USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 624 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 NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 64 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.35) USER MOD Single : A 86 SER OG : rot 180:sc= -0.489 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0277 K(o=-0.028,f=-1.9!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.075 USER MOD Single : A 121 LYS NZ :NH3+ -154:sc= 0.682 (180deg=-0.138) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 123 GLN : amide:sc= -2.24 K(o=-2.2,f=-4.3!) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -159:sc= 1.04 USER MOD Single : A 127 LYS NZ :NH3+ -156:sc= -0.0124 (180deg=-0.642) USER MOD Single : A 132 ASN : amide:sc= -2.08 K(o=-2.1,f=-0.47) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 152:sc= -0.117 (180deg=-1.07) USER MOD Single : A 138 SER OG : rot -72:sc= -0.678 USER MOD Single : A 140 SER OG : rot -157:sc= -0.545 USER MOD Single : A 141 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.12) USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.0901 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 57.348 -1.771 13.718 1.00 0.00 N ATOM 2 CA GLY A 54 58.754 -1.549 13.402 1.00 0.00 C ATOM 3 C GLY A 54 59.434 -0.702 14.473 1.00 0.00 C ATOM 4 O GLY A 54 58.897 0.316 14.909 1.00 0.00 O ATOM 0 HA2 GLY A 54 59.265 -2.508 13.314 1.00 0.00 H new ATOM 0 HA3 GLY A 54 58.838 -1.053 12.435 1.00 0.00 H new ATOM 8 N GLY A 55 60.624 -1.127 14.885 1.00 0.00 N ATOM 9 CA GLY A 55 61.378 -0.399 15.899 1.00 0.00 C ATOM 10 C GLY A 55 61.741 0.998 15.409 1.00 0.00 C ATOM 11 O GLY A 55 61.676 1.969 16.162 1.00 0.00 O ATOM 0 H GLY A 55 61.085 -1.967 14.535 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.789 -0.326 16.813 1.00 0.00 H new ATOM 0 HA3 GLY A 55 62.286 -0.949 16.147 1.00 0.00 H new ATOM 15 N ALA A 56 62.131 1.086 14.141 1.00 0.00 N ATOM 16 CA ALA A 56 62.511 2.365 13.558 1.00 0.00 C ATOM 17 C ALA A 56 61.316 3.316 13.524 1.00 0.00 C ATOM 18 O ALA A 56 60.194 2.912 13.216 1.00 0.00 O ATOM 19 CB ALA A 56 63.059 2.142 12.140 1.00 0.00 C ATOM 0 H ALA A 56 62.192 0.293 13.503 1.00 0.00 H new ATOM 0 HA ALA A 56 63.287 2.818 14.174 1.00 0.00 H new ATOM 0 HB1 ALA A 56 63.343 3.100 11.705 1.00 0.00 H new ATOM 0 HB2 ALA A 56 63.932 1.491 12.186 1.00 0.00 H new ATOM 0 HB3 ALA A 56 62.291 1.676 11.522 1.00 0.00 H new ATOM 25 N GLU A 57 61.570 4.585 13.837 1.00 0.00 N ATOM 26 CA GLU A 57 60.520 5.602 13.835 1.00 0.00 C ATOM 27 C GLU A 57 60.424 6.275 12.466 1.00 0.00 C ATOM 28 O GLU A 57 59.884 7.377 12.325 1.00 0.00 O ATOM 29 CB GLU A 57 60.810 6.650 14.898 1.00 0.00 C ATOM 30 CG GLU A 57 60.615 6.034 16.282 1.00 0.00 C ATOM 31 CD GLU A 57 61.003 7.032 17.368 1.00 0.00 C ATOM 32 OE1 GLU A 57 61.551 8.068 17.027 1.00 0.00 O ATOM 33 OE2 GLU A 57 60.747 6.745 18.524 1.00 0.00 O ATOM 0 H GLU A 57 62.493 4.934 14.095 1.00 0.00 H new ATOM 0 HA GLU A 57 59.570 5.115 14.054 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.830 7.019 14.792 1.00 0.00 H new ATOM 0 HB3 GLU A 57 60.147 7.506 14.772 1.00 0.00 H new ATOM 0 HG2 GLU A 57 59.575 5.734 16.410 1.00 0.00 H new ATOM 0 HG3 GLU A 57 61.221 5.133 16.374 1.00 0.00 H new ATOM 40 N ALA A 58 60.946 5.597 11.459 1.00 0.00 N ATOM 41 CA ALA A 58 60.930 6.110 10.100 1.00 0.00 C ATOM 42 C ALA A 58 59.516 6.303 9.587 1.00 0.00 C ATOM 43 O ALA A 58 59.305 6.942 8.564 1.00 0.00 O ATOM 44 CB ALA A 58 61.741 5.209 9.175 1.00 0.00 C ATOM 0 H ALA A 58 61.389 4.684 11.558 1.00 0.00 H new ATOM 0 HA ALA A 58 61.399 7.094 10.111 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.716 5.611 8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.773 5.165 9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.314 4.206 9.178 1.00 0.00 H new ATOM 50 N LEU A 59 58.557 5.771 10.317 1.00 0.00 N ATOM 51 CA LEU A 59 57.156 5.899 9.957 1.00 0.00 C ATOM 52 C LEU A 59 56.810 7.346 9.625 1.00 0.00 C ATOM 53 O LEU A 59 55.848 7.612 8.903 1.00 0.00 O ATOM 54 CB LEU A 59 56.325 5.449 11.143 1.00 0.00 C ATOM 55 CG LEU A 59 56.406 3.933 11.258 1.00 0.00 C ATOM 56 CD1 LEU A 59 55.951 3.527 12.650 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.484 3.272 10.223 1.00 0.00 C ATOM 0 H LEU A 59 58.723 5.240 11.172 1.00 0.00 H new ATOM 0 HA LEU A 59 56.951 5.288 9.078 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.690 5.916 12.058 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.289 5.762 11.017 1.00 0.00 H new ATOM 0 HG LEU A 59 57.432 3.612 11.079 1.00 0.00 H new ATOM 0 HD11 LEU A 59 56.003 2.443 12.748 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.599 3.990 13.394 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.924 3.856 12.808 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.551 2.188 10.316 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.456 3.588 10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.790 3.570 9.220 1.00 0.00 H new ATOM 69 N GLU A 60 57.597 8.281 10.149 1.00 0.00 N ATOM 70 CA GLU A 60 57.351 9.685 9.882 1.00 0.00 C ATOM 71 C GLU A 60 57.419 9.968 8.393 1.00 0.00 C ATOM 72 O GLU A 60 56.578 10.680 7.846 1.00 0.00 O ATOM 73 CB GLU A 60 58.392 10.546 10.600 1.00 0.00 C ATOM 74 CG GLU A 60 58.146 10.497 12.105 1.00 0.00 C ATOM 75 CD GLU A 60 59.288 11.187 12.844 1.00 0.00 C ATOM 76 OE1 GLU A 60 60.287 11.482 12.207 1.00 0.00 O ATOM 77 OE2 GLU A 60 59.148 11.408 14.035 1.00 0.00 O ATOM 0 H GLU A 60 58.398 8.092 10.752 1.00 0.00 H new ATOM 0 HA GLU A 60 56.354 9.929 10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.396 10.186 10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.335 11.575 10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 60 57.201 10.985 12.343 1.00 0.00 H new ATOM 0 HG3 GLU A 60 58.062 9.461 12.434 1.00 0.00 H new ATOM 84 N LEU A 61 58.420 9.408 7.742 1.00 0.00 N ATOM 85 CA LEU A 61 58.581 9.612 6.305 1.00 0.00 C ATOM 86 C LEU A 61 58.154 8.379 5.507 1.00 0.00 C ATOM 87 O LEU A 61 57.498 8.508 4.473 1.00 0.00 O ATOM 88 CB LEU A 61 60.038 9.929 6.010 1.00 0.00 C ATOM 89 CG LEU A 61 60.498 11.117 6.854 1.00 0.00 C ATOM 90 CD1 LEU A 61 61.961 11.419 6.557 1.00 0.00 C ATOM 91 CD2 LEU A 61 59.644 12.353 6.542 1.00 0.00 C ATOM 0 H LEU A 61 59.129 8.815 8.173 1.00 0.00 H new ATOM 0 HA LEU A 61 57.941 10.441 6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.658 9.059 6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.162 10.156 4.951 1.00 0.00 H new ATOM 0 HG LEU A 61 60.384 10.866 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.287 12.267 7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.569 10.547 6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.075 11.660 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 61 59.982 13.192 7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 61 59.743 12.607 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.599 12.140 6.767 1.00 0.00 H new ATOM 103 N LEU A 62 58.528 7.192 6.000 1.00 0.00 N ATOM 104 CA LEU A 62 58.197 5.934 5.356 1.00 0.00 C ATOM 105 C LEU A 62 58.427 4.786 6.335 1.00 0.00 C ATOM 106 O LEU A 62 57.513 4.431 7.070 1.00 0.00 O ATOM 107 CB LEU A 62 59.037 5.750 4.087 1.00 0.00 C ATOM 108 CG LEU A 62 58.177 6.059 2.867 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.034 6.734 1.792 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.596 4.753 2.321 1.00 0.00 C ATOM 0 H LEU A 62 59.069 7.086 6.858 1.00 0.00 H new ATOM 0 HA LEU A 62 57.147 5.940 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.904 6.410 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.415 4.729 4.031 1.00 0.00 H new ATOM 0 HG LEU A 62 57.366 6.730 3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.418 6.954 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.449 7.661 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.846 6.067 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 62 56.979 4.966 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.408 4.084 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.986 4.277 3.089 1.00 0.00 H new ATOM 122 N GLU A 63 59.648 4.232 6.338 1.00 0.00 N ATOM 123 CA GLU A 63 60.025 3.128 7.224 1.00 0.00 C ATOM 124 C GLU A 63 61.328 2.467 6.771 1.00 0.00 C ATOM 125 O GLU A 63 62.354 2.545 7.455 1.00 0.00 O ATOM 126 CB GLU A 63 58.940 2.072 7.250 1.00 0.00 C ATOM 127 CG GLU A 63 58.231 2.102 8.600 1.00 0.00 C ATOM 128 CD GLU A 63 57.749 0.699 8.962 1.00 0.00 C ATOM 129 OE1 GLU A 63 57.272 0.013 8.072 1.00 0.00 O ATOM 130 OE2 GLU A 63 57.868 0.329 10.118 1.00 0.00 O ATOM 0 H GLU A 63 60.402 4.540 5.723 1.00 0.00 H new ATOM 0 HA GLU A 63 60.162 3.551 8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.224 2.251 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.373 1.087 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.909 2.473 9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.385 2.789 8.562 1.00 0.00 H new ATOM 137 N HIS A 64 61.269 1.805 5.622 1.00 0.00 N ATOM 138 CA HIS A 64 62.429 1.124 5.083 1.00 0.00 C ATOM 139 C HIS A 64 62.813 1.721 3.741 1.00 0.00 C ATOM 140 O HIS A 64 62.031 2.432 3.112 1.00 0.00 O ATOM 141 CB HIS A 64 62.133 -0.366 4.899 1.00 0.00 C ATOM 142 CG HIS A 64 60.818 -0.532 4.213 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.654 -0.720 4.928 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.458 -0.551 2.887 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.656 -0.847 4.048 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.085 -0.752 2.785 1.00 0.00 N ATOM 0 H HIS A 64 60.429 1.728 5.049 1.00 0.00 H new ATOM 0 