USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 CYS SG : rot -160:sc= 1.56 USER MOD Set 1.2: A 118 CYS SG : rot 112:sc= -4.43! USER MOD Set 1.3: A 137 CYS SG : rot 143:sc= -3.3! USER MOD Set 2.1: A 92 GLN :FLIP amide:sc= -0.648 F(o=-2!,f=-0.45) USER MOD Set 2.2: A 93 SER OG : rot 180:sc= 0.201 USER MOD Set 3.1: A 87 CYS SG : rot -158:sc= -0.0352 USER MOD Set 3.2: A 90 CYS SG : rot -51:sc= 0.323! USER MOD Set 3.3: A 109 HIS : no HD1:sc= 0.418 K(o=-9.2,f=-11) USER MOD Set 3.4: A 112 CYS SG : rot 148:sc= -9.91! USER MOD Set 4.1: A 88 SER OG : rot 87:sc= 0.998 USER MOD Set 4.2: A 106 ASN : amide:sc= 0.0436 K(o=1,f=-3.3!) USER MOD Set 4.3: A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc=-0.00117 X(o=-0.0012,f=-0.0012) USER MOD Single : A 84 SER OG : rot -69:sc= 0.494 USER MOD Single : A 97 SER OG : rot 90:sc= 1.27 USER MOD Single : A 101 MET CE :methyl -131:sc= -0.33 (180deg=-3.62!) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 164:sc= 1.27 USER MOD Single : A 120 ASN :FLIP amide:sc= -0.357 F(o=-4.3!,f=-0.36) USER MOD Single : A 129 HIS : no HD1:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 130 TYR OH : rot 144:sc= 0.876 USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 77:sc= 1.26 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 THR OG1 : rot 82:sc= 0.197 USER MOD Single : A 208 SER OG : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot 140:sc= -0.0744 USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -15.826 7.225 -4.151 1.00 0.00 N ATOM 62 CA ARG A 79 -14.800 6.301 -4.636 1.00 0.00 C ATOM 63 C ARG A 79 -14.711 5.096 -3.710 1.00 0.00 C ATOM 64 O ARG A 79 -13.740 4.344 -3.734 1.00 0.00 O ATOM 65 CB ARG A 79 -13.443 7.006 -4.721 1.00 0.00 C ATOM 66 CG ARG A 79 -12.538 6.463 -5.819 1.00 0.00 C ATOM 67 CD ARG A 79 -11.412 7.432 -6.151 1.00 0.00 C ATOM 68 NE ARG A 79 -10.089 6.836 -5.952 1.00 0.00 N ATOM 69 CZ ARG A 79 -8.950 7.534 -5.971 1.00 0.00 C ATOM 70 NH1 ARG A 79 -8.969 8.847 -6.188 1.00 0.00 N ATOM 71 NH2 ARG A 79 -7.790 6.916 -5.781 1.00 0.00 N ATOM 0 HA ARG A 79 -15.075 5.962 -5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.607 8.070 -4.891 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.933 6.911 -3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.116 5.509 -5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.128 6.270 -6.715 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.509 7.758 -7.187 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.505 8.321 -5.527 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.034 5.831 -5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.857 9.326 -6.341 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.096 9.374 -6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.769 5.909 -5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.920 7.448 -5.795 1.00 0.00 H new ATOM 85 N LEU A 80 -15.735 4.940 -2.888 1.00 0.00 N ATOM 86 CA LEU A 80 -15.802 3.860 -1.917 1.00 0.00 C ATOM 87 C LEU A 80 -17.240 3.405 -1.748 1.00 0.00 C ATOM 88 O LEU A 80 -17.560 2.679 -0.811 1.00 0.00 O ATOM 89 CB LEU A 80 -15.248 4.323 -0.559 1.00 0.00 C ATOM 90 CG LEU A 80 -15.019 5.834 -0.419 1.00 0.00 C ATOM 91 CD1 LEU A 80 -16.331 6.565 -0.172 1.00 0.00 C ATOM 92 CD2 LEU A 80 -14.036 6.122 0.705 1.00 0.00 C ATOM 0 H LEU A 80 -16.545 5.560 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.198 3.029 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -15.937 4.004 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.302 3.812 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.597 6.198 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -16.140 7.634 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -17.008 6.391 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -16.787 6.195 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.886 7.198 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.433 5.736 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -13.083 5.638 0.488 1.00 0.00 H new ATOM 104 N PHE A 81 -18.095 3.826 -2.685 1.00 0.00 N ATOM 105 CA PHE A 81 -19.530 3.635 -2.579 1.00 0.00 C ATOM 106 C PHE A 81 -20.018 4.101 -1.211 1.00 0.00 C ATOM 107 O PHE A 81 -20.037 5.302 -0.937 1.00 0.00 O ATOM 108 CB PHE A 81 -19.892 2.171 -2.835 1.00 0.00 C ATOM 109 CG PHE A 81 -20.177 1.876 -4.276 1.00 0.00 C ATOM 110 CD1 PHE A 81 -19.142 1.678 -5.176 1.00 0.00 C ATOM 111 CD2 PHE A 81 -21.483 1.801 -4.734 1.00 0.00 C ATOM 112 CE1 PHE A 81 -19.406 1.413 -6.506 1.00 0.00 C ATOM 113 CE2 PHE A 81 -21.752 1.537 -6.062 1.00 0.00 C ATOM 114 CZ PHE A 81 -20.712 1.342 -6.949 1.00 0.00 C ATOM 0 H PHE A 81 -17.804 4.308 -3.535 1.00 0.00 H new ATOM 0 HA PHE A 81 -20.030 4.236 -3.338 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -19.073 1.537 -2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -20.766 1.910 -2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -18.119 1.731 -4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -22.300 1.951 -4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -18.591 1.261 -7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -22.774 1.483 -6.407 1.00 0.00 H new ATOM 0 HZ PHE A 81 -20.920 1.134 -7.988 1.00 0.00 H new ATOM 124 N GLY A 82 -20.396 3.162 -0.355 1.00 0.00 N ATOM 125 CA GLY A 82 -20.712 3.504 1.016 1.00 0.00 C ATOM 126 C GLY A 82 -19.453 3.820 1.792 1.00 0.00 C ATOM 127 O GLY A 82 -18.678 2.920 2.098 1.00 0.00 O ATOM 0 H GLY A 82 -20.489 2.173 -0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -21.383 4.363 