417 CE LYS A 143 6.281 4.411 9.176 1.00 0.00 C ATOM 1418 NZ LYS A 143 7.753 4.563 9.285 1.00 0.00 N ATOM 0 H LYS A 143 2.095 4.618 5.119 1.00 0.00 H new ATOM 0 HA LYS A 143 2.454 6.717 7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 143 2.329 4.525 8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 143 3.790 4.062 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 143 3.709 6.710 8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 143 3.870 5.244 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 143 5.814 5.906 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 143 6.015 6.550 9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 143 5.877 4.094 10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 143 6.050 3.624 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 8.207 3.634 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 8.092 5.204 8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 7.993 4.958 10.217 1.00 0.00 H new ATOM 1432 N HIS A 144 4.273 7.296 5.482 1.00 0.00 N ATOM 1433 CA HIS A 144 5.229 7.758 4.475 1.00 0.00 C ATOM 1434 C HIS A 144 6.343 6.745 4.200 1.00 0.00 C ATOM 1435 O HIS A 144 6.253 5.979 3.250 1.00 0.00 O ATOM 1436 CB HIS A 144 5.770 9.161 4.829 1.00 0.00 C ATOM 1437 CG HIS A 144 6.379 9.303 6.211 1.00 0.00 C ATOM 1438 ND1 HIS A 144 5.723 9.209 7.420 1.00 0.00 N ATOM 1439 CD2 HIS A 144 7.705 9.513 6.480 1.00 0.00 C ATOM 1440 CE1 HIS A 144 6.641 9.329 8.395 1.00 0.00 C ATOM 1441 NE2 HIS A 144 7.867 9.495 7.871 1.00 0.00 N ATOM 0 H HIS A 144 3.855 8.071 5.997 1.00 0.00 H new ATOM 0 HA HIS A 144 4.687 7.846 3.534 1.00 0.00 H new ATOM 0 HB2 HIS A 144 6.523 9.437 4.091 1.00 0.00 H new ATOM 0 HB3 HIS A 144 4.955 9.878 4.736 1.00 0.00 H new ATOM 0 HD2 HIS A 144 8.486 9.665 5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 144 6.423 9.296 9.452 1.00 0.00 H new ATOM 0 HE2 HIS A 144 8.743 9.589 8.385 1.00 0.00 H new ATOM 1449 N CYS A 145 7.382 6.729 5.029 1.00 0.00 N ATOM 1450 CA CYS A 145 8.511 5.817 4.999 1.00 0.00 C ATOM 1451 C CYS A 145 9.366 6.288 6.175 1.00 0.00 C ATOM 1452 O CYS A 145 9.185 5.816 7.296 1.00 0.00 O ATOM 1453 CB CYS A 145 9.248 5.870 3.640 1.00 0.00 C ATOM 1454 SG CYS A 145 9.574 4.300 2.809 1.00 0.00 S ATOM 0 H CYS A 145 7.459 7.402 5.792 1.00 0.00 H new ATOM 0 HA CYS A 145 8.232 4.768 5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 145 8.663 6.494 2.964 1.00 0.00 H new ATOM 0 HB3 CYS A 145 10.202 6.374 3.794 1.00 0.00 H new ATOM 1459 N GLU A 146 10.185 7.305 5.933 1.00 0.00 N ATOM 1460 CA GLU A 146 11.114 7.996 6.808 1.00 0.00 C ATOM 1461 C GLU A 146 11.483 9.287 6.056 1.00 0.00 C ATOM 1462 O GLU A 146 11.135 9.415 4.881 1.00 0.00 O ATOM 1463 CB GLU A 146 12.350 7.094 7.037 1.00 0.00 C ATOM 1464 CG GLU A 146 12.475 6.544 8.463 1.00 0.00 C ATOM 1465 CD GLU A 146 12.960 7.595 9.458 1.00 0.00 C ATOM 1466 OE1 GLU A 146 12.550 8.774 9.345 1.00 0.00 O ATOM 1467 OE2 GLU A 146 13.713 7.283 10.403 