HA HIS A 64 63.253 1.247 5.786 1.00 0.00 H new ATOM 0 HB2 HIS A 64 62.923 -0.835 4.312 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.116 -0.866 5.867 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.135 -0.429 2.054 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.624 -1.007 4.324 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.528 -0.813 1.933 1.00 0.00 H new ATOM 154 N CYS A 65 64.024 1.419 3.317 1.00 0.00 N ATOM 155 CA CYS A 65 64.550 1.909 2.053 1.00 0.00 C ATOM 156 C CYS A 65 64.054 1.057 0.887 1.00 0.00 C ATOM 157 O CYS A 65 63.963 -0.152 1.001 1.00 0.00 O ATOM 158 CB CYS A 65 66.065 1.873 2.116 1.00 0.00 C ATOM 159 SG CYS A 65 66.746 2.039 0.452 1.00 0.00 S ATOM 0 H CYS A 65 64.673 0.828 3.837 1.00 0.00 H new ATOM 0 HA CYS A 65 64.203 2.929 1.890 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.432 2.679 2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.398 0.937 2.564 1.00 0.00 H new ATOM 164 N GLY A 66 63.718 1.699 -0.229 1.00 0.00 N ATOM 165 CA GLY A 66 63.221 0.976 -1.405 1.00 0.00 C ATOM 166 C GLY A 66 64.275 0.063 -2.046 1.00 0.00 C ATOM 167 O GLY A 66 63.945 -1.019 -2.541 1.00 0.00 O ATOM 0 H GLY A 66 63.779 2.710 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.358 0.376 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.875 1.696 -2.146 1.00 0.00 H new ATOM 171 N VAL A 67 65.522 0.527 -2.089 1.00 0.00 N ATOM 172 CA VAL A 67 66.605 -0.227 -2.727 1.00 0.00 C ATOM 173 C VAL A 67 66.830 -1.599 -2.086 1.00 0.00 C ATOM 174 O VAL A 67 67.036 -2.589 -2.787 1.00 0.00 O ATOM 175 CB VAL A 67 67.901 0.571 -2.618 1.00 0.00 C ATOM 176 CG1 VAL A 67 69.076 -0.281 -3.095 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.810 1.839 -3.466 1.00 0.00 C ATOM 0 H VAL A 67 65.810 1.421 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 67 66.316 -0.386 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 67 68.056 0.850 -1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.999 0.294 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.151 -1.176 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.918 -0.570 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.740 2.401 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.644 1.568 -4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.981 2.453 -3.114 1.00 0.00 H new ATOM 187 N CYS A 68 66.829 -1.644 -0.761 1.00 0.00 N ATOM 188 CA CYS A 68 67.066 -2.900 -0.044 1.00 0.00 C ATOM 189 C CYS A 68 65.782 -3.447 0.568 1.00 0.00 C ATOM 190 O CYS A 68 65.673 -4.641 0.848 1.00 0.00 O ATOM 191 CB CYS A 68 68.111 -2.675 1.054 1.00 0.00 C ATOM 192 SG CYS A 68 67.516 -1.414 2.204 1.00 0.00 S ATOM 0 H CYS A 68 66.669 -0.835 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 68 67.433 -3.635 -0.760 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.301 -3.607 1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 68 69.057 -2.362 0.612 1.00 0.00 H new ATOM 197 N ARG A 69 64.803 -2.574 0.739 1.00 0.00 N ATOM 198 CA ARG A 69 63.513 -2.972 1.280 1.00 0.00 C ATOM 199 C ARG A 69 63.661 -3.442 2.722 1.00 0.00 C ATOM 200 O ARG A 69 62.973 -4.361 3.167 1.00 0.00 O ATOM 201 CB ARG A 69 62.912 -4.085 0.407 1.00 0.00 C ATOM 202 CG ARG A 69 63.172 -3.784 -1.081 1.00 0.00 C ATOM 203 CD ARG A 69 61.855 -3.646 -1.832 1.00 0.00 C ATOM 204 NE ARG A 69 61.397 -4.946 -2.316 1.00 0.00 N ATOM 205 CZ ARG A 69 60.154 -5.130 -2.776 1.00 0.00 C ATOM 206 NH1 ARG A 69 59.297 -4.141 -2.810 1.00 0.00 N ATOM 207 NH2 ARG A 69 59.791 -6.312 -3.197 1.00 0.00 N ATOM 0 H ARG A 69 64.877 -1.583 0.511 1.00 0.00 H new ATOM 0 HA ARG A 69 62.842 -2.113 1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.351 -5.046 0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.840 -4.163 0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 69 63.751 -2.865 -1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.767 -4.584 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 69 61.101 -3.210 -1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 69 61.980 -2.963 -2.672 1.00 0.00 H new ATOM 0 HE ARG A 69 62.043 -5.735 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 69 59.573 -3.215 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 69 58.353 -4.296 -3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 69 60.453 -7.087 -3.174 1.00 0.00 H new ATOM 0 HH22 ARG A 69 58.845 -6.460 -3.549 1.00 0.00 H new ATOM 221 N GLU A 70 64.562 -2.786 3.445 1.00 0.00 N ATOM 222 CA GLU A 70 64.804 -3.115 4.842 1.00 0.00 C ATOM 223 C GLU A 70 64.717 -1.871 5.699 1.00 0.00 C ATOM 224 O GLU A 70 65.058 -0.771 5.263 1.00 0.00 O ATOM 225 CB GLU A 70 66.176 -3.764 4.997 1.00 0.00 C ATOM 226 CG GLU A 70 66.223 -5.029 4.144 1.00 0.00 C ATOM 227 CD GLU A 70 65.208 -6.047 4.653 1.00 0.00 C ATOM 228 OE1 GLU A 70 64.828 -5.951 5.808 1.00 0.00 O ATOM 229 OE2 GLU A 70 64.826 -6.909 3.879 1.00 0.00 O ATOM 0 H GLU A 70 65.136 -2.023 3.085 1.00 0.00 H new ATOM 0 HA GLU A 70 64.040 -3.819 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 70 66.958 -3.071 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.362 -4.007 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 70 66.011 -4.783 3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.225 -5.458 4.172 1.00 0.00 H new ATOM 236 N ARG A 71 64.238 -2.055 6.915 1.00 0.00 N ATOM 237 CA ARG A 71 64.081 -0.950 7.840 1.00 0.00 C ATOM 238 C ARG A 71 65.376 -0.169 7.958 1.00 0.00 C ATOM 239 O ARG A 71 66.466 -0.724 7.819 1.00 0.00 O ATOM 240 CB ARG A 71 63.668 -1.504 9.203 1.00 0.00 C ATOM 241 CG ARG A 71 62.745 -0.515 9.915 1.00 0.00 C ATOM 242 CD ARG A 71 61.318 -0.696 9.393 1.00 0.00 C ATOM 243 NE ARG A 71 60.774 -1.974 9.855 1.00 0.00 N ATOM 244 CZ ARG A 71 59.688 -2.522 9.301 1.00 0.00 C ATOM 245 NH1 ARG A 71 59.071 -1.934 8.309 1.00 0.00 N ATOM 246 NH2 ARG A 71 59.236 -3.660 9.758 1.00 0.00 N ATOM 0 H ARG A 71 63.951 -2.961 7.285 1.00 0.00 H new ATOM 0 HA ARG A 71 63.312 -0.272 7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.161 -2.460 9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.553 -1.690 9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 71 62.775 -0.681 10.992 1.00 0.00 H new ATOM 0 HG3 ARG A 71 63.082 0.507 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 71 60.688 0.123 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 71 61.313 -0.662 8.304 1.00 0.00 H new ATOM 0 HE ARG A 71 61.237 -2.461 10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 71 59.417 -1.045 7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 71 58.243 -2.364 7.896 1.00 0.00 H new ATOM 0 HH21 ARG A 71 59.711 -4.124 10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 71 58.408 -4.084 9.340 1.00 0.00 H new ATOM 260 N LEU A 72 65.247 1.128 8.199 1.00 0.00 N ATOM 261 CA LEU A 72 66.413 1.978 8.319 1.00 0.00 C ATOM 262 C LEU A 72 67.121 1.719 9.646 1.00 0.00 C ATOM 263 O LEU A 72 66.696 2.199 10.695 1.00 0.00 O ATOM 264 CB LEU A 72 65.973 3.437 8.223 1.00 0.00 C ATOM 265 CG LEU A 72 65.309 3.684 6.861 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.659 5.079 6.855 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.362 3.586 5.741 1.00 0.00 C ATOM 0 H LEU A 72 64.354 1.607 8.314 1.00 0.00 H new ATOM 0 HA LEU A 72 67.114 1.757 7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.275 3.671 9.027 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.833 4.096 8.345 1.00 0.00 H new ATOM 0 HG LEU A 72 64.541 2.930 6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.187 5.256 5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.907 5.133 7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.422 5.837 7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 72 65.885 3.762 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.138 4.334 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.809 2.592 5.748 1.00 0.00 H new ATOM 279 N ARG A 73 68.211 0.955 9.580 1.00 0.00 N ATOM 280 CA ARG A 73 68.991 0.630 10.773 1.00 0.00 C ATOM 281 C ARG A 73 69.743 1.872 11.253 1.00 0.00 C ATOM 282 O ARG A 73 69.791 2.876 10.549 1.00 0.00 O ATOM 283 CB ARG A 73 69.951 -0.512 10.483 1.00 0.00 C ATOM 284 CG ARG A 73 71.325 0.042 10.185 1.00 0.00 C ATOM 285 CD ARG A 73 72.170 -1.046 9.562 1.00 0.00 C ATOM 286 NE ARG A 73 72.585 -2.012 10.572 1.00 0.00 N ATOM 287 CZ ARG A 73 73.356 -3.053 10.265 1.00 0.00 C ATOM 288 NH1 ARG A 73 73.766 -3.242 9.036 1.00 0.00 N ATOM 289 NH2 ARG A 73 73.709 -3.894 11.200 1.00 0.00 N ATOM 0 H ARG A 73 68.573 0.551 8.716 1.00 0.00 H new ATOM 0 HA ARG A 73 68.316 0.306 11.566 1.00 0.00 H new ATOM 0 HB2 ARG A 73 69.998 -1.187 11.338 1.00 0.00 H new ATOM 0 HB3 ARG A 73 69.592 -1.096 9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 73 71.249 0.893 9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 73 71.792 0.403 11.101 1.00 0.00 H new ATOM 0 HD2 ARG A 73 71.604 -1.550 8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 73 73.048 -0.606 9.088 1.00 0.00 H new ATOM 0 HE ARG A 73 72.277 -1.887 11.536 1.00 0.00 H new ATOM 0 HH11 ARG A 73 73.495 -2.588 8.302 1.00 0.00 H new ATOM 0 HH12 ARG A 73 74.356 -4.043 8.813 1.00 0.00 H new ATOM 0 HH21 ARG A 73 73.394 -3.751 12.160 1.00 0.00 H new ATOM 0 HH22 ARG A 73 74.300 -4.693 10.971 1.00 0.00 H new ATOM 303 N PRO A 74 70.283 1.851 12.441 1.00 0.00 N ATOM 304 CA PRO A 74 70.996 3.037 13.017 1.00 0.00 C ATOM 305 C PRO A 74 72.129 3.554 12.121 1.00 0.00 C ATOM 306 O PRO A 74 72.280 4.762 11.931 1.00 0.00 O ATOM 307 CB PRO A 74 71.543 2.513 14.347 1.00 0.00 C ATOM 308 CG PRO A 74 70.699 1.329 14.685 1.00 0.00 C ATOM 309 CD PRO A 74 70.300 0.703 13.357 