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -21.239 2.676 1.490 1.00 0.00 H new ATOM 131 N ASN A 83 -19.246 5.103 2.075 1.00 0.00 N ATOM 132 CA ASN A 83 -18.036 5.582 2.749 1.00 0.00 C ATOM 133 C ASN A 83 -17.693 4.729 3.977 1.00 0.00 C ATOM 134 O ASN A 83 -18.454 4.682 4.946 1.00 0.00 O ATOM 135 CB ASN A 83 -18.208 7.057 3.146 1.00 0.00 C ATOM 136 CG ASN A 83 -17.404 7.453 4.376 1.00 0.00 C ATOM 137 OD1 ASN A 83 -17.955 7.602 5.468 1.00 0.00 O ATOM 138 ND2 ASN A 83 -16.105 7.635 4.207 1.00 0.00 N ATOM 0 H ASN A 83 -19.910 5.842 1.845 1.00 0.00 H new ATOM 0 HA ASN A 83 -17.204 5.493 2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -17.910 7.687 2.308 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -19.264 7.254 3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -15.521 7.909 4.997 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.687 7.502 3.286 1.00 0.00 H new ATOM 145 N SER A 84 -16.563 4.025 3.903 1.00 0.00 N ATOM 146 CA SER A 84 -16.067 3.234 5.025 1.00 0.00 C ATOM 147 C SER A 84 -14.592 2.884 4.825 1.00 0.00 C ATOM 148 O SER A 84 -13.719 3.454 5.480 1.00 0.00 O ATOM 149 CB SER A 84 -16.895 1.960 5.189 1.00 0.00 C ATOM 150 OG SER A 84 -17.464 1.562 3.954 1.00 0.00 O ATOM 0 H SER A 84 -15.973 3.988 3.072 1.00 0.00 H new ATOM 0 HA SER A 84 -16.162 3.830 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.265 1.160 5.578 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.685 2.127 5.921 1.00 0.00 H new ATOM 0 HG SER A 84 -18.151 2.208 3.687 1.00 0.00 H new ATOM 156 N GLY A 85 -14.320 1.953 3.914 1.00 0.00 N ATOM 157 CA GLY A 85 -12.951 1.553 3.652 1.00 0.00 C ATOM 158 C GLY A 85 -12.646 1.414 2.172 1.00 0.00 C ATOM 159 O GLY A 85 -13.358 0.715 1.446 1.00 0.00 O ATOM 0 H GLY A 85 -15.023 1.470 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.274 2.287 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.755 0.603 4.148 1.00 0.00 H new ATOM 163 N ALA A 86 -11.590 2.085 1.729 1.00 0.00 N ATOM 164 CA ALA A 86 -11.139 2.015 0.341 1.00 0.00 C ATOM 165 C ALA A 86 -9.627 2.194 0.274 1.00 0.00 C ATOM 166 O ALA A 86 -9.013 2.633 1.246 1.00 0.00 O ATOM 167 CB ALA A 86 -11.834 3.075 -0.500 1.00 0.00 C ATOM 0 H ALA A 86 -11.022 2.693 2.319 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.397 1.035 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.486 3.008 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.912 2.914 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.603 4.064 -0.103 1.00 0.00 H new ATOM 173 N CYS A 87 -9.038 1.858 -0.866 1.00 0.00 N ATOM 174 CA CYS A 87 -7.601 1.978 -1.045 1.00 0.00 C ATOM 175 C CYS A 87 -7.301 3.195 -1.908 1.00 0.00 C ATOM 176 O CYS A 87 -8.013 3.478 -2.877 1.00 0.00 O ATOM 177 CB CYS A 87 -7.036 0.678 -1.640 1.00 0.00 C ATOM 178 SG CYS A 87 -5.686 0.854 -2.860 1.00 0.00 S ATOM 0 H CYS A 87 -9.536 1.500 -1.681 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.110 2.127 -0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.675 0.057 -0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.855 0.136 -2.114 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.625 -0.215 -3.597 1.00 0.00 H new ATOM 183 N SER A 88 -6.260 3.917 -1.536 1.00 0.00 N ATOM 184 CA SER A 88 -5.962 5.201 -2.139 1.00 0.00 C ATOM 185 C SER A 88 -5.293 5.051 -3.501 1.00 0.00 C ATOM 186 O SER A 88 -5.318 5.978 -4.315 1.00 0.00 O ATOM 187 CB SER A 88 -5.063 6.002 -1.199 1.00 0.00 C ATOM 188 OG SER A 88 -4.576 5.181 -0.150 1.00 0.00 O ATOM 0 H SER A 88 -5.601 3.631 -0.812 1.00 0.00 H new ATOM 0 HA SER A 88 -6.903 5.728 -2.297 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.226 6.421 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.620 6.841 -0.782 1.00 0.00 H new ATOM 0 HG SER A 88 -3.751 4.737 -0.438 1.00 0.00 H new ATOM 194 N ALA A 89 -4.716 3.888 -3.763 1.00 0.00 N ATOM 195 CA ALA A 89 -3.947 3.692 -4.980 1.00 0.00 C ATOM 196 C ALA A 89 -4.855 3.479 -6.185 1.00 0.00 C ATOM 197 O ALA A 89 -4.627 4.057 -7.251 1.00 0.00 O ATOM 198 CB ALA A 89 -2.988 2.530 -4.817 1.00 0.00 C ATOM 0 H ALA A 89 -4.765 3.072 -3.153 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.369 4.598 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.419 2.396 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.304 2.736 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.551 1.621 -4.602 1.00 0.00 H new ATOM 204 N CYS A 90 -5.892 2.668 -6.022 1.00 0.00 N ATOM 205 CA CYS A 90 -6.817 2.421 -7.114 1.00 0.00 C ATOM 206 C CYS A 90 -8.106 3.209 -6.906 1.00 0.00 C ATOM 207 O CYS A 90 -8.426 4.121 -7.671 1.00 0.00 O ATOM 208 CB CYS A 90 -7.106 0.920 -7.259 1.00 0.00 C ATOM 209 SG CYS A 90 -7.840 0.129 -5.787 1.00 0.00 S ATOM 0 H CYS A 90 -6.110 2.177 -5.155 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.354 2.760 -8.041 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.779 0.775 -8.104 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -6.175 0.408 -7.502 1.00 0.00 H new ATOM 0 HG CYS A 90 -7.132 0.424 -4.737 1.00 0.00 H new ATOM 214 N GLY A 91 -8.827 2.871 -5.853 1.00 0.00 N ATOM 215 CA GLY A 91 -10.069 3.543 -5.558 1.00 0.00 C ATOM 216 C GLY A 91 -11.242 2.592 -5.595 1.00 0.00 C ATOM 217 O GLY A 91 -12.271 2.886 -6.201 1.00 0.00 O ATOM 0 H GLY A 91 -8.571 2.137 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.007 4.006 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.228 4.346 -6.278 1.00 0.00 H new ATOM 221 N GLN A 92 -11.069 1.439 -4.969 1.00 0.00 N ATOM 222 CA GLN A 92 -12.115 0.438 -4.909 1.00 0.00 C ATOM 223 C GLN A 92 -12.430 