1.00 0.00 O ATOM 0 H GLU A 146 10.213 7.713 4.998 1.00 0.00 H new ATOM 0 HA GLU A 146 10.699 8.225 7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 146 12.309 6.257 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 146 13.249 7.663 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 146 11.507 6.162 8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 146 13.167 5.702 8.464 1.00 0.00 H new ATOM 1474 N PHE A 147 12.178 10.236 6.694 1.00 0.00 N ATOM 1475 CA PHE A 147 12.670 11.508 6.126 1.00 0.00 C ATOM 1476 C PHE A 147 11.565 12.466 5.660 1.00 0.00 C ATOM 1477 O PHE A 147 11.449 13.574 6.189 1.00 0.00 O ATOM 1478 CB PHE A 147 13.773 11.269 5.065 1.00 0.00 C ATOM 1479 CG PHE A 147 13.684 12.038 3.748 1.00 0.00 C ATOM 1480 CD1 PHE A 147 13.660 13.448 3.727 1.00 0.00 C ATOM 1481 CD2 PHE A 147 13.534 11.331 2.538 1.00 0.00 C ATOM 1482 CE1 PHE A 147 13.425 14.137 2.522 1.00 0.00 C ATOM 1483 CE2 PHE A 147 13.298 12.022 1.336 1.00 0.00 C ATOM 1484 CZ PHE A 147 13.249 13.424 1.327 1.00 0.00 C ATOM 0 H PHE A 147 12.429 10.136 7.677 1.00 0.00 H new ATOM 0 HA PHE A 147 13.137 12.043 6.953 1.00 0.00 H new ATOM 0 HB2 PHE A 147 14.733 11.504 5.524 1.00 0.00 H new ATOM 0 HB3 PHE A 147 13.784 10.205 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 147 13.823 14.002 4.640 1.00 0.00 H new ATOM 0 HD2 PHE A 147 13.601 10.253 2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 147 13.380 15.216 2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 147 13.154 11.472 0.418 1.00 0.00 H new ATOM 0 HZ PHE A 147 13.076 13.953 0.402 1.00 0.00 H new ATOM 1494 N TRP A 148 10.800 12.120 4.633 1.00 0.00 N ATOM 1495 CA TRP A 148 9.853 13.007 3.993 1.00 0.00 C ATOM 1496 C TRP A 148 8.526 12.907 4.748 1.00 0.00 C ATOM 1497 O TRP A 148 7.753 11.975 4.557 1.00 0.00 O ATOM 1498 CB TRP A 148 9.773 12.652 2.504 1.00 0.00 C ATOM 1499 CG TRP A 148 9.422 11.236 2.164 1.00 0.00 C ATOM 1500 CD1 TRP A 148 10.227 10.152 2.213 1.00 0.00 C ATOM 1501 CD2 TRP A 148 8.106 10.723 1.847 1.00 0.00 C ATOM 1502 NE1 TRP A 148 9.514 9.020 1.893 1.00 0.00 N ATOM 1503 CE2 TRP A 148 8.182 9.310 1.691 1.00 0.00 C ATOM 1504 CE3 TRP A 148 6.836 11.321 1.793 1.00 0.00 C ATOM 1505 CZ2 TRP A 148 7.040 8.536 1.454 1.00 0.00 C ATOM 1506 CZ3 TRP A 148 5.686 10.547 1.622 1.00 0.00 C ATOM 1507 CH2 TRP A 148 5.785 9.159 1.415 1.00 0.00 C ATOM 0 H TRP A 148 10.826 11.190 4.216 1.00 0.00 H new ATOM 0 HA TRP A 148 10.157 14.053 4.034 1.00 0.00 H new ATOM 0 HB2 TRP A 148 9.036 13.306 2.038 1.00 0.00 H new ATOM 0 HB3 TRP A 148 10.736 12.882 2.048 1.00 0.00 H new ATOM 0 HD1 TRP A 148 11.277 10.171 2.466 1.00 0.00 H new ATOM 0 HE1 TRP A 148 9.919 8.087 1.815 1.00 0.00 H new ATOM 0 HE3 TRP A 148 6.748 12.393 1.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 148 7.125 7.470 1.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 148 4.714 11.017 1.649 1.00 0.00 H new ATOM 0 HH2 TRP A 148 4.896 8.575 1.227 1.00 0.00 H new