1.00 0.00 C ATOM 0 HA PRO A 74 70.330 3.893 13.124 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.593 2.234 14.257 1.00 0.00 H new ATOM 0 HB3 PRO A 74 71.481 3.274 15.124 1.00 0.00 H new ATOM 0 HG2 PRO A 74 71.252 0.619 15.300 1.00 0.00 H new ATOM 0 HG3 PRO A 74 69.819 1.627 15.255 1.00 0.00 H new ATOM 0 HD2 PRO A 74 71.014 -0.057 13.038 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.325 0.219 13.416 1.00 0.00 H new ATOM 317 N GLU A 75 72.912 2.633 11.572 1.00 0.00 N ATOM 318 CA GLU A 75 74.026 2.982 10.691 1.00 0.00 C ATOM 319 C GLU A 75 73.566 3.119 9.232 1.00 0.00 C ATOM 320 O GLU A 75 74.386 3.336 8.337 1.00 0.00 O ATOM 321 CB GLU A 75 75.114 1.906 10.789 1.00 0.00 C ATOM 322 CG GLU A 75 75.762 1.956 12.177 1.00 0.00 C ATOM 323 CD GLU A 75 76.763 0.815 12.336 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.780 -0.057 11.483 1.00 0.00 O ATOM 325 OE2 GLU A 75 77.500 0.829 13.310 1.00 0.00 O ATOM 0 H GLU A 75 72.796 1.631 11.722 1.00 0.00 H new ATOM 0 HA GLU A 75 74.424 3.945 11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 75 74.682 0.921 10.613 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.868 2.066 10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 75 76.266 2.913 12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 75 74.994 1.885 12.947 1.00 0.00 H new ATOM 332 N ARG A 76 72.260 2.964 8.992 1.00 0.00 N ATOM 333 CA ARG A 76 71.717 3.043 7.637 1.00 0.00 C ATOM 334 C ARG A 76 71.891 4.429 7.054 1.00 0.00 C ATOM 335 O ARG A 76 71.933 4.598 5.828 1.00 0.00 O ATOM 336 CB ARG A 76 70.214 2.771 7.680 1.00 0.00 C ATOM 337 CG ARG A 76 69.731 2.282 6.318 1.00 0.00 C ATOM 338 CD ARG A 76 69.847 0.758 6.249 1.00 0.00 C ATOM 339 NE ARG A 76 71.147 0.363 5.704 1.00 0.00 N ATOM 340 CZ ARG A 76 71.506 -0.922 5.586 1.00 0.00 C ATOM 341 NH1 ARG A 76 70.700 -1.885 5.958 1.00 0.00 N ATOM 342 NH2 ARG A 76 72.677 -1.223 5.089 1.00 0.00 N ATOM 0 H ARG A 76 71.564 2.784 9.716 1.00 0.00 H new ATOM 0 HA ARG A 76 72.249 2.312 7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 76 69.993 2.024 8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 76 69.680 3.679 7.959 1.00 0.00 H new ATOM 0 HG2 ARG A 76 68.697 2.586 6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 76 70.324 2.738 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 76 69.720 0.333 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 76 69.048 0.355 5.626 1.00 0.00 H new ATOM 0 HE ARG A 76 71.799 1.088 5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 76 69.783 -1.662 6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 76 70.989 -2.858 5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 76 73.312 -0.481 4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 76 72.956 -2.200 4.997 1.00 0.00 H new ATOM 356 N GLU A 77 71.975 5.417 7.934 1.00 0.00 N ATOM 357 CA GLU A 77 72.125 6.786 7.498 1.00 0.00 C ATOM 358 C GLU A 77 71.115 7.092 6.407 1.00 0.00 C ATOM 359 O GLU A 77 71.465 7.259 5.239 1.00 0.00 O ATOM 360 CB GLU A 77 73.539 7.011 6.985 1.00 0.00 C ATOM 361 CG GLU A 77 73.741 8.496 6.719 1.00 0.00 C ATOM 362 CD GLU A 77 75.169 8.750 6.261 1.00 0.00 C ATOM 363 OE1 GLU A 77 75.938 7.803 6.243 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.476 9.885 5.936 1.00 0.00 O ATOM 0 H GLU A 77 71.942 5.291 8.946 1.00 0.00 H new ATOM 0 HA GLU A 77 71.946 7.454 8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.265 6.658 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.703 6.439 6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.040 8.837 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.533 9.068 7.623 1.00 0.00 H new ATOM 371 N PRO A 78 69.871 7.134 6.774 1.00 0.00 N ATOM 372 CA PRO A 78 68.757 7.389 5.826 1.00 0.00 C ATOM 373 C PRO A 78 68.803 8.806 5.267 1.00 0.00 C ATOM 374 O PRO A 78 69.119 9.763 5.982 1.00 0.00 O ATOM 375 CB PRO A 78 67.503 7.170 6.676 1.00 0.00 C ATOM 376 CG PRO A 78 67.943 7.392 8.082 1.00 0.00 C ATOM 377 CD PRO A 78 69.396 6.947 8.147 1.00 0.00 C ATOM 0 HA PRO A 78 68.798 6.739 4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 78 66.711 7.865 6.396 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.106 6.164 6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 78 67.844 8.441 8.360 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.329 6.819 8.777 1.00 0.00 H new ATOM 0 HD2 PRO A 78 69.968 7.546 8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 78 69.484 5.908 8.464 1.00 0.00 H new ATOM 385 N ARG A 79 68.494 8.927 3.987 1.00 0.00 N ATOM 386 CA ARG A 79 68.516 10.225 3.322 1.00 0.00 C ATOM 387 C ARG A 79 67.275 10.405 2.458 1.00 0.00 C ATOM 388 O ARG A 79 66.770 9.447 1.880 1.00 0.00 O ATOM 389 CB ARG A 79 69.757 10.324 2.443 1.00 0.00 C ATOM 390 CG ARG A 79 70.561 11.571 2.812 1.00 0.00 C ATOM 391 CD ARG A 79 72.018 11.392 2.376 1.00 0.00 C ATOM 392 NE ARG A 79 72.828 12.514 2.851 1.00 0.00 N ATOM 393 CZ ARG A 79 74.145 12.578 2.628 1.00 0.00 C ATOM 394 NH1 ARG A 79 74.761 11.637 1.960 1.00 0.00 N ATOM 395 NH2 ARG A 79 74.826 13.595 3.085 1.00 0.00 N ATOM 0 H ARG A 79 68.225 8.147 3.387 1.00 0.00 H new ATOM 0 HA ARG A 79 68.533 11.006 4.082 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.373 9.434 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.467 10.366 1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 79 70.132 12.449 2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 79 70.511 11.743 3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.412 10.456 2.772 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.075 11.327 1.289 1.00 0.00 H new ATOM 0 HE ARG A 79 72.375 13.269 3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 79 74.236 10.840 1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 79 75.766 11.701 1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 79 74.353 14.332 3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 79 75.831 13.652 2.919 1.00 0.00 H new ATOM 409 N LEU A 80 66.788 11.639 2.379 1.00 0.00 N ATOM 410 CA LEU A 80 65.597 11.927 1.589 1.00 0.00 C ATOM 411 C LEU A 80 65.961 12.527 0.232 1.00 0.00 C ATOM 412 O LEU A 80 66.610 13.570 0.156 1.00 0.00 O ATOM 413 CB LEU A 80 64.706 12.903 2.349 1.00 0.00 C ATOM 414 CG LEU A 80 63.336 12.958 1.687 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.358 12.144 2.526 1.00 0.00 C ATOM 416 CD2 LEU A 80 62.863 14.412 1.610 1.00 0.00 C ATOM 0 H LEU A 80 67.195 12.448 2.848 1.00 0.00 H new ATOM 0 HA LEU A 80 65.069 10.989 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.608 12.589 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.158 13.895 2.357 1.00 0.00 H new ATOM 0 HG LEU A 80 63.391 12.549 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.371 12.173 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 80 62.701 11.111 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.302 12.565 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.882 14.451 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.797 14.827 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.573 14.995 1.023 1.00 0.00 H new ATOM 428 N LEU A 81 65.523 11.865 -0.836 1.00 0.00 N ATOM 429 CA LEU A 81 65.792 12.342 -2.185 1.00 0.00 C ATOM 430 C LEU A 81 64.803 13.438 -2.581 1.00 0.00 C ATOM 431 O LEU A 81 63.778 13.630 -1.932 1.00 0.00 O ATOM 432 CB LEU A 81 65.682 11.189 -3.183 1.00 0.00 C ATOM 433 CG LEU A 81 67.066 10.829 -3.725 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.976 10.364 -2.582 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.914 9.704 -4.750 1.00 0.00 C ATOM 0 H LEU A 81 64.983 11.001 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 81 66.803 12.750 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 81 65.235 10.320 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 81 65.023 11.470 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 81 67.514 11.705 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.959 10.110 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 81 68.077 11.164 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.540 9.487 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.894 9.437 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.466 8.833 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 81 66.273 10.039 -5.566 1.00 0.00 H new ATOM 447 N PRO A 82 65.090 14.142 -3.641 1.00 0.00 N ATOM 448 CA PRO A 82 64.210 15.237 -4.155 1.00 0.00 C ATOM 449 C PRO A 82 62.832 14.722 -4.569 1.00 0.00 C ATOM 450 O PRO A 82 61.890 15.500 -4.721 1.00 0.00 O ATOM 451 CB PRO A 82 64.960 15.782 -5.375 1.00 0.00 C ATOM 452 CG PRO A 82 66.354 15.266 -5.276 1.00 0.00 C ATOM 453 CD PRO A 82 66.284 13.971 -4.475 1.00 0.00 C ATOM 0 HA PRO A 82 64.024 15.991 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.488 15.452 -6.300 1.00 0.00 H new ATOM 0 HB3 PRO A 82 64.949 16.872 -5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 82 66.772 15.087 -6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 82 67.002 15.991 -4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.196 13.102 -5.126 1.00 0.00 H new ATOM 0 HD3 PRO A 82 67.178 13.826 -3.869 1.00 0.00 H new ATOM 461 N CYS A 83 62.726 13.411 -4.747 1.00 0.00 N ATOM 462 CA CYS A 83 61.469 12.793 -5.140 1.00 0.00 C ATOM 463 C CYS A 83 60.644 12.444 -3.913 1.00 0.00 C ATOM 464 O CYS A 83 59.532 11.930 -4.034 1.00 0.00 O ATOM 465 CB CYS A 83 61.742 11.533 -5.965 1.00 0.00 C ATOM 466 SG CYS A 83 62.829 10.427 -5.032 1.00 0.00 S ATOM 0 H CYS A 83 63.498 12.755 -4.625 1.00 0.00 H new ATOM 0 HA CYS A 83 60.906 13.501 -5.748 1.00 0.00 H new ATOM 0 HB2 CYS