0.091 -3.461 1.00 0.00 C ATOM 224 O GLN A 92 -11.547 0.102 -2.602 1.00 0.00 O ATOM 225 CB GLN A 92 -11.683 -0.816 -5.673 1.00 0.00 C ATOM 226 CG GLN A 92 -12.735 -1.364 -6.633 1.00 0.00 C ATOM 227 CD GLN A 92 -14.034 -0.572 -6.641 1.00 0.00 C ATOM 228 OE1 GLN A 92 -14.967 -0.958 -5.783 1.00 0.00 O flip ATOM 229 NE2 GLN A 92 -14.201 0.373 -7.414 1.00 0.00 N flip ATOM 0 H GLN A 92 -10.207 1.175 -4.493 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.015 0.841 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.778 -0.589 -6.236 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.425 -1.594 -4.954 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.322 -1.375 -7.642 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.953 -2.398 -6.366 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.459 0.640 -8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.082 0.888 -7.407 1.00 0.00 H new ATOM 238 N SER A 93 -13.698 -0.187 -3.199 1.00 0.00 N ATOM 239 CA SER A 93 -14.148 -0.602 -1.887 1.00 0.00 C ATOM 240 C SER A 93 -13.601 -1.986 -1.543 1.00 0.00 C ATOM 241 O SER A 93 -13.485 -2.852 -2.418 1.00 0.00 O ATOM 242 CB SER A 93 -15.672 -0.610 -1.873 1.00 0.00 C ATOM 243 OG SER A 93 -16.182 -0.285 -3.159 1.00 0.00 O ATOM 0 H SER A 93 -14.442 -0.130 -3.894 1.00 0.00 H new ATOM 0 HA SER A 93 -13.778 0.096 -1.136 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.034 -1.592 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.039 0.106 -1.138 1.00 0.00 H new ATOM 0 HG SER A 93 -17.162 -0.296 -3.135 1.00 0.00 H new ATOM 249 N ILE A 94 -13.255 -2.188 -0.279 1.00 0.00 N ATOM 250 CA ILE A 94 -12.681 -3.456 0.164 1.00 0.00 C ATOM 251 C ILE A 94 -13.633 -4.216 1.086 1.00 0.00 C ATOM 252 O ILE A 94 -13.781 -3.869 2.259 1.00 0.00 O ATOM 253 CB ILE A 94 -11.338 -3.246 0.897 1.00 0.00 C ATOM 254 CG1 ILE A 94 -10.424 -2.336 0.078 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.652 -4.581 1.162 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.724 -1.283 0.905 1.00 0.00 C ATOM 0 H ILE A 94 -13.361 -1.492 0.459 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.511 -4.045 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.543 -2.769 1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.676 -2.946 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.013 -1.846 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.708 -4.409 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.297 -5.205 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.460 -5.086 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.092 -0.674 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.466 -0.649 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.108 -1.766 1.664 1.00 0.00 H new ATOM 268 N PRO A 95 -14.322 -5.237 0.558 1.00 0.00 N ATOM 269 CA PRO A 95 -15.157 -6.135 1.352 1.00 0.00 C ATOM 270 C PRO A 95 -14.315 -7.158 2.111 1.00 0.00 C ATOM 271 O PRO A 95 -13.125 -7.314 1.845 1.00 0.00 O ATOM 272 CB PRO A 95 -16.051 -6.832 0.311 1.00 0.00 C ATOM 273 CG PRO A 95 -15.759 -6.153 -0.990 1.00 0.00 C ATOM 274 CD PRO A 95 -14.370 -5.598 -0.860 1.00 0.00 C ATOM 0 HA PRO A 95 -15.727 -5.601 2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.830 -7.898 0.255 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -17.105 -6.739 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.823 -6.856 -1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.480 -5.360 -1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.610 -6.334 -1.120 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -14.213 -4.735 -1.507 1.00 0.00 H new ATOM 282 N ALA A 96 -14.939 -7.869 3.043 1.00 0.00 N ATOM 283 CA ALA A 96 -14.221 -8.819 3.897 1.00 0.00 C ATOM 284 C ALA A 96 -13.821 -10.091 3.139 1.00 0.00 C ATOM 285 O ALA A 96 -13.291 -11.034 3.728 1.00 0.00 O ATOM 286 CB ALA A 96 -15.060 -9.172 5.118 1.00 0.00 C ATOM 0 H ALA A 96 -15.940 -7.809 3.230 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.301 -8.332 4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.514 -9.878 5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -15.269 -8.268 5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.999 -9.623 4.796 1.00 0.00 H new ATOM 292 N SER A 97 -14.086 -10.120 1.841 1.00 0.00 N ATOM 293 CA SER A 97 -13.711 -11.249 1.002 1.00 0.00 C ATOM 294 C SER A 97 -12.390 -10.962 0.299 1.00 0.00 C ATOM 295 O SER A 97 -11.704 -11.874 -0.176 1.00 0.00 O ATOM 296 CB SER A 97 -14.808 -11.505 -0.029 1.00 0.00 C ATOM 297 OG SER A 97 -15.549 -10.319 -0.277 1.00 0.00 O ATOM 0 H SER A 97 -14.563 -9.368 1.343 1.00 0.00 H new ATOM 0 HA SER A 97 -13.590 -12.135 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.365 -11.864 -0.958 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.475 -12.289 0.329 1.00 0.00 H new ATOM 0 HG SER A 97 -15.134 -9.821 -1.012 1.00 0.00 H new ATOM 303 N GLU A 98 -12.040 -9.687 0.265 1.00 0.00 N ATOM 304 CA GLU A 98 -10.875 -9.221 -0.461 1.00 0.00 C ATOM 305 C GLU A 98 -9.729 -8.937 0.503 1.00 0.00 C ATOM 306 O GLU A 98 -9.952 -8.644 1.677 1.00 0.00 O ATOM 307 CB GLU A 98 -11.233 -7.964 -1.262 1.00 0.00 C ATOM 308 CG GLU A 98 -11.803 -8.259 -2.648 1.00 0.00 C ATOM 309 CD GLU A 98 -13.256 -8.716 -2.629 1.00 0.00 C ATOM 310 OE1 GLU A 98 -13.887 -8.705 -1.550 1.00 0.00 O ATOM 311 OE2 GLU A 98 -13.773 -9.093 -3.703 1.00 0.00 O ATOM 0 H GLU A 98 -12.557 -8.947 0.741 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.551 -9.998 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.959 -7.379 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.341 -7.347 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.722 -7.363 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.196 -9.029 -3.124 1.00 0.00 H new ATOM 318 N LEU A 99 -8.505 -9.040 0.008 1.00 0.00 N ATOM 319 CA LEU A 99 -7.329 -8.863 0.848 1.00 0.00 C ATOM 320 C LEU A 99 -6.610 -7.568 0.509 1.00 0.00 C ATOM 321 O LEU A 99 -6.546 -7.163 -0.655 1.00 0.00 O ATOM 322 CB LEU A 99 -6.386 -10.056 0.681 1.00 0.00 C ATOM 323 CG LEU A 99 -6.206 -10.925 1.932 1.00 0.00 C ATOM 324 CD1 LEU A 99 -7.553 -11.354 2.499 1.00 0.00 C ATOM 325 CD2 LEU A 99 -5.348 -12.140 1.615 1.00 0.00 C ATOM 0 H LEU A 99 -8.300 -9.245 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.651 -8.807 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.760 -10.684 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.409 -9.686 0.371 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.698 -10.328 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.396 -11.969 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.132 -10.471 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.096 -11.930 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.230 -12.746 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.830 -12.733 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.368 -11.813 1.267 1.00 0.00 H new ATOM 337 N VAL A 100 -6.069 -6.923 1.530 1.00 0.00 N ATOM 338 CA VAL A 100 -5.362 -5.668 1.353 1.00 0.00 C ATOM 339 C VAL A 100 -3.992 -5.721 2.017 1.00 0.00 C ATOM 340 O VAL A 100 -3.736 -6.573 2.869 1.00 0.00 O ATOM 341 CB VAL A 100 -6.150 -4.475 1.934 1.00 0.00 C ATOM 342 CG1 VAL A 100 -7.010 -3.830 0.864 1.00 0.00 C ATOM 343 CG2 VAL A 100 -7.004 -4.903 3.116 1.00 0.00 C ATOM 0 H VAL A 100 -6.107 -7.252 2.495 1.00 0.00 H new ATOM 0 HA VAL A 100 -5.249 -5.523 0.279 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.428 -3.740 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.557 -2.991 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.375 -3.472 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.717 -4.563 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.547 -4.041 3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.714 -5.665 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.364 -5.311 3.899 1.00 0.00 H new ATOM 353 N MET A 101 -3.124 -4.807 1.627 1.00 0.00 N ATOM 354 CA MET A 101 -1.780 -4.736 2.175 1.00 0.00 C ATOM 355 C MET A 101 -1.590 -3.421 2.917 1.00 0.00 C ATOM 356 O MET A 101 -1.614 -2.347 2.315 1.00 0.00 O ATOM 357 CB MET A 101 -0.739 -4.867 1.061 1.00 0.00 C ATOM 358 CG MET A 101 0.045 -6.165 1.118 1.00 0.00 C ATOM 359 SD MET A 101 0.078 -7.025 -0.468 1.00 0.00 S ATOM 360 CE MET A 101 1.842 -7.220 -0.705 1.00 0.00 C ATOM 0 H MET A 101 -3.328 -4.095 0.925 1.00 0.00 H new ATOM 0 HA MET A 101 -1.644 -5.562 2.874 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.240 -4.796 0.096 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.045 -4.029 1.122 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.067 -5.955 1.435 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.394 -6.818 1.872 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.113 -6.891 -1.708 1.00 0.00 H new ATOM 0 HE2 MET A 101 2.377 -6.619 0.031 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.112 -8.269 -0.582 1.00 0.00 H new ATOM 370 N ARG A 102 -1.419 -3.501 4.224 1.00 0.00 N ATOM 371 CA ARG A 102 -1.233 -2.310 5.033 1.00 0.00 C ATOM 372 C ARG A 102 0.224 -2.163 5.444 1.00 0.00 C ATOM 373 O ARG A 102 0.771 -3.021 6.135 1.00 0.00 O ATOM 374 CB ARG A 102 -2.129 -2.357 6.277 1.00 0.00 C ATOM 375 CG ARG A 102 -2.187 -3.723 6.951 1.00 0.00 C ATOM 376 CD ARG A 102 -2.128 -3.605 8.471 1.00 0.00 C ATOM 377 NE ARG A 102 -0.758 -3.451 8.964 1.00 0.00 N ATOM 378 CZ ARG A 102 0.056 -4.469 9.249 1.00 0.00 C ATOM 379 NH1 ARG A 102 -0.377 -5.726 9.151 1.00 0.00 N ATOM 380 NH2 ARG A 102 1.301 -4.223 9.653 1.00 0.00 N ATOM 0 H ARG A 102 -1.405 -4.376 4.747 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.515 -1.445 4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.770 -1.623 6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.139 -2.059 5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.105 -4.233 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.357 -4.337 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.725 -2.751 8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.576 -4.492 8.920 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.403 -2.504 9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.335 -5.914 8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.250 -6.500 9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.627 -3.261 9.743 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.928 -4.997 9.872 1.00 0.00 H new ATOM 394 N ALA A 103 0.851 -1.086 4.995 1.00 0.00 N ATOM 395 CA ALA A 103 2.220 -0.791 5.382 1.00 0.00 C ATOM 396 C ALA A 103 2.240 -0.173 6.773 1.00 0.00 C ATOM 397 O ALA A 103 2.834 -0.719 7.702 1.00 0.00 O ATOM 398 CB ALA A 103 2.867 0.142 4.369 1.00 0.00 C ATOM 0 H ALA A 103 0.433 -0.403 4.363 1.00 0.00 H new ATOM 0 HA ALA A 103 2.793 -1.718 5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.892 0.354 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.870 -0.332 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.303 1.074 4.320 1.00 0.00 H new ATOM 404 N GLN A 104 1.559 0.961 6.900 1.00 0.00 N ATOM 405 CA GLN A 104 1.409 1.656 8.173 1.00 0.00 C ATOM 406 C GLN A 104 0.501 2.862 7.986 1.00 