A 83 60.805 11.028 -6.199 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.205 11.800 -6.915 1.00 0.00 H new ATOM 471 N LEU A 84 61.206 12.730 -2.734 1.00 0.00 N ATOM 472 CA LEU A 84 60.538 12.463 -1.477 1.00 0.00 C ATOM 473 C LEU A 84 60.546 10.981 -1.162 1.00 0.00 C ATOM 474 O LEU A 84 59.540 10.407 -0.751 1.00 0.00 O ATOM 475 CB LEU A 84 59.097 12.987 -1.512 1.00 0.00 C ATOM 476 CG LEU A 84 58.709 13.585 -0.161 1.00 0.00 C ATOM 477 CD1 LEU A 84 57.311 14.199 -0.272 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.699 12.480 0.900 1.00 0.00 C ATOM 0 H LEU A 84 62.130 13.150 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 84 61.083 12.984 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.998 13.742 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.415 12.175 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 84 59.428 14.353 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 84 57.025 14.629 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 84 57.316 14.980 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.595 13.426 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 84 58.422 12.905 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.976 11.713 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.691 12.035 0.971 1.00 0.00 H new ATOM 490 N HIS A 85 61.698 10.374 -1.339 1.00 0.00 N ATOM 491 CA HIS A 85 61.844 8.963 -1.051 1.00 0.00 C ATOM 492 C HIS A 85 63.059 8.751 -0.167 1.00 0.00 C ATOM 493 O HIS A 85 64.178 9.126 -0.522 1.00 0.00 O ATOM 494 CB HIS A 85 62.007 8.184 -2.347 1.00 0.00 C ATOM 495 CG HIS A 85 60.761 8.334 -3.180 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.786 8.284 -4.564 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.445 8.532 -2.839 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.525 8.453 -5.000 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.668 8.608 -3.990 1.00 0.00 N ATOM 0 H HIS A 85 62.544 10.831 -1.679 1.00 0.00 H new ATOM 0 HA HIS A 85 60.953 8.607 -0.534 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.873 8.551 -2.898 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.189 7.131 -2.131 1.00 0.00 H new ATOM 0 HD2 HIS A 85 59.070 8.616 -1.830 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.241 8.462 -6.042 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.660 8.751 -4.049 1.00 0.00 H new ATOM 507 N SER A 86 62.829 8.156 0.983 1.00 0.00 N ATOM 508 CA SER A 86 63.915 7.903 1.919 1.00 0.00 C ATOM 509 C SER A 86 64.594 6.580 1.592 1.00 0.00 C ATOM 510 O SER A 86 63.935 5.586 1.288 1.00 0.00 O ATOM 511 CB SER A 86 63.389 7.836 3.345 1.00 0.00 C ATOM 512 OG SER A 86 62.677 9.028 3.647 1.00 0.00 O ATOM 0 H SER A 86 61.911 7.839 1.295 1.00 0.00 H new ATOM 0 HA SER A 86 64.630 8.721 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.736 6.971 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.216 7.708 4.043 1.00 0.00 H new ATOM 0 HG SER A 86 62.337 8.982 4.565 1.00 0.00 H new ATOM 518 N ALA A 87 65.914 6.581 1.662 1.00 0.00 N ATOM 519 CA ALA A 87 66.688 5.378 1.372 1.00 0.00 C ATOM 520 C ALA A 87 68.025 5.403 2.113 1.00 0.00 C ATOM 521 O ALA A 87 68.449 6.443 2.615 1.00 0.00 O ATOM 522 CB ALA A 87 66.935 5.264 -0.137 1.00 0.00 C ATOM 0 H ALA A 87 66.474 7.395 1.916 1.00 0.00 H new ATOM 0 HA ALA A 87 66.118 4.513 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.513 4.364 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 87 65.980 5.210 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.488 6.138 -0.482 1.00 0.00 H new ATOM 528 N CYS A 88 68.686 4.247 2.170 1.00 0.00 N ATOM 529 CA CYS A 88 69.977 4.142 2.842 1.00 0.00 C ATOM 530 C CYS A 88 71.024 4.907 2.054 1.00 0.00 C ATOM 531 O CYS A 88 71.053 4.830 0.837 1.00 0.00 O ATOM 532 CB CYS A 88 70.420 2.679 2.915 1.00 0.00 C ATOM 533 SG CYS A 88 69.011 1.615 3.284 1.00 0.00 S ATOM 0 H CYS A 88 68.349 3.375 1.761 1.00 0.00 H new ATOM 0 HA CYS A 88 69.875 4.552 3.847 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.871 2.381 1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.184 2.561 3.683 1.00 0.00 H new ATOM 538 N SER A 89 71.893 5.624 2.744 1.00 0.00 N ATOM 539 CA SER A 89 72.926 6.383 2.066 1.00 0.00 C ATOM 540 C SER A 89 73.752 5.463 1.181 1.00 0.00 C ATOM 541 O SER A 89 74.062 5.803 0.039 1.00 0.00 O ATOM 542 CB SER A 89 73.827 7.041 3.107 1.00 0.00 C ATOM 543 OG SER A 89 74.859 7.761 2.452 1.00 0.00 O ATOM 0 H SER A 89 71.904 5.696 3.761 1.00 0.00 H new ATOM 0 HA SER A 89 72.463 7.148 1.443 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.243 7.713 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.257 6.284 3.762 1.00 0.00 H new ATOM 0 HG SER A 89 75.437 8.185 3.120 1.00 0.00 H new ATOM 549 N ALA A 90 74.088 4.286 1.691 1.00 0.00 N ATOM 550 CA ALA A 90 74.853 3.334 0.899 1.00 0.00 C ATOM 551 C ALA A 90 74.054 2.954 -0.347 1.00 0.00 C ATOM 552 O ALA A 90 74.607 2.843 -1.438 1.00 0.00 O ATOM 553 CB ALA A 90 75.158 2.084 1.720 1.00 0.00 C ATOM 0 H ALA A 90 73.848 3.972 2.631 1.00 0.00 H new ATOM 0 HA ALA A 90 75.796 3.794 0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.730 1.382 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.738 2.360 2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.224 1.617 2.032 1.00 0.00 H new ATOM 559 N CYS A 91 72.739 2.780 -0.174 1.00 0.00 N ATOM 560 CA CYS A 91 71.855 2.440 -1.284 1.00 0.00 C ATOM 561 C CYS A 91 71.793 3.592 -2.286 1.00 0.00 C ATOM 562 O CYS A 91 71.705 3.380 -3.496 1.00 0.00 O ATOM 563 CB CYS A 91 70.458 2.107 -0.760 1.00 0.00 C ATOM 564 SG CYS A 91 70.517 0.524 0.116 1.00 0.00 S ATOM 0 H CYS A 91 72.268 2.870 0.726 1.00 0.00 H new ATOM 0 HA CYS A 91 72.253 1.563 -1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.109 2.894 -0.091 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.749 2.054 -1.586 1.00 0.00 H new ATOM 569 N LEU A 92 71.828 4.808 -1.758 1.00 0.00 N ATOM 570 CA LEU A 92 71.776 6.008 -2.577 1.00 0.00 C ATOM 571 C LEU A 92 73.035 6.145 -3.438 1.00 0.00 C ATOM 572 O LEU A 92 72.991 6.715 -4.529 1.00 0.00 O ATOM 573 CB LEU A 92 71.623 7.229 -1.669 1.00 0.00 C ATOM 574 CG LEU A 92 70.248 7.216 -0.989 1.00 0.00 C ATOM 575 CD1 LEU A 92 70.158 8.391 -0.030 1.00 0.00 C ATOM 576 CD2 LEU A 92 69.138 7.329 -2.023 1.00 0.00 C ATOM 0 H LEU A 92 71.893 4.988 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 92 70.920 5.938 -3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.410 7.231 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 92 71.739 8.142 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 92 70.130 6.276 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 92 69.183 8.389 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 92 70.941 8.306 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 92 70.285 9.322 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 92 68.171 7.318 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 92 69.249 8.262 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 92 69.198 6.488 -2.714 1.00 0.00 H new ATOM 588 N GLY A 93 74.153 5.624 -2.942 1.00 0.00 N ATOM 589 CA GLY A 93 75.415 5.701 -3.679 1.00 0.00 C ATOM 590 C GLY A 93 75.253 5.245 -5.135 1.00 0.00 C ATOM 591 O GLY A 93 75.475 6.033 -6.054 1.00 0.00 O ATOM 0 H GLY A 93 74.214 5.148 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.786 6.726 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 93 76.163 5.081 -3.185 1.00 0.00 H new ATOM 595 N PRO A 94 74.854 4.015 -5.374 1.00 0.00 N ATOM 596 CA PRO A 94 74.645 3.500 -6.765 1.00 0.00 C ATOM 597 C PRO A 94 73.528 4.242 -7.501 1.00 0.00 C ATOM 598 O PRO A 94 73.420 4.159 -8.725 1.00 0.00 O ATOM 599 CB PRO A 94 74.287 2.024 -6.572 1.00 0.00 C ATOM 600 CG PRO A 94 73.817 1.911 -5.165 1.00 0.00 C ATOM 601 CD PRO A 94 74.577 2.972 -4.370 1.00 0.00 C ATOM 0 HA PRO A 94 75.532 3.645 -7.382 1.00 0.00 H new ATOM 0 HB2 PRO A 94 73.511 1.714 -7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 94 75.151 1.384 -6.750 1.00 0.00 H new ATOM 0 HG2 PRO A 94 72.741 2.074 -5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 94 74.013 0.915 -4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.981 3.358 -3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.496 2.572 -3.942 1.00 0.00 H new ATOM 609 N ALA A 95 72.697 4.960 -6.750 1.00 0.00 N ATOM 610 CA ALA A 95 71.591 5.705 -7.349 1.00 0.00 C ATOM 611 C ALA A 95 72.116 6.748 -8.339 1.00 0.00 C ATOM 612 O ALA A 95 71.408 7.155 -9.258 1.00 0.00 O ATOM 613 CB ALA A 95 70.761 6.390 -6.258 1.00 0.00 C ATOM 0 H ALA A 95 72.766 5.042 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 95 70.957 5.002 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.941 6.941 -6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.358 5.637 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 95 71.393 7.080 -5.699 1.00 0.00 H new ATOM 619 N ALA A 96 73.362 7.176 -8.149 1.00 0.00 N ATOM 620 CA ALA A 96 73.963 8.166 -9.041 1.00 0.00 C ATOM 621 C ALA A 96 75.164 7.557 -9.776 1.00 0.00 C ATOM 622 O ALA A 96 76.297 7.647 -9.302 1.00 0.00 O ATOM 623 CB ALA A 96 74.434 9.372 -8.228 1.00 0.00 C ATOM 0 H ALA A 96 73.970 6.857 -7.394 1.00 0.00 H new ATOM 0 HA ALA A 96 73.216 8.480 -9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.882 10.108 -8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 96 73.583 9.819 -7.713 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.173 9.050 -7.495 1.00 0.00 H new ATOM 629 N PRO A 97 74.941 6.935 -10.916 1.00 0.00 N ATOM 630 CA PRO A 97 76.031 6.302 -11.709 1.00 0.00 C ATOM 631 C PRO A 97 76.840 7.313 -12.510 