0.00 C ATOM 407 O GLN A 104 0.840 3.795 7.252 1.00 0.00 O ATOM 408 CB GLN A 104 2.762 2.104 8.735 1.00 0.00 C ATOM 409 CG GLN A 104 3.051 1.550 10.121 1.00 0.00 C ATOM 410 CD GLN A 104 3.988 2.434 10.926 1.00 0.00 C ATOM 411 OE1 GLN A 104 3.657 3.575 11.260 1.00 0.00 O ATOM 412 NE2 GLN A 104 5.163 1.912 11.249 1.00 0.00 N ATOM 0 H GLN A 104 1.094 1.425 6.120 1.00 0.00 H new ATOM 0 HA GLN A 104 0.966 0.963 8.889 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.553 1.790 8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 104 2.789 3.193 8.774 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.113 1.434 10.664 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.489 0.556 10.026 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.399 0.965 10.954 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.831 2.458 11.793 1.00 0.00 H new ATOM 421 N GLY A 105 -0.659 2.823 8.619 1.00 0.00 N ATOM 422 CA GLY A 105 -1.609 3.908 8.501 1.00 0.00 C ATOM 423 C GLY A 105 -2.511 3.751 7.298 1.00 0.00 C ATOM 424 O GLY A 105 -3.695 3.459 7.436 1.00 0.00 O ATOM 0 H GLY A 105 -0.962 2.054 9.217 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.217 3.956 9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.071 4.853 8.428 1.00 0.00 H new ATOM 428 N ASN A 106 -1.942 3.918 6.116 1.00 0.00 N ATOM 429 CA ASN A 106 -2.703 3.806 4.880 1.00 0.00 C ATOM 430 C ASN A 106 -2.690 2.369 4.374 1.00 0.00 C ATOM 431 O ASN A 106 -1.750 1.612 4.641 1.00 0.00 O ATOM 432 CB ASN A 106 -2.135 4.749 3.816 1.00 0.00 C ATOM 433 CG ASN A 106 -3.220 5.353 2.947 1.00 0.00 C ATOM 434 OD1 ASN A 106 -4.301 4.786 2.803 1.00 0.00 O ATOM 435 ND2 ASN A 106 -2.943 6.513 2.369 1.00 0.00 N ATOM 0 H ASN A 106 -0.953 4.132 5.985 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.735 4.092 5.084 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.575 5.548 4.303 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.431 4.203 3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.640 6.968 1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.033 6.951 2.514 1.00 0.00 H new ATOM 442 N VAL A 107 -3.728 1.996 3.640 1.00 0.00 N ATOM 443 CA VAL A 107 -3.857 0.641 3.136 1.00 0.00 C ATOM 444 C VAL A 107 -3.910 0.645 1.610 1.00 0.00 C ATOM 445 O VAL A 107 -4.424 1.584 0.999 1.00 0.00 O ATOM 446 CB VAL A 107 -5.109 -0.063 3.721 1.00 0.00 C ATOM 447 CG1 VAL A 107 -6.381 0.368 3.005 1.00 0.00 C ATOM 448 CG2 VAL A 107 -4.954 -1.576 3.671 1.00 0.00 C ATOM 0 H VAL A 107 -4.495 2.617 3.381 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.980 0.079 3.456 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.196 0.242 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.237 -0.146 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.511 1.445 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.307 0.114 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.845 -2.047 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.824 -1.894 2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.082 -1.872 4.254 1.00 0.00 H new ATOM 458 N TYR A 108 -3.338 -0.388 1.010 1.00 0.00 N ATOM 459 CA TYR A 108 -3.310 -0.529 -0.438 1.00 0.00 C ATOM 460 C TYR A 108 -3.600 -1.975 -0.821 1.00 0.00 C ATOM 461 O TYR A 108 -3.889 -2.801 0.042 1.00 0.00 O ATOM 462 CB TYR A 108 -1.943 -0.101 -0.994 1.00 0.00 C ATOM 463 CG TYR A 108 -1.577 1.330 -0.675 1.00 0.00 C ATOM 464 CD1 TYR A 108 -2.155 2.385 -1.367 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.662 1.622 0.328 1.00 0.00 C ATOM 466 CE1 TYR A 108 -1.835 3.695 -1.066 1.00 0.00 C ATOM 467 CE2 TYR A 108 -0.334 2.928 0.635 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.924 3.961 -0.065 1.00 0.00 C ATOM 469 OH TYR A 108 -0.613 5.267 0.243 1.00 0.00 O ATOM 0 H TYR A 108 -2.881 -1.150 1.511 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.076 0.117 -0.868 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.175 -0.761 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.943 -0.234 -2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.866 2.179 -2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.199 0.815 0.877 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.295 4.506 -1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.379 3.140 1.418 1.00 0.00 H new ATOM 0 HH TYR A 108 0.043 5.284 0.971 1.00 0.00 H new ATOM 479 N HIS A 109 -3.521 -2.285 -2.104 1.00 0.00 N ATOM 480 CA HIS A 109 -3.766 -3.643 -2.572 1.00 0.00 C ATOM 481 C HIS A 109 -2.458 -4.311 -2.968 1.00 0.00 C ATOM 482 O HIS A 109 -1.399 -3.701 -2.880 1.00 0.00 O ATOM 483 CB HIS A 109 -4.719 -3.639 -3.764 1.00 0.00 C ATOM 484 CG HIS A 109 -6.156 -3.477 -3.390 1.00 0.00 C ATOM 485 ND1 HIS A 109 -6.841 -2.308 -3.623 1.00 0.00 N ATOM 486 CD2 HIS A 109 -6.988 -4.357 -2.786 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.064 -2.497 -3.164 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.204 -3.729 -2.643 1.00 0.00 N ATOM 0 H HIS A 109 -3.290 -1.618 -2.840 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.223 -4.204 -1.757 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.436 -2.832 -4.440 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.600 -4.572 -4.315 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.744 -5.362 -2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.851 -1.758 -3.202 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.047 -4.121 -2.224 1.00 0.00 H new ATOM 496 N LEU A 110 -2.537 -5.558 -3.421 1.00 0.00 N ATOM 497 CA LEU A 110 -1.348 -6.286 -3.855 1.00 0.00 C ATOM 498 C LEU A 110 -0.762 -5.639 -5.105 1.00 0.00 C ATOM 499 O LEU A 110 0.452 -5.485 -5.232 1.00 0.00 O ATOM 500 CB LEU A 110 -1.685 -7.753 -4.141 1.00 0.00 C ATOM 501 CG LEU A 110 -2.630 -8.414 -3.133 1.00 0.00 C ATOM 502 CD1 LEU A 110 -3.902 -8.886 -3.823 1.00 0.00 C ATOM 503 CD2 LEU A 110 -1.936 -9.572 -2.432 1.00 0.00 C ATOM 0 H LEU A 110 -3.407 -6.084 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.612 -6.247 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.133 -7.819 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.756 -8.323 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.905 -7.674 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.561 -9.353 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.408 -8.033 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.649 -9.610 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.622 -10.030 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.631 -10.314 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.057 -9.203 -1.904 1.00 0.00 H new ATOM 515 N LYS A 111 -1.643 -5.256 -6.019 1.00 0.00 N ATOM 516 CA LYS A 111 -1.238 -4.606 -7.258 1.00 0.00 C ATOM 517 C LYS A 111 -0.956 -3.127 -7.014 1.00 0.00 C ATOM 518 O LYS A 111 -0.144 -2.514 -7.704 1.00 0.00 O ATOM 519 CB LYS A 111 -2.338 -4.768 -8.313 1.00 0.00 C ATOM 520 CG LYS A 111 -3.730 -4.410 -7.803 1.00 0.00 C ATOM 521 CD LYS A 111 -4.651 -3.986 -8.933 1.00 0.00 C ATOM 522 CE LYS A 111 -5.095 -2.541 -8.773 1.00 0.00 C ATOM 523 NZ LYS A 111 -6.573 -2.408 -8.777 1.00 0.00 N ATOM 0 H LYS A 111 -2.650 -5.386 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.324 -5.077 -7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.102 -4.139 -9.172 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -2.343 -5.800 -8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.160 -5.268 -7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.654 -3.604 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.138 -4.107 -9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.525 -4.637 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.698 -2.141 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -4.675 -1.942 -9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.832 -1.407 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.951 -2.765 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.973 -2.959 -7.991 1.00 0.00 H new ATOM 537 N CYS A 112 -1.633 -2.574 -6.019 1.00 0.00 N ATOM 538 CA CYS A 112 -1.507 -1.168 -5.674 1.00 0.00 C ATOM 539 C CYS A 112 -0.243 -0.912 -4.848 1.00 0.00 C ATOM 540 O CYS A 112 0.218 0.224 -4.727 1.00 0.00 O ATOM 541 CB CYS A 112 -2.771 -0.742 -4.919 1.00 0.00 C ATOM 542 SG CYS A 112 -4.303 -1.241 -5.773 1.00 0.00 S ATOM 0 H CYS A 112 -2.286 -3.089 -5.428 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.409 -0.572 -6.581 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.758 -1.179 -3.921 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.766 0.341 -4.793 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.225 -1.501 -4.894 1.00 0.00 H new ATOM 547 N PHE A 113 0.321 -1.985 -4.306 1.00 0.00 N ATOM 548 CA PHE A 113 1.549 -1.909 -3.524 1.00 0.00 C ATOM 549 C PHE A 113 2.754 -1.746 -4.447 1.00 0.00 C ATOM 550 O PHE A 113 3.439 -2.717 -4.779 1.00 0.00 O ATOM 551 CB PHE A 113 1.711 -3.169 -2.666 1.00 0.00 C ATOM 552 CG PHE A 113 2.135 -2.897 -1.249 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.846 -1.686 -0.638 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.828 -3.858 -0.530 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.238 -1.442 0.664 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.221 -3.618 0.770 1.00 0.00 C ATOM 557 CZ PHE A 113 2.929 -2.408 1.368 1.00 0.00 C ATOM 0 H PHE A 113 -0.058 -2.928 -4.396 1.00 0.00 H new ATOM 0 HA PHE A 113 1.489 -1.041 -2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.765 -3.711 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.447 -3.823 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.309 -0.926 -1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.063 -4.805 -0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 113 2.004 -0.497 1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.757 -4.377 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.241 -2.218 2.384 1.00 0.00 H new ATOM 567 N THR A 114 2.998 -0.514 -4.863 1.00 0.00 N ATOM 568 CA THR A 114 4.088 -0.209 -5.775 1.00 0.00 C ATOM 569 C THR A 114 4.825 1.044 -5.312 1.00 0.00 C ATOM 570 O THR A 114 4.267 1.843 -4.558 1.00 0.00 O ATOM 571 CB THR A 114 3.554 0.014 -7.204 1.00 0.00 C ATOM 572 OG1 THR A 114 2.256 0.625 -7.157 1.00 0.00 O ATOM 573 CG2 THR A 114 3.461 -1.294 -7.969 1.00 0.00 C ATOM 0 H THR A 114 2.450 0.298 -4.580 1.00 0.00 H new ATOM 0 HA THR A 114 4.775 -1.056 -5.780 1.00 0.00 H new ATOM 0 HB THR A 114 4.255 0.671 -7.720 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.927 0.764 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.081 -1.102 -8.973 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.450 -1.748 -8.036 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.785 -1.973 -7.449 1.00 0.00 H new ATOM 581 N CYS A 115 6.074 1.214 -5.742 1.00 0.00 N ATOM 582 CA CYS A 115 6.813 2.421 -5.415 1.00 0.00 C ATOM 583 C CYS A 115 6.257 3.597 -6.213 1.00 0.00 C ATOM 584 O CYS A 115 5.714 3.421 -7.306 1.00 0.00 O ATOM 585 CB CYS A 115 8.314 2.232 -5.676 1.00 0.00 C ATOM 586 SG CYS A 115 8.830 2.488 -7.401 1.00 0.00 S ATOM 0 H CYS A 115 6.586 0.538 -6.310 1.00 0.00 H new ATOM 