1.00 0.00 C ATOM 632 O PRO A 97 76.295 8.039 -13.340 1.00 0.00 O ATOM 633 CB PRO A 97 75.294 5.345 -12.638 1.00 0.00 C ATOM 634 CG PRO A 97 73.919 5.903 -12.795 1.00 0.00 C ATOM 635 CD PRO A 97 73.634 6.777 -11.569 1.00 0.00 C ATOM 0 HA PRO A 97 76.761 5.810 -11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 97 75.798 5.271 -13.602 1.00 0.00 H new ATOM 0 HB3 PRO A 97 75.262 4.340 -12.217 1.00 0.00 H new ATOM 0 HG2 PRO A 97 73.846 6.491 -13.710 1.00 0.00 H new ATOM 0 HG3 PRO A 97 73.186 5.100 -12.872 1.00 0.00 H new ATOM 0 HD2 PRO A 97 73.216 7.741 -11.858 1.00 0.00 H new ATOM 0 HD3 PRO A 97 72.913 6.303 -10.903 1.00 0.00 H new ATOM 643 N ALA A 98 78.145 7.347 -12.268 1.00 0.00 N ATOM 644 CA ALA A 98 79.015 8.268 -12.985 1.00 0.00 C ATOM 645 C ALA A 98 79.019 7.963 -14.479 1.00 0.00 C ATOM 646 O ALA A 98 79.019 8.872 -15.307 1.00 0.00 O ATOM 647 CB ALA A 98 80.438 8.178 -12.441 1.00 0.00 C ATOM 0 H ALA A 98 78.619 6.753 -11.588 1.00 0.00 H new ATOM 0 HA ALA A 98 78.633 9.278 -12.837 1.00 0.00 H new ATOM 0 HB1 ALA A 98 81.080 8.871 -12.985 1.00 0.00 H new ATOM 0 HB2 ALA A 98 80.440 8.436 -11.382 1.00 0.00 H new ATOM 0 HB3 ALA A 98 80.812 7.162 -12.567 1.00 0.00 H new ATOM 653 N ALA A 99 79.029 6.678 -14.820 1.00 0.00 N ATOM 654 CA ALA A 99 79.040 6.272 -16.220 1.00 0.00 C ATOM 655 C ALA A 99 80.142 7.005 -16.982 1.00 0.00 C ATOM 656 O ALA A 99 80.027 7.242 -18.185 1.00 0.00 O ATOM 657 CB ALA A 99 77.684 6.571 -16.863 1.00 0.00 C ATOM 0 H ALA A 99 79.030 5.907 -14.153 1.00 0.00 H new ATOM 0 HA ALA A 99 79.233 5.200 -16.266 1.00 0.00 H new ATOM 0 HB1 ALA A 99 77.702 6.264 -17.909 1.00 0.00 H new ATOM 0 HB2 ALA A 99 76.903 6.022 -16.337 1.00 0.00 H new ATOM 0 HB3 ALA A 99 77.480 7.640 -16.802 1.00 0.00 H new ATOM 663 N ALA A 100 81.209 7.359 -16.274 1.00 0.00 N ATOM 664 CA ALA A 100 82.330 8.061 -16.890 1.00 0.00 C ATOM 665 C ALA A 100 82.960 7.207 -17.986 1.00 0.00 C ATOM 666 O ALA A 100 83.363 7.718 -19.031 1.00 0.00 O ATOM 667 CB ALA A 100 83.382 8.404 -15.833 1.00 0.00 C ATOM 0 H ALA A 100 81.322 7.173 -15.278 1.00 0.00 H new ATOM 0 HA ALA A 100 81.955 8.983 -17.335 1.00 0.00 H new ATOM 0 HB1 ALA A 100 84.214 8.928 -16.304 1.00 0.00 H new ATOM 0 HB2 ALA A 100 82.937 9.043 -15.070 1.00 0.00 H new ATOM 0 HB3 ALA A 100 83.746 7.486 -15.371 1.00 0.00 H new ATOM 673 N ASN A 101 83.048 5.904 -17.737 1.00 0.00 N ATOM 674 CA ASN A 101 83.639 4.990 -18.709 1.00 0.00 C ATOM 675 C ASN A 101 82.861 5.019 -20.021 1.00 0.00 C ATOM 676 O ASN A 101 83.449 4.991 -21.100 1.00 0.00 O ATOM 677 CB ASN A 101 83.639 3.565 -18.150 1.00 0.00 C ATOM 678 CG ASN A 101 84.662 3.442 -17.026 1.00 0.00 C ATOM 679 OD1 ASN A 101 85.579 4.257 -16.928 1.00 0.00 O ATOM 680 ND2 ASN A 101 84.560 2.464 -16.167 1.00 0.00 N ATOM 0 H ASN A 101 82.721 5.460 -16.879 1.00 0.00 H new ATOM 0 HA ASN A 101 84.663 5.310 -18.901 1.00 0.00 H new ATOM 0 HB2 ASN A 101 82.646 3.312 -17.778 1.00 0.00 H new ATOM 0 HB3 ASN A 101 83.872 2.855 -18.943 1.00 0.00 H new ATOM 0 HD21 ASN A 101 85.241 2.374 -15.413 1.00 0.00 H new ATOM 0 HD22 ASN A 101 83.799 1.790 -16.250 1.00 0.00 H new ATOM 687 N SER A 102 81.537 5.080 -19.922 1.00 0.00 N ATOM 688 CA SER A 102 80.697 5.121 -21.114 1.00 0.00 C ATOM 689 C SER A 102 79.424 5.922 -20.854 1.00 0.00 C ATOM 690 O SER A 102 78.725 5.690 -19.869 1.00 0.00 O ATOM 691 CB SER A 102 80.330 3.699 -21.543 1.00 0.00 C ATOM 692 OG SER A 102 79.457 3.754 -22.663 1.00 0.00 O ATOM 0 H SER A 102 81.027 5.102 -19.039 1.00 0.00 H new ATOM 0 HA SER A 102 81.258 5.609 -21.911 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.231 3.140 -21.797 1.00 0.00 H new ATOM 0 HB3 SER A 102 79.849 3.171 -20.719 1.00 0.00 H new ATOM 0 HG SER A 102 79.222 2.844 -22.940 1.00 0.00 H new ATOM 698 N SER A 103 79.130 6.860 -21.748 1.00 0.00 N ATOM 699 CA SER A 103 77.935 7.686 -21.607 1.00 0.00 C ATOM 700 C SER A 103 76.675 6.829 -21.711 1.00 0.00 C ATOM 701 O SER A 103 75.713 7.032 -20.973 1.00 0.00 O ATOM 702 CB SER A 103 77.913 8.765 -22.690 1.00 0.00 C ATOM 703 OG SER A 103 79.001 9.658 -22.484 1.00 0.00 O ATOM 0 H SER A 103 79.696 7.067 -22.571 1.00 0.00 H new ATOM 0 HA SER A 103 77.958 8.160 -20.626 1.00 0.00 H new ATOM 0 HB2 SER A 103 77.984 8.308 -23.677 1.00 0.00 H new ATOM 0 HB3 SER A 103 76.969 9.309 -22.658 1.00 0.00 H new ATOM 0 HG SER A 103 78.992 10.350 -23.177 1.00 0.00 H new ATOM 709 N GLY A 104 76.694 5.875 -22.637 1.00 0.00 N ATOM 710 CA GLY A 104 75.552 4.989 -22.841 1.00 0.00 C ATOM 711 C GLY A 104 74.629 5.535 -23.928 1.00 0.00 C ATOM 712 O GLY A 104 74.468 6.748 -24.064 1.00 0.00 O ATOM 0 H GLY A 104 77.484 5.696 -23.256 1.00 0.00 H new ATOM 0 HA2 GLY A 104 75.902 3.995 -23.121 1.00 0.00 H new ATOM 0 HA3 GLY A 104 74.999 4.881 -21.908 1.00 0.00 H new ATOM 716 N ASP A 105 74.023 4.634 -24.696 1.00 0.00 N ATOM 717 CA ASP A 105 73.119 5.043 -25.767 1.00 0.00 C ATOM 718 C ASP A 105 71.916 5.786 -25.192 1.00 0.00 C ATOM 719 O ASP A 105 71.511 6.827 -25.709 1.00 0.00 O ATOM 720 CB ASP A 105 72.643 3.813 -26.545 1.00 0.00 C ATOM 721 CG ASP A 105 71.791 4.237 -27.739 1.00 0.00 C ATOM 722 OD1 ASP A 105 71.532 5.422 -27.870 1.00 0.00 O ATOM 723 OD2 ASP A 105 71.408 3.369 -28.505 1.00 0.00 O ATOM 0 H ASP A 105 74.139 3.625 -24.599 1.00 0.00 H new ATOM 0 HA ASP A 105 73.656 5.711 -26.441 1.00 0.00 H new ATOM 0 HB2 ASP A 105 73.502 3.237 -26.889 1.00 0.00 H new ATOM 0 HB3 ASP A 105 72.064 3.162 -25.890 1.00 0.00 H new ATOM 728 N GLY A 106 71.354 5.246 -24.117 1.00 0.00 N ATOM 729 CA GLY A 106 70.203 5.868 -23.476 1.00 0.00 C ATOM 730 C GLY A 106 69.932 5.235 -22.116 1.00 0.00 C ATOM 731 O GLY A 106 70.384 4.125 -21.835 1.00 0.00 O ATOM 0 H GLY A 106 71.674 4.385 -23.674 1.00 0.00 H new ATOM 0 HA2 GLY A 106 70.382 6.936 -23.356 1.00 0.00 H new ATOM 0 HA3 GLY A 106 69.325 5.762 -24.113 1.00 0.00 H new ATOM 735 N GLY A 107 69.195 5.949 -21.274 1.00 0.00 N ATOM 736 CA GLY A 107 68.873 5.446 -19.943 1.00 0.00 C ATOM 737 C GLY A 107 70.044 5.649 -18.978 1.00 0.00 C ATOM 738 O GLY A 107 69.964 5.273 -17.809 1.00 0.00 O ATOM 0 H GLY A 107 68.812 6.870 -21.486 1.00 0.00 H new ATOM 0 HA2 GLY A 107 67.990 5.959 -19.561 1.00 0.00 H new ATOM 0 HA3 GLY A 107 68.626 4.386 -20.002 1.00 0.00 H new ATOM 742 N ALA A 108 71.131 6.243 -19.475 1.00 0.00 N ATOM 743 CA ALA A 108 72.305 6.484 -18.649 1.00 0.00 C ATOM 744 C ALA A 108 72.395 7.959 -18.267 1.00 0.00 C ATOM 745 O ALA A 108 73.479 8.475 -18.000 1.00 0.00 O ATOM 746 CB ALA A 108 73.566 6.073 -19.407 1.00 0.00 C ATOM 0 H ALA A 108 71.218 6.562 -20.440 1.00 0.00 H new ATOM 0 HA ALA A 108 72.218 5.889 -17.740 1.00 0.00 H new ATOM 0 HB1 ALA A 108 74.441 6.256 -18.783 1.00 0.00 H new ATOM 0 HB2 ALA A 108 73.512 5.013 -19.655 1.00 0.00 H new ATOM 0 HB3 ALA A 108 73.646 6.657 -20.324 1.00 0.00 H new ATOM 752 N ALA A 109 71.247 8.628 -18.246 1.00 0.00 N ATOM 753 CA ALA A 109 71.206 10.042 -17.899 1.00 0.00 C ATOM 754 C ALA A 109 71.739 10.260 -16.491 1.00 0.00 C ATOM 755 O ALA A 109 72.435 11.239 -16.226 1.00 0.00 O ATOM 756 CB ALA A 109 69.772 10.562 -17.989 1.00 0.00 C ATOM 0 H ALA A 109 70.339 8.217 -18.464 1.00 0.00 H new ATOM 0 HA ALA A 109 71.834 10.588 -18.603 1.00 0.00 H new ATOM 0 HB1 ALA A 109 69.752 11.620 -17.728 1.00 0.00 H new ATOM 0 HB2 ALA A 109 69.401 10.432 -19.006 1.00 0.00 H new ATOM 0 HB3 ALA A 109 69.139 10.005 -17.298 1.00 0.00 H new ATOM 762 N GLY A 110 71.405 9.349 -15.587 1.00 0.00 N ATOM 763 CA GLY A 110 71.858 9.468 -14.209 1.00 0.00 C ATOM 764 C GLY A 110 73.378 9.575 -14.145 1.00 0.00 C ATOM 765 O GLY A 110 74.090 8.629 -14.473 1.00 0.00 O ATOM 0 H GLY A 110 70.829 8.529 -15.780 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.408 10.347 -13.748 1.00 0.00 H new ATOM 0 HA3 GLY A 110 71.526 8.602 -13.636 1.00 0.00 H new ATOM 769 N ASP A 111 73.864 10.734 -13.716 1.00 0.00 N ATOM 770 CA ASP A 111 75.304 10.962 -13.601 1.00 0.00 C ATOM 771 C ASP A 111 75.571 12.352 -13.025 1.00 0.00 C ATOM 772 O ASP A 111 76.219 13.185 -13.657 1.00 0.00 O ATOM 773 CB ASP A 111 75.977 10.836 -14.974 1.00 0.00 C ATOM 774 CG ASP A 111 77.477 11.099 -14.865 1.00 0.00 C ATOM 775 OD1 ASP A 111 77.955 11.271 -13.756 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.126 11.133 -15.898 1.00 0.00 O ATOM 0 H ASP A 111 73.287 11.529 -13.442 1.00 0.00 H new ATOM 0 HA ASP A 111 75.720 10.209 -12.932 1.00 0.00 H new ATOM 0 HB2 ASP A 111 75.806 9.838 -15.378 1.00 0.00 H new ATOM 0 HB3 ASP A 111 75.528 11.544 -15.671 1.00 0.00 H new ATOM 781 N GLY A 112 75.052 12.609 -11.831 1.00 0.00 N ATOM 782 CA GLY A 112 75.235 13.907 -11.205 1.00 0.00 C ATOM 783 C GLY A 112 73.982 14.751 -11.350 1.00 0.00 C ATOM 784 O GLY A 112 73.807 15.747 -10.648 1.00 0.00 O ATOM 0 H GLY A 112 74.507 11.942 -11.284 1.00 0.00 H new ATOM 0 HA2 GLY A 112 75.473 13.777 -10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.081 14.421 -11.661 1.00 0.00 H new ATOM 788 N THR A 113 73.106 14.339 -12.258 1.00 0.00 N ATOM 789 CA THR A 113 71.871 15.058 -12.477 1.00 0.00 C ATOM 790 C THR A 113 70.693 14.272 -11.908 1.00 0.00 C ATOM 791 O THR A 113 70.663 13.984 -10.712 1.00 0.00 O ATOM 792 CB THR A 113 71.690 15.359 -13.970 1.00 0.00 C ATOM 793 OG1 THR A 113 71.627 14.137 -14.694 1.00 0.00 O ATOM 794 CG2 THR A 113 72.858 16.201 -14.488 1.00 0.00 C ATOM 0 H THR A 113 73.232 13.516 -12.847 1.00 0.00 H new ATOM 0 HA THR A 113 71.913 16.012 -11.952 1.00 0.00 H new ATOM 0 HB THR A 113 70.765 15.918 -14.109 1.00 0.00 H new ATOM 0 HG1 THR A 113 71.510 14.328 -15.648 1.00 0.00 H new ATOM 0 HG21 THR A 113 72.716 16.407 -15.549 1.00 0.00 H new ATOM 0 HG22 THR A 113 72.900 17.141 -13.938 1.00 0.00 H new ATOM 0 HG23 THR A 113 73.791 15.655 -14.346 1.00 0.00 H new ATOM 802 N VAL A 114 69.726 13.930 -12.744 1.00 0.00 N ATOM 803 CA VAL A 114 68.578 13.195 -12.274 1.00 0.00 C ATOM 804 C VAL A 114 69.019 11.859 -11.694 1.00 0.00 C ATOM 805 O VAL A 114 69.943 11.219 -12.199 1.00 0.00 O ATOM 806 CB VAL A 114 67.633 12.974 -13.446 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.224 14.322 -14.041 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.354 12.155 -14.514 1.00 0.00 C ATOM 0 H VAL A 114 69.718 14.150 -13.740 1.00 0.00 H new ATOM 0 HA VAL A 114 68.069 13.757 -11.491 1.00 0.00 H new ATOM 0 HB VAL A 114 66.743 12.446 -13.103 1.00 0.00 H new ATOM 0 HG11 VAL A 114 66.547 14.159 -14.880 1.00 0.00 H new ATOM 0 HG12 VAL A 114 66.721 14.918 -13.280 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.112 14.851 -14.388 1.00 0.00 H new ATOM 0 HG21 VAL A 114 67.686 11.990 -15.359 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.239 12.695 -14.851 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.653 11.194 -14.095 1.00 0.00 H new ATOM 818 N VAL A 115 68.366 11.459 -10.615 1.00 0.00 N ATOM 819 CA VAL A 115 68.704 10.216 -9.944 1.00 0.00 C ATOM 820 C VAL A 115 67.632 9.165 -10.193 1.00 0.00 C ATOM 821 O VAL A 115 66.439 9.421 -10.028 1.00 0.00 O ATOM 822 CB VAL A 115 68.834 10.453 -8.441 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.248 9.152 -7.751 1.00 0.00 C ATOM 824 CG2 VAL A 115 69.881 11.543 -8.176 1.00 0.00 C ATOM 0 H VAL A 115 67.599 11.977 -10.186 1.00 0.00 H new ATOM 0 HA VAL A 115 69.653 9.859 -10.344 1.00 0.00 H new ATOM 0 HB VAL A 115 67.874 10.780 -8.042 1.00 0.00 H new ATOM 0 HG11 VAL A 115 69.340 9.322 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 115 68.493 8.387 -7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.206 8.818 -8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 115 69.970 11.709 -7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 115 70.845 11.227 -8.576 1.00 0.00 H new ATOM 0 HG23 VAL A 115 69.573 12.469 -8.662 1.00 0.00 H new ATOM 834 N ASP A 116 68.073 7.981 -10.584 1.00 0.00 N ATOM 835 CA ASP A 116 67.159 6.878 -10.852 1.00 0.00 C ATOM 836 C ASP A 116 66.726 6.236 -9.545 1.00 0.00 C ATOM 837 O ASP A 116 67.293 5.244 -9.084 1.00 0.00 O ATOM 838 CB ASP A 116 67.831 5.845 -11.757 1.00 0.00 C ATOM 839 CG ASP A 116 69.126 5.341 -11.120 1.00 0.00 C ATOM 840 OD1 ASP A 116 69.464 5.809 -10.046 1.00 0.00 O ATOM 841 OD2 ASP A 116 69.763 4.491 -11.719 1.00 0.00 O ATOM 0 H ASP A 116 69.058 7.757 -10.724 1.00 0.00 H new ATOM 0 HA ASP A 116 66.277 7.263 -11.363 1.00 0.00 H new ATOM 0 HB2 ASP A 116 67.154 5.009 -11.930 1.00 0.00 H new ATOM 0 HB3 ASP A 116 68.045 6.288 -12.729 1.00 0.00 H new ATOM 846 N CYS A 117 65.713 6.825 -8.952 1.00 0.00 N ATOM 847 CA CYS A 117 65.194 6.342 -7.692 1.00 0.00 C ATOM 848 C CYS A 117 64.413 5.053 -7.915 1.00 0.00 C ATOM 849 O CYS A 117 63.647 4.967 -8.858 1.00 0.00 O ATOM 850 CB CYS A 117 64.259 7.391 -7.130 1.00 0.00 C ATOM 851 SG CYS A 117 64.352 7.386 -5.327 1.00 0.00 S ATOM 0 H CYS A 117 65.230 7.643 -9.324 1.00 0.00 H new ATOM 0 HA CYS A 117 66.016 6.149 -7.003 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.527 8.375 -7.515 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.237 7.191 -7.452 1.00 0.00 H new ATOM 856 N PRO A 118 64.555 4.053 -7.098 1.00 0.00 N ATOM 857 CA PRO A 118 63.796 2.789 -7.301 1.00 0.00 C ATOM 858 C PRO A 118 62.284 3.001 -7.380 1.00 0.00 C ATOM 859 O PRO A 118 61.558 2.123 -7.850 1.00 0.00 O ATOM 860 CB PRO A 118 64.131 1.953 -6.079 1.00 0.00 C ATOM 861 CG PRO A 118 65.413 2.500 -5.555 1.00 0.00 C ATOM 862 CD PRO A 118 65.431 3.983 -5.914 1.00 0.00 C ATOM 0 HA PRO A 118 64.071 2.324 -8.248 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.342 2.020 -5.330 1.00 0.00 H new ATOM 0 HB3 PRO A 118 64.233 0.900 -6.341 1.00 0.00 H new ATOM 0 HG2 PRO A 118 65.482 2.361 -4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.265 1.983 -5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.055 4.600 -5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.439 4.331 -6.138 1.00 0.00 H new ATOM 870 N VAL A 119 61.805 4.141 -6.895 1.00 0.00 N ATOM 871 CA VAL A 119 60.368 4.403 -6.901 1.00 0.00 C ATOM 872 C VAL A 119 59.935 5.218 -8.118 1.00 0.00 C ATOM 873 O VAL A 119 59.152 4.746 -8.944 1.00 0.00 O ATOM 874 CB VAL A 119 59.996 5.166 -5.632 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.480 5.377 -5.583 1.00 0.00 C ATOM 876 CG2 VAL A 119 60.452 4.377 -4.401 1.00 0.00 C ATOM 0 H VAL A 119 62.377 4.887 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 119 59.854 3.443 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 119 60.492 6.136 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.218 5.922 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.164 5.950 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 119 57.978 4.410 -5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.184 4.925 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 119 59.964 3.403 -4.392 1.00 0.00 H new ATOM 0 HG23 VAL A 119 61.533 4.241 -4.436 1.00 0.00 H new ATOM 886 N CYS A 120 60.438 6.446 -8.218 1.00 0.00 N ATOM 887 CA CYS A 120 60.085 7.314 -9.340 1.00 0.00 C ATOM 888 C CYS A 120 61.007 7.061 -10.527 1.00 0.00 C ATOM 889 O CYS A 120 60.619 7.234 -11.681 1.00 0.00 O ATOM 890 CB CYS A 120 60.160 8.787 -8.913 1.00 0.00 C ATOM 891 SG CYS A 120 61.795 9.157 -8.234 1.00 0.00 S ATOM 0 H CYS A 120 61.084 6.859 -7.545 1.00 0.00 H new ATOM 0 HA CYS A 120 59.063 7.086 -9.644 1.00 0.00 H new ATOM 0 HB2 CYS A 120 59.959 9.432 -9.768 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.393 8.997 -8.168 1.00 0.00 H new ATOM 896 N LYS A 121 62.227 6.636 -10.227 1.00 0.00 N ATOM 897 CA LYS A 121 63.214 6.341 -11.261 1.00 0.00 C ATOM 898 C LYS A 121 63.318 7.488 -12.259 1.00 0.00 C ATOM 899 O LYS A 121 63.706 7.293 -13.413 1.00 0.00 O ATOM 900 CB LYS A 121 62.849 5.030 -11.978 1.00 0.00 C ATOM 901 CG LYS A 121 63.758 3.886 -11.497 1.00 0.00 C ATOM 902 CD LYS A 121 62.928 2.816 -10.787 1.00 0.00 C ATOM 903 CE LYS A 121 63.773 1.554 -10.654 1.00 0.00 C ATOM 904 NZ LYS A 121 63.054 0.555 -9.816 1.00 0.00 N ATOM 0 H LYS A 121 62.559 6.487 -9.274 1.00 0.00 H new ATOM 0 HA LYS A 121 64.188 6.223 -10.786 1.00 0.00 H new ATOM 0 HB2 LYS A 121 61.806 4.780 -11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 121 62.952 5.156 -13.056 1.00 0.00 H new ATOM 0 HG2 LYS A 121 64.282 3.447 -12.346 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.518 4.276 -10.820 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.618 3.169 -9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 121 62.020 2.605 -11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 121 63.978 1.136 -11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 121 64.736 1.795 -10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 63.743 -0.079 -9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 62.505 1.048 -9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 62.411 -0.002 -10.415 1.00 0.00 H new ATOM 918 N GLN A 122 62.984 8.689 -11.800 1.00 0.00 N ATOM 919 CA GLN A 122 63.052 9.863 -12.653 1.00 0.00 C ATOM 920 C GLN A 122 62.975 11.140 -11.817 1.00 0.00 C ATOM 921 O GLN A 122 61.989 11.377 -11.118 1.00 0.00 O ATOM 922 CB GLN A 122 61.906 9.836 -13.661 1.00 0.00 C ATOM 923 CG GLN A 122 62.068 10.991 -14.647 1.00 0.00 C ATOM 924 CD GLN A 122 60.969 10.918 -15.701 1.00 0.00 C ATOM 925 OE1 GLN A 122 60.125 10.023 -15.654 1.00 0.00 O ATOM 926 NE2 GLN A 122 60.931 11.804 -16.655 1.00 0.00 N ATOM 0 H GLN A 122 62.666 8.872 -10.848 1.00 0.00 H new ATOM 0 HA GLN A 122 64.003 9.852 -13.185 1.00 0.00 H new ATOM 0 HB2 GLN A 122 61.900 8.886 -14.195 1.00 0.00 H new ATOM 0 HB3 GLN A 122 60.950 9.917 -13.143 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.018 11.943 -14.119 1.00 0.00 H new ATOM 0 HG3 GLN A 122 63.047 10.942 -15.123 1.00 0.00 H new ATOM 0 HE21 GLN A 122 61.632 12.544 -16.692 1.00 0.00 H new ATOM 0 HE22 GLN A 122 60.201 11.757 -17.366 1.00 0.00 H new ATOM 935 N GLN A 123 64.015 11.958 -11.902 1.00 0.00 N ATOM 936 CA GLN A 123 64.055 13.214 -11.160 1.00 0.00 C ATOM 937 C GLN A 123 64.261 14.387 -12.104 1.00 0.00 C ATOM 938 O GLN A 123 64.519 14.203 -13.292 1.00 0.00 O ATOM 939 CB GLN A 123 65.179 13.177 -10.119 1.00 0.00 C ATOM 940 CG GLN A 123 64.573 13.106 -8.716 1.00 0.00 C ATOM 941 CD GLN A 123 63.771 14.375 -8.446 1.00 0.00 C ATOM 942 OE1 GLN A 123 64.298 15.480 -8.580 1.00 0.00 O ATOM 943 NE2 GLN A 123 62.524 14.286 -8.079 1.00 0.00 N ATOM 0 H GLN A 123 64.840 11.777 -12.474 1.00 0.00 H new ATOM 0 HA GLN A 123 63.101 13.342 -10.649 1.00 0.00 H new ATOM 0 HB2 GLN A 123 65.822 12.314 -10.293 1.00 0.00 H new ATOM 0 HB3 GLN A 123 65.805 14.065 -10.212 1.00 0.00 H new ATOM 0 HG2 GLN A 123 63.929 12.231 -8.630 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.362 12.996 -7.972 1.00 0.00 H new ATOM 0 HE21 GLN A 123 62.089 13.370 -7.969 1.00 0.00 H new ATOM 0 HE22 GLN A 123 61.983 15.132 -7.902 1.00 0.00 H new ATOM 952 N CYS A 124 64.134 15.597 -11.571 1.00 0.00 N ATOM 953 CA CYS A 124 64.305 16.797 -12.378 1.00 0.00 C ATOM 954 C CYS A 124 65.736 17.314 -12.269 1.00 0.00 C ATOM 955 O CYS A 124 66.402 17.553 -13.276 1.00 0.00 O ATOM 956 CB CYS A 124 63.340 17.885 -11.900 1.00 0.00 C ATOM 957 SG CYS A 124 61.635 17.358 -12.202 1.00 0.00 S ATOM 0 H CYS A 124 63.915 15.772 -10.590 1.00 0.00 H new ATOM 0 HA CYS A 124 64.094 16.547 -13.418 