0 HA CYS A 115 6.692 2.633 -4.353 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.868 2.922 -5.040 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.596 1.224 -5.374 1.00 0.00 H new ATOM 0 HG CYS A 115 9.974 1.905 -7.603 1.00 0.00 H new ATOM 591 N SER A 116 6.387 4.791 -5.670 1.00 0.00 N ATOM 592 CA SER A 116 5.800 5.969 -6.291 1.00 0.00 C ATOM 593 C SER A 116 6.735 6.604 -7.325 1.00 0.00 C ATOM 594 O SER A 116 6.419 7.652 -7.896 1.00 0.00 O ATOM 595 CB SER A 116 5.426 6.988 -5.210 1.00 0.00 C ATOM 596 OG SER A 116 4.851 6.344 -4.080 1.00 0.00 O ATOM 0 H SER A 116 6.892 4.974 -4.803 1.00 0.00 H new ATOM 0 HA SER A 116 4.903 5.654 -6.824 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.314 7.542 -4.905 1.00 0.00 H new ATOM 0 HB3 SER A 116 4.722 7.714 -5.617 1.00 0.00 H new ATOM 0 HG SER A 116 4.622 7.014 -3.403 1.00 0.00 H new ATOM 602 N THR A 117 7.864 5.963 -7.596 1.00 0.00 N ATOM 603 CA THR A 117 8.847 6.541 -8.502 1.00 0.00 C ATOM 604 C THR A 117 9.020 5.720 -9.782 1.00 0.00 C ATOM 605 O THR A 117 8.942 6.266 -10.883 1.00 0.00 O ATOM 606 CB THR A 117 10.207 6.709 -7.807 1.00 0.00 C ATOM 607 OG1 THR A 117 10.008 6.923 -6.401 1.00 0.00 O ATOM 608 CG2 THR A 117 10.973 7.883 -8.400 1.00 0.00 C ATOM 0 H THR A 117 8.120 5.055 -7.208 1.00 0.00 H new ATOM 0 HA THR A 117 8.463 7.521 -8.785 1.00 0.00 H new ATOM 0 HB THR A 117 10.790 5.801 -7.961 1.00 0.00 H new ATOM 0 HG1 THR A 117 10.851 6.770 -5.924 1.00 0.00 H new ATOM 0 HG21 THR A 117 11.933 7.984 -7.894 1.00 0.00 H new ATOM 0 HG22 THR A 117 11.140 7.709 -9.463 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.395 8.798 -8.269 1.00 0.00 H new ATOM 616 N CYS A 118 9.235 4.414 -9.648 1.00 0.00 N ATOM 617 CA CYS A 118 9.455 3.564 -10.816 1.00 0.00 C ATOM 618 C CYS A 118 8.320 2.551 -10.962 1.00 0.00 C ATOM 619 O CYS A 118 8.377 1.656 -11.809 1.00 0.00 O ATOM 620 CB CYS A 118 10.810 2.843 -10.727 1.00 0.00 C ATOM 621 SG CYS A 118 11.909 3.434 -9.394 1.00 0.00 S ATOM 0 H CYS A 118 9.262 3.925 -8.753 1.00 0.00 H new ATOM 0 HA CYS A 118 9.469 4.202 -11.700 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.630 1.778 -10.584 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.327 2.953 -11.680 1.00 0.00 H new ATOM 0 HG CYS A 118 12.035 2.506 -8.492 1.00 0.00 H new ATOM 626 N ARG A 119 7.297 2.717 -10.119 1.00 0.00 N ATOM 627 CA ARG A 119 6.121 1.843 -10.082 1.00 0.00 C ATOM 628 C ARG A 119 6.527 0.369 -9.964 1.00 0.00 C ATOM 629 O ARG A 119 5.929 -0.521 -10.572 1.00 0.00 O ATOM 630 CB ARG A 119 5.177 2.116 -11.283 1.00 0.00 C ATOM 631 CG ARG A 119 5.557 1.452 -12.602 1.00 0.00 C ATOM 632 CD ARG A 119 4.538 0.390 -13.000 1.00 0.00 C ATOM 633 NE ARG A 119 4.881 -0.286 -14.256 1.00 0.00 N ATOM 634 CZ ARG A 119 5.975 -1.034 -14.436 1.00 0.00 C ATOM 635 NH1 ARG A 119 6.852 -1.192 -13.451 1.00 0.00 N ATOM 636 NH2 ARG A 119 6.189 -1.625 -15.602 1.00 0.00 N ATOM 0 H ARG A 119 7.262 3.472 -9.434 1.00 0.00 H new ATOM 0 HA ARG A 119 5.550 2.078 -9.184 1.00 0.00 H new ATOM 0 HB2 ARG A 119 4.173 1.789 -11.011 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.129 3.193 -11.443 1.00 0.00 H new ATOM 0 HG2 ARG A 119 5.624 2.207 -13.386 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.543 0.997 -12.512 1.00 0.00 H new ATOM 0 HD2 ARG A 119 4.462 -0.350 -12.204 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.557 0.854 -13.099 1.00 0.00 H new ATOM 0 HE ARG A 119 4.243 -0.178 -15.044 1.00 0.00 H new ATOM 0 HH11 ARG A 119 6.693 -0.741 -12.550 1.00 0.00 H new ATOM 0 HH12 ARG A 119 7.684 -1.764 -13.596 1.00 0.00 H new ATOM 0 HH21 ARG A 119 5.519 -1.510 -16.363 1.00 0.00 H new ATOM 0 HH22 ARG A 119 7.023 -2.195 -15.739 1.00 0.00 H new ATOM 650 N ASN A 120 7.542 0.110 -9.149 1.00 0.00 N ATOM 651 CA ASN A 120 7.997 -1.256 -8.929 1.00 0.00 C ATOM 652 C ASN A 120 7.101 -1.932 -7.903 1.00 0.00 C ATOM 653 O ASN A 120 6.833 -1.372 -6.842 1.00 0.00 O ATOM 654 CB ASN A 120 9.450 -1.293 -8.456 1.00 0.00 C ATOM 655 CG ASN A 120 9.932 -2.710 -8.181 1.00 0.00 C ATOM 656 OD1 ASN A 120 10.481 -2.933 -7.000 1.00 0.00 O flip ATOM 657 ND2 ASN A 120 9.809 -3.597 -9.027 1.00 0.00 N flip ATOM 0 H ASN A 120 8.061 0.821 -8.634 1.00 0.00 H new ATOM 0 HA ASN A 120 7.941 -1.790 -9.878 1.00 0.00 H new ATOM 0 HB2 ASN A 120 10.088 -0.835 -9.212 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.550 -0.695 -7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 120 9.380 -3.386 -9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 120 10.136 -4.542 -8.826 1.00 0.00 H new ATOM 664 N ARG A 121 6.624 -3.122 -8.233 1.00 0.00 N ATOM 665 CA ARG A 121 5.688 -3.828 -7.375 1.00 0.00 C ATOM 666 C ARG A 121 6.404 -4.447 -6.181 1.00 0.00 C ATOM 667 O ARG A 121 7.331 -5.237 -6.345 1.00 0.00 O ATOM 668 CB ARG A 121 4.963 -4.916 -8.168 1.00 0.00 C ATOM 669 CG ARG A 121 3.453 -4.773 -8.167 1.00 0.00 C ATOM 670 CD ARG A 121 2.760 -6.121 -8.080 1.00 0.00 C ATOM 671 NE ARG A 121 2.769 -6.664 -6.724 1.00 0.00 N ATOM 672 CZ ARG A 121 2.813 -7.966 -6.448 1.00 0.00 C ATOM 673 NH1 ARG A 121 2.892 -8.855 -7.435 1.00 0.00 N ATOM 674 NH2 ARG A 121 2.801 -8.374 -5.185 1.00 0.00 N ATOM 0 H ARG A 121 6.870 -3.619 -9.089 1.00 0.00 H new ATOM 0 HA ARG A 121 4.959 -3.108 -7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 121 5.319 -4.900 -9.198 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.226 -5.890 -7.755 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.147 -4.152 -7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.136 -4.259 -9.074 