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.489 18.077 -10.837 1.00 0.00 H new ATOM 0 HB3 CYS A 124 63.541 18.819 -12.424 1.00 0.00 H new ATOM 0 HG CYS A 124 60.816 18.282 -11.794 1.00 0.00 H new ATOM 963 N PHE A 125 66.197 17.486 -11.037 1.00 0.00 N ATOM 964 CA PHE A 125 67.547 17.976 -10.789 1.00 0.00 C ATOM 965 C PHE A 125 68.155 17.339 -9.549 1.00 0.00 C ATOM 966 O PHE A 125 67.497 16.577 -8.839 1.00 0.00 O ATOM 967 CB PHE A 125 67.535 19.490 -10.627 1.00 0.00 C ATOM 968 CG PHE A 125 66.294 19.897 -9.870 1.00 0.00 C ATOM 969 CD1 PHE A 125 66.268 19.835 -8.473 1.00 0.00 C ATOM 970 CD2 PHE A 125 65.167 20.338 -10.572 1.00 0.00 C ATOM 971 CE1 PHE A 125 65.115 20.212 -7.778 1.00 0.00 C ATOM 972 CE2 PHE A 125 64.012 20.714 -9.876 1.00 0.00 C ATOM 973 CZ PHE A 125 63.986 20.651 -8.478 1.00 0.00 C ATOM 0 H PHE A 125 65.656 17.294 -10.194 1.00 0.00 H new ATOM 0 HA PHE A 125 68.158 17.702 -11.649 1.00 0.00 H new ATOM 0 HB2 PHE A 125 68.426 19.818 -10.092 1.00 0.00 H new ATOM 0 HB3 PHE A 125 67.554 19.973 -11.604 1.00 0.00 H new ATOM 0 HD1 PHE A 125 67.139 19.496 -7.931 1.00 0.00 H new ATOM 0 HD2 PHE A 125 65.188 20.388 -11.651 1.00 0.00 H new ATOM 0 HE1 PHE A 125 65.096 20.164 -6.699 1.00 0.00 H new ATOM 0 HE2 PHE A 125 63.141 21.053 -10.418 1.00 0.00 H new ATOM 0 HZ PHE A 125 63.095 20.941 -7.940 1.00 0.00 H new ATOM 983 N SER A 126 69.423 17.652 -9.309 1.00 0.00 N ATOM 984 CA SER A 126 70.132 17.104 -8.169 1.00 0.00 C ATOM 985 C SER A 126 70.381 18.156 -7.088 1.00 0.00 C ATOM 986 O SER A 126 71.503 18.326 -6.612 1.00 0.00 O ATOM 987 CB SER A 126 71.456 16.533 -8.630 1.00 0.00 C ATOM 988 OG SER A 126 72.207 17.545 -9.290 1.00 0.00 O ATOM 0 H SER A 126 69.977 18.282 -9.890 1.00 0.00 H new ATOM 0 HA SER A 126 69.510 16.322 -7.734 1.00 0.00 H new ATOM 0 HB2 SER A 126 72.015 16.149 -7.777 1.00 0.00 H new ATOM 0 HB3 SER A 126 71.287 15.693 -9.304 1.00 0.00 H new ATOM 0 HG SER A 126 72.882 17.129 -9.865 1.00 0.00 H new ATOM 994 N LYS A 127 69.329 18.860 -6.718 1.00 0.00 N ATOM 995 CA LYS A 127 69.426 19.894 -5.690 1.00 0.00 C ATOM 996 C LYS A 127 69.215 19.315 -4.287 1.00 0.00 C ATOM 997 O LYS A 127 69.870 19.732 -3.329 1.00 0.00 O ATOM 998 CB LYS A 127 68.388 20.973 -5.960 1.00 0.00 C ATOM 999 CG LYS A 127 68.623 21.588 -7.342 1.00 0.00 C ATOM 1000 CD LYS A 127 69.937 22.370 -7.354 1.00 0.00 C ATOM 1001 CE LYS A 127 70.058 23.126 -8.677 1.00 0.00 C ATOM 1002 NZ LYS A 127 70.150 22.150 -9.800 1.00 0.00 N ATOM 0 H LYS A 127 68.395 18.740 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 127 70.429 20.320 -5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 127 67.386 20.547 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 127 68.446 21.746 -5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 127 68.651 20.803 -8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 127 67.795 22.249 -7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 127 69.966 23.069 -6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 127 70.780 21.690 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 127 69.195 23.777 -8.817 1.00 0.00 H new ATOM 0 HE3 LYS A 127 70.941 23.765 -8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 70.624 22.597 -10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 70.696 21.319 -9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 69.194 21.852 -10.080 1.00 0.00 H new ATOM 1016 N ASP A 128 68.282 18.370 -4.169 1.00 0.00 N ATOM 1017 CA ASP A 128 67.974 17.762 -2.877 1.00 0.00 C ATOM 1018 C ASP A 128 68.504 16.329 -2.783 1.00 0.00 C ATOM 1019 O ASP A 128 68.055 15.543 -1.949 1.00 0.00 O ATOM 1020 CB ASP A 128 66.462 17.777 -2.658 1.00 0.00 C ATOM 1021 CG ASP A 128 65.989 19.213 -2.461 1.00 0.00 C ATOM 1022 OD1 ASP A 128 66.826 20.059 -2.193 1.00 0.00 O ATOM 1023 OD2 ASP A 128 64.798 19.449 -2.589 1.00 0.00 O ATOM 0 H ASP A 128 67.730 18.011 -4.948 1.00 0.00 H new ATOM 0 HA ASP A 128 68.468 18.345 -2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 128 65.956 17.331 -3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 128 66.204 17.176 -1.786 1.00 0.00 H new ATOM 1028 N ILE A 129 69.452 15.991 -3.642 1.00 0.00 N ATOM 1029 CA ILE A 129 70.025 14.647 -3.638 1.00 0.00 C ATOM 1030 C ILE A 129 70.700 14.352 -2.303 1.00 0.00 C ATOM 1031 O ILE A 129 70.539 15.116 -1.350 1.00 0.00 O ATOM 1032 CB ILE A 129 71.038 14.501 -4.774 1.00 0.00 C ATOM 1033 CG1 ILE A 129 71.962 15.725 -4.792 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.288 14.382 -6.101 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.241 15.421 -5.581 1.00 0.00 C ATOM 0 H ILE A 129 69.841 16.619 -4.346 1.00 0.00 H new ATOM 0 HA ILE A 129 69.216 13.931 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 129 71.642 13.606 -4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.444 16.573 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.217 16.011 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 129 71.004 14.278 -6.916 1.00 0.00 H new ATOM 0 HG22 ILE A 129 69.638 13.507 -6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 129 69.686 15.276 -6.260 1.00 0.00 H new ATOM 0 HD11 ILE A 129 73.885 16.301 -5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 129 73.767 14.588 -5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 129 72.982 15.158 -6.607 1.00 0.00 H new ATOM 1047 N VAL A 130 71.442 13.231 -2.247 1.00 0.00 N ATOM 1048 CA VAL A 130 72.138 12.821 -1.039 1.00 0.00 C ATOM 1049 C VAL A 130 72.723 14.023 -0.329 1.00 0.00 C ATOM 1050 O VAL A 130 73.718 14.583 -0.777 1.00 0.00 O ATOM 1051 CB VAL A 130 73.269 11.857 -1.398 1.00 0.00 C ATOM 1052 CG1 VAL A 130 72.710 10.445 -1.554 1.00 0.00 C ATOM 1053 CG2 VAL A 130 73.924 12.301 -2.710 1.00 0.00 C ATOM 0 H VAL A 130 71.568 12.597 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 130 71.423 12.329 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 130 74.014 11.862 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 130 73.518 9.760 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 130 72.250 10.130 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 130 71.962 10.435 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 130 74.730 11.613 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 130 73.180 12.300 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 130 74.328 13.306 -2.593 1.00 0.00 H new ATOM 1063 N GLU A 131 72.079 14.406 0.767 1.00 0.00 N ATOM 1064 CA GLU A 131 72.501 15.551 1.562 1.00 0.00 C ATOM 1065 C GLU A 131 71.516 15.825 2.673 1.00 0.00 C ATOM 1066 O GLU A 131 71.889 16.284 3.753 1.00 0.00 O ATOM 1067 CB GLU A 131 72.566 16.802 0.701 1.00 0.00 C ATOM 1068 CG GLU A 131 74.028 17.118 0.413 1.00 0.00 C ATOM 1069 CD GLU A 131 74.172 17.828 -0.930 1.00 0.00 C ATOM 1070 OE1 GLU A 131 73.269 18.566 -1.290 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.185 17.623 -1.577 1.00 0.00 O ATOM 0 H GLU A 131 71.251 13.932 1.128 1.00 0.00 H new ATOM 0 HA GLU A 131 73.482 15.313 1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.021 16.649 -0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 131 72.092 17.639 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.433 17.746 1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.610 16.196 0.407 1.00 0.00 H new ATOM 1078 N ASN A 132 70.248 15.576 2.389 1.00 0.00 N ATOM 1079 CA ASN A 132 69.218 15.842 3.365 1.00 0.00 C ATOM 1080 C ASN A 132 69.070 14.670 4.330 1.00 0.00 C ATOM 1081 O ASN A 132 68.097 13.916 4.260 1.00 0.00 O ATOM 1082 CB ASN A 132 67.884 16.097 2.665 1.00 0.00 C ATOM 1083 CG ASN A 132 68.064 17.096 1.526 1.00 0.00 C ATOM 1084 OD1 ASN A 132 67.893 18.298 1.719 1.00 0.00 O ATOM 1085 ND2 ASN A 132 68.419 16.667 0.346 1.00 0.00 N ATOM 0 H ASN A 132 69.916 15.196 1.503 1.00 0.00 H new ATOM 0 HA ASN A 132 69.507 16.728 3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.485 15.160 2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.157 16.480 3.382 1.00 0.00 H new ATOM 0 HD21 ASN A 132 68.555 17.329 -0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.561 15.669 0.187 1.00 0.00 H new ATOM 1092 N TYR A 133 70.044 14.509 5.219 1.00 0.00 N ATOM 1093 CA TYR A 133 70.015 13.421 6.174 1.00 0.00 C ATOM 1094 C TYR A 133 68.901 13.616 7.197 1.00 0.00 C ATOM 1095 O TYR A 133 68.680 14.723 7.689 1.00 0.00 O ATOM 1096 CB TYR A 133 71.362 13.353 6.886 1.00 0.00 C ATOM 1097 CG TYR A 133 71.498 14.510 7.840 1.00 0.00 C ATOM 1098 CD1 TYR A 133 71.136 14.339 9.172 1.00 0.00 C ATOM 1099 CD2 TYR A 133 71.983 15.747 7.396 1.00 0.00 C ATOM 1100 CE1 TYR A 133 71.256 15.400 10.077 1.00 0.00 C ATOM 1101 CE2 TYR A 133 72.104 16.813 8.298 1.00 0.00 C ATOM 1102 CZ TYR A 133 71.740 16.639 9.640 1.00 0.00 C ATOM 1103 OH TYR A 133 71.860 17.685 10.530 1.00 0.00 O ATOM 0 H TYR A 133 70.858 15.119 5.294 1.00 0.00 H new ATOM 0 HA TYR A 133 69.822 12.490 5.641 1.00 0.00 H new ATOM 0 HB2 TYR A 133 71.449 12.411 7.428 1.00 0.00 H new ATOM 0 HB3 TYR A 133 72.171 13.376 6.155 1.00 0.00 H new ATOM 0 HD1 TYR A 133 70.761 13.384 9.509 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.263 15.879 6.361 1.00 0.00 H new ATOM 0 HE1 TYR A 133 70.976 15.263 11.111 1.00 0.00 H new ATOM 0 HE2 TYR A 133 72.478 17.768 7.959 1.00 0.00 H new ATOM 0 HH TYR A 133 72.212 18.472 10.064 1.00 0.00 H new ATOM 1113 N PHE A 134 68.205 12.527 7.514 1.00 0.00 N ATOM 1114 CA PHE A 134 67.120 12.583 8.478 1.00 0.00 C ATOM 1115 C PHE A 134 67.534 11.915 9.782 1.00 0.00 C ATOM 1116 O PHE A 134 68.672 11.470 9.929 1.00 0.00 O ATOM 1117 CB PHE A 134 65.887 11.893 7.901 1.00 0.00 C ATOM 1118 CG PHE A 134 64.898 12.935 7.442 1.00 0.00 C ATOM 1119 CD1 PHE A 134 64.699 13.139 6.077 1.00 0.00 C ATOM 1120 CD2 PHE A 134 64.187 13.696 8.377 1.00 0.00 C ATOM 1121 CE1 PHE A 134 63.787 14.107 5.637 1.00 0.00 C ATOM 1122 CE2 PHE A 134 63.272 14.666 7.940 1.00 0.00 C ATOM 1123 CZ PHE A 134 63.074 14.869 6.570 1.00 0.00 C ATOM 0 H PHE A 134 68.375 11.603 7.118 1.00 0.00 H new ATOM 0 HA PHE A 134 66.883 13.626 8.686 1.00 0.00 H new ATOM 0 HB2 PHE A 134 66.172 11.254 7.066 1.00 0.00 H new ATOM 0 HB3 PHE A 134 65.431 11.250 8.654 1.00 0.00 H new ATOM 0 HD1 PHE A 134 65.249 12.550 5.358 1.00 0.00 H new ATOM 0 HD2 PHE A 134 64.342 13.537 9.434 1.00 0.00 H new ATOM 0 HE1 PHE A 134 63.634 14.265 4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 134 62.722 15.254 8.659 1.00 0.00 H new ATOM 0 HZ PHE A 134 62.370 15.615 6.232 1.00 0.00 H new ATOM 1133 N MET A 135 66.606 11.846 10.730 1.00 0.00 N ATOM 1134 CA MET A 135 66.896 11.235 12.010 1.00 0.00 C ATOM 1135 C MET A 135 67.252 9.768 11.824 1.00 0.00 C ATOM 1136 O MET A 135 66.772 9.115 10.897 1.00 0.00 O ATOM 1137 CB MET A 135 65.687 11.358 12.933 1.00 0.00 C ATOM 1138 CG MET A 135 65.499 12.818 13.344 1.00 0.00 C ATOM 1139 SD MET A 135 64.032 12.955 14.391 1.00 0.00 S ATOM 1140 CE MET A 135 64.717 12.105 15.835 1.00 0.00 C ATOM 0 H MET A 135 65.656 12.204 10.633 1.00 0.00 H new ATOM 0 HA MET A 135 67.744 11.752 12.459 1.00 0.00 H new ATOM 0 HB2 MET A 135 64.793 10.995 12.427 1.00 0.00 H new ATOM 0 HB3 MET A 135 65.828 10.736 13.817 1.00 0.00 H new ATOM 0 HG2 MET A 135 66.378 13.173 13.881 1.00 0.00 H new ATOM 0 HG3 MET A 135 65.390 13.446 12.460 1.00 0.00 H new ATOM 0 HE1 MET A 135 64.233 12.476 16.739 1.00 0.00 H new ATOM 0 HE2 MET A 135 64.542 11.033 15.743 1.00 0.00 H new ATOM 0 HE3 MET A 135 65.789 12.294 15.894 1.00 0.00 H new ATOM 1150 N ARG A 136 68.100 9.260 12.705 1.00 0.00 N ATOM 1151 CA ARG A 136 68.522 7.867 12.625 1.00 0.00 C ATOM 1152 C ARG A 136 67.448 6.959 13.203 1.00 0.00 C ATOM 1153 O ARG A 136 67.695 6.217 14.153 1.00 0.00 O ATOM 1154 CB ARG A 136 69.821 7.673 13.407 1.00 0.00 C ATOM 1155 CG ARG A 136 70.916 8.576 12.837 1.00 0.00 C ATOM 1156 CD ARG A 136 71.366 8.041 11.479 1.00 0.00 C ATOM 1157 NE ARG A 136 72.492 8.823 10.977 1.00 0.00 N ATOM 1158 CZ ARG A 136 72.318 9.982 10.338 1.00 0.00 C ATOM 1159 NH1 ARG A 136 71.118 10.471 10.147 1.00 0.00 N ATOM 1160 NH2 ARG A 136 73.359 10.634 9.901 1.00 0.00 N ATOM 0 H ARG A 136 68.508 9.785 13.478 1.00 0.00 H new ATOM 0 HA ARG A 136 68.684 7.611 11.578 1.00 0.00 H new ATOM 0 HB2 ARG A 136 69.659 7.904 14.460 1.00 0.00 H new ATOM 0 HB3 ARG A 136 70.134 6.630 13.354 1.00 0.00 H new ATOM 0 HG2 ARG A 136 70.543 9.595 12.732 1.00 0.00 H new ATOM 0 HG3 ARG A 136 71.763 8.615 13.522 1.00 0.00 H new ATOM 0 HD2 ARG A 136 71.653 6.993 11.570 1.00 0.00 H new ATOM 0 HD3 ARG A 136 70.539 8.085 10.770 1.00 0.00 H new ATOM 0 HE ARG A 136 73.440 8.473 11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 136 70.301 9.965 10.488 1.00 0.00 H new ATOM 0 HH12 ARG A 136 71.001 11.358 9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 136 74.295 10.258 10.049 1.00 0.00 H new ATOM 0 HH22 ARG A 136 73.237 11.520 9.411 1.00 0.00 H new ATOM 1174 N ASP A 137 66.257 7.018 12.620 1.00 0.00 N ATOM 1175 CA ASP A 137 65.157 6.192 13.087 1.00 0.00 C ATOM 1176 C ASP A 137 65.499 4.718 12.929 1.00 0.00 C ATOM 1177 O ASP A 137 65.715 4.231 11.819 1.00 0.00 O ATOM 1178 CB ASP A 137 63.900 6.520 12.291 1.00 0.00 C ATOM 1179 CG ASP A 137 63.330 7.859 12.746 1.00 0.00 C ATOM 1180 OD1 ASP A 137 63.777 8.356 13.768 1.00 0.00 O ATOM 1181 OD2 ASP A 137 62.455 8.368 12.068 1.00 0.00 O ATOM 0 H ASP A 137 66.032 7.624 11.831 1.00 0.00 H new ATOM 0 HA ASP A 137 64.982 6.398 14.143 1.00 0.00 H new ATOM 0 HB2 ASP A 137 64.133 6.557 11.227 1.00 0.00 H new ATOM 0 HB3 ASP A 137 63.157 5.734 12.428 1.00 0.00 H new ATOM 1186 N SER A 138 65.558 4.014 14.051 1.00 0.00 N ATOM 1187 CA SER A 138 65.888 2.600 14.038 1.00 0.00 C ATOM 1188 C SER A 138 65.545 1.954 15.377 1.00 0.00 C ATOM 1189 O SER A 138 65.171 2.636 16.329 1.00 0.00 O ATOM 1190 CB SER A 138 67.360 2.428 13.704 1.00 0.00 C ATOM 1191 OG SER A 138 68.145 3.068 14.697 1.00 0.00 O ATOM 0 H SER A 138 65.382 4.400 14.979 1.00 0.00 H new ATOM 0 HA SER A 138 65.295 2.098 13.273 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.611 1.369 13.653 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.574 2.854 12.724 1.00 0.00 H new ATOM 0 HG SER A 138 68.065 4.040 14.601 1.00 0.00 H new ATOM 1197 N GLY A 139 65.668 0.634 15.438 1.00 0.00 N ATOM 1198 CA GLY A 139 65.357 -0.102 16.659 1.00 0.00 C ATOM 1199 C GLY A 139 66.205 0.394 17.825 1.00 0.00 C ATOM 1200 O GLY A 139 65.746 0.426 18.966 1.00 0.00 O ATOM 0 H GLY A 139 65.980 0.052 14.660 1.00 0.00 H new ATOM 0 HA2 GLY A 139 64.300 0.013 16.898 1.00 0.00 H new ATOM 0 HA3 GLY A 139 65.534 -1.166 16.502 1.00 0.00 H new ATOM 1204 N SER A 140 67.441 0.776 17.532 1.00 0.00 N ATOM 1205 CA SER A 140 68.340 1.263 18.570 1.00 0.00 C ATOM 1206 C SER A 140 67.761 2.500 19.239 1.00 0.00 C ATOM 1207 O SER A 140 67.869 2.673 20.453 1.00 0.00 O ATOM 1208 CB SER A 140 69.701 1.606 17.966 1.00 0.00 C ATOM 1209 OG SER A 140 70.303 0.422 17.461 1.00 0.00 O ATOM 0 H SER A 140 67.841 0.759 16.594 1.00 0.00 H new ATOM 0 HA SER A 140 68.460 0.477 19.316 1.00 0.00 H new ATOM 0 HB2 SER A 140 69.583 2.337 17.166 1.00 0.00 H new ATOM 0 HB3 SER A 140 70.343 2.060 18.721 1.00 0.00 H new ATOM 0 HG SER A 140 71.274 0.544 17.413 1.00 0.00 H new ATOM 1215 N LYS A 141 67.147 3.354 18.439 1.00 0.00 N ATOM 1216 CA LYS A 141 66.547 4.580 18.960 1.00 0.00 C ATOM 1217 C LYS A 141 65.169 4.293 19.549 1.00 0.00 C ATOM 1218 O LYS A 141 64.396 3.513 18.996 1.00 0.00 O ATOM 1219 CB LYS A 141 66.425 5.619 17.841 1.00 0.00 C ATOM 1220 CG LYS A 141 67.812 5.931 17.263 1.00 0.00 C ATOM 1221 CD LYS A 141 68.688 6.600 18.327 1.00 0.00 C ATOM 1222 CE LYS A 141 69.997 7.076 17.689 1.00 0.00 C ATOM 1223 NZ LYS A 141 70.823 5.898 17.296 1.00 0.00 N ATOM 0 H LYS A 141 67.048 3.227 17.432 1.00 0.00 H new ATOM 0 HA LYS A 141 67.190 4.972 19.748 1.00 0.00 H new ATOM 0 HB2 LYS A 141 65.770 5.244 17.055 1.00 0.00 H new ATOM 0 HB3 LYS A 141 65.969 6.531 18.228 1.00 0.00 H new ATOM 0 HG2 LYS A 141 68.285 5.012 16.917 1.00 0.00 H new ATOM 0 HG3 LYS A 141 67.715 6.586 16.397 1.00 0.00 H new ATOM 0 HD2 LYS A 141 68.159 7.444 18.770 1.00 0.00 H new ATOM 0 HD3 LYS A 141 68.899 5.898 19.133 1.00 0.00 H new ATOM 0 HE2 LYS A 141 69.784 7.691 16.814 1.00 0.00 H new ATOM 0 HE3 LYS A 141 70.549 7.701 18.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 71.774 6.217 17.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 70.896 5.242 18.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 70.376 5.413 16.492 1.00 0.00 H new ATOM 1237 N ALA A 142 64.874 4.930 20.679 1.00 0.00 N ATOM 1238 CA ALA A 142 63.592 4.737 21.344 1.00 0.00 C ATOM 1239 C ALA A 142 63.282 5.912 22.264 1.00 0.00 C ATOM 1240 O ALA A 142 64.164 6.703 22.597 1.00 0.00 O ATOM 1241 CB ALA A 142 63.611 3.439 22.154 1.00 0.00 C ATOM 0 H ALA A 142 65.503 5.581 21.150 1.00 0.00 H new ATOM 0 HA ALA A 142 62.816 4.675 20.581 1.00 0.00 H new ATOM 0 HB1 ALA A 142 62.648 3.304 22.647 1.00 0.00 H new ATOM 0 HB2 ALA A 142 63.799 2.597 21.488 1.00 0.00 H new ATOM 0 HB3 ALA A 142 64.399 3.490 22.905 1.00 0.00 H new ATOM 1247 N ALA A 143 62.021 6.020 22.672 1.00 0.00 N ATOM 1248 CA ALA A 143 61.604 7.102 23.557 1.00 0.00 C ATOM 1249 C ALA A 143 62.373 7.039 24.871 1.00 0.00 C ATOM 1250 O ALA A 143 62.769 8.067 25.421 1.00 0.00 O ATOM 1251 CB ALA A 143 60.103 7.000 23.831 1.00 0.00 C ATOM 0 H ALA A 143 61.275 5.377 22.406 1.00 0.00 H new ATOM 0 HA ALA A 143 61.818 8.053 23.070 1.00 0.00 H new ATOM 0 HB1 ALA A 143 59.798 7.811 24.493 1.00 0.00 H new ATOM 0 HB2 ALA A 143 59.556 7.073 22.891 1.00 0.00 H new ATOM 0 HB3 ALA A 143 59.884 6.043 24.305 1.00 0.00 H new ATOM 1257 N THR A 144 62.579 5.825 25.373 1.00 0.00 N ATOM 1258 CA THR A 144 63.303 5.640 26.624 1.00 0.00 C ATOM 1259 C THR A 144 62.625 6.408 27.753 1.00 0.00 C ATOM 1260 O THR A 144 63.286 6.896 28.668 1.00 0.00 O ATOM 1261 CB THR A 144 64.746 6.127 26.469 1.00 0.00 C ATOM 1262 OG1 THR A 144 65.121 6.065 25.100 1.00 0.00 O ATOM 1263 CG2 THR A 144 65.678 5.239 27.295 1.00 0.00 C ATOM 0 H THR A 144 62.257 4.961 24.936 1.00 0.00 H new ATOM 0 HA THR A 144 63.302 4.578 26.869 1.00 0.00 H new ATOM 0 HB THR A 144 64.822 7.156 26.821 1.00 0.00 H new ATOM 0 HG1 THR A 144 66.044 6.378 24.999 1.00 0.00 H new ATOM 0 HG21 THR A 144 66.705 5.587 27.184 1.00 0.00 H new ATOM 0 HG22 THR A 144 65.390 5.287 28.345 1.00 0.00 H new ATOM 0 HG23 THR A 144 65.604 4.209 26.945 1.00 0.00 H new ATOM 1271 N ASP A 145 61.302 6.508 27.679 1.00 0.00 N ATOM 1272 CA ASP A 145 60.544 7.221 28.702 1.00 0.00 C ATOM 1273 C ASP A 145 59.983 6.243 29.728 1.00 0.00 C ATOM 1274 O ASP A 145 60.710 5.893 30.643 1.00 0.00 O ATOM 1275 CB ASP A 145 59.397 7.998 28.054 1.00 0.00 C ATOM 1276 CG ASP A 145 58.764 8.938 29.073 1.00 0.00 C ATOM 1277 OD1 ASP A 145 59.120 8.844 30.236 1.00 0.00 O ATOM 1278 OD2 ASP A 145 57.932 9.736 28.676 1.00 0.00 O ATOM 1279 OXT ASP A 145 58.835 5.858 29.583 1.00 0.00 O ATOM 0 H ASP A 145 60.737 6.109 26.930 1.00 0.00 H new ATOM 0 HA ASP A 145 61.214 7.917 29.207 1.00 0.00 H new ATOM 0 HB2 ASP A 145 59.768 8.568 27.202 1.00 0.00 H new ATOM 0 HB3 ASP A 145 58.648 7.305 27.671 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 62.306 8.331 -6.063 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.424 0.550 1.225 1.00 0.00 ZN