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.730 -6.020 -8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 121 3.251 -6.823 -8.753 1.00 0.00 H new ATOM 0 HE ARG A 121 2.740 -6.008 -5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.919 -8.539 -8.405 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.926 -9.852 -7.222 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.758 -7.691 -4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 121 2.835 -9.371 -4.971 1.00 0.00 H new ATOM 688 N LEU A 122 5.964 -4.090 -4.987 1.00 0.00 N ATOM 689 CA LEU A 122 6.541 -4.632 -3.769 1.00 0.00 C ATOM 690 C LEU A 122 5.969 -6.020 -3.491 1.00 0.00 C ATOM 691 O LEU A 122 4.768 -6.252 -3.661 1.00 0.00 O ATOM 692 CB LEU A 122 6.274 -3.689 -2.597 1.00 0.00 C ATOM 693 CG LEU A 122 6.402 -2.201 -2.938 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.641 -1.359 -1.930 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.867 -1.782 -2.999 1.00 0.00 C ATOM 0 H LEU A 122 5.206 -3.425 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 122 7.620 -4.725 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.270 -3.877 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.969 -3.925 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 122 5.965 -2.036 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.742 -0.304 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.587 -1.637 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.047 -1.530 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.932 -0.722 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.337 -1.962 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.380 -2.363 -3.766 1.00 0.00 H new ATOM 707 N VAL A 123 6.830 -6.939 -3.074 1.00 0.00 N ATOM 708 CA VAL A 123 6.435 -8.327 -2.885 1.00 0.00 C ATOM 709 C VAL A 123 6.968 -8.856 -1.562 1.00 0.00 C ATOM 710 O VAL A 123 8.082 -8.524 -1.163 1.00 0.00 O ATOM 711 CB VAL A 123 6.954 -9.249 -4.022 1.00 0.00 C ATOM 712 CG1 VAL A 123 5.808 -10.040 -4.636 1.00 0.00 C ATOM 713 CG2 VAL A 123 7.695 -8.458 -5.098 1.00 0.00 C ATOM 0 H VAL A 123 7.809 -6.747 -2.860 1.00 0.00 H new ATOM 0 HA VAL A 123 5.345 -8.341 -2.894 1.00 0.00 H new ATOM 0 HB VAL A 123 7.664 -9.947 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.192 -10.680 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 123 5.339 -10.656 -3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 123 5.071 -9.351 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 123 8.042 -9.138 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 123 7.022 -7.720 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 123 8.550 -7.950 -4.652 1.00 0.00 H new ATOM 723 N PRO A 124 6.162 -9.647 -0.845 1.00 0.00 N ATOM 724 CA PRO A 124 6.606 -10.330 0.370 1.00 0.00 C ATOM 725 C PRO A 124 7.859 -11.163 0.115 1.00 0.00 C ATOM 726 O PRO A 124 7.851 -12.078 -0.709 1.00 0.00 O ATOM 727 CB PRO A 124 5.428 -11.235 0.722 1.00 0.00 C ATOM 728 CG PRO A 124 4.245 -10.576 0.110 1.00 0.00 C ATOM 729 CD PRO A 124 4.747 -9.920 -1.148 1.00 0.00 C ATOM 0 HA PRO A 124 6.870 -9.633 1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 124 5.570 -12.240 0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 124 5.312 -11.331 1.802 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.464 -11.303 -0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.812 -9.841 0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.640 -10.574 -2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.199 -9.004 -1.371 1.00 0.00 H new ATOM 737 N GLY A 125 8.936 -10.831 0.810 1.00 0.00 N ATOM 738 CA GLY A 125 10.200 -11.507 0.586 1.00 0.00 C ATOM 739 C GLY A 125 11.123 -10.684 -0.286 1.00 0.00 C ATOM 740 O GLY A 125 12.244 -11.094 -0.591 1.00 0.00 O ATOM 0 H GLY A 125 8.959 -10.105 1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 125 10.683 -11.705 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 125 10.019 -12.473 0.115 1.00 0.00 H new ATOM 744 N ASP A 126 10.645 -9.520 -0.697 1.00 0.00 N ATOM 745 CA ASP A 126 11.446 -8.602 -1.491 1.00 0.00 C ATOM 746 C ASP A 126 11.613 -7.276 -0.759 1.00 0.00 C ATOM 747 O ASP A 126 11.181 -7.130 0.385 1.00 0.00 O ATOM 748 CB ASP A 126 10.810 -8.368 -2.862 1.00 0.00 C ATOM 749 CG ASP A 126 11.850 -8.111 -3.933 1.00 0.00 C ATOM 750 OD1 ASP A 126 12.334 -6.964 -4.034 1.00 0.00 O ATOM 751 OD2 ASP A 126 12.203 -9.064 -4.664 1.00 0.00 O ATOM 0 H ASP A 126 9.702 -9.188 -0.493 1.00 0.00 H new ATOM 0 HA ASP A 126 12.428 -9.051 -1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.213 -9.237 -3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.130 -7.518 -2.806 1.00 0.00 H new ATOM 756 N ARG A 127 12.207 -6.304 -1.431 1.00 0.00 N ATOM 757 CA ARG A 127 12.558 -5.046 -0.793 1.00 0.00 C ATOM 758 C ARG A 127 11.443 -4.025 -0.943 1.00 0.00 C ATOM 759 O ARG A 127 10.981 -3.750 -2.049 1.00 0.00 O ATOM 760 CB ARG A 127 13.853 -4.483 -1.383 1.00 0.00 C ATOM 761 CG ARG A 127 15.102 -5.169 -0.866 1.00 0.00 C ATOM 762 CD ARG A 127 16.092 -5.428 -1.987 1.00 0.00 C ATOM 763 NE ARG A 127 16.562 -6.811 -1.998 1.00 0.00 N ATOM 764 CZ ARG A 127 16.012 -7.781 -2.729 1.00 0.00 C ATOM 765 NH1 ARG A 127 15.021 -7.504 -3.566 1.00 0.00 N ATOM 766 NH2 ARG A 127 16.467 -9.025 -2.640 1.00 0.00 N ATOM 0 H ARG A 127 12.456 -6.362 -2.418 1.00 0.00 H new ATOM 0 HA ARG A 127 12.706 -5.247 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.819 -4.577 -2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.913 -3.418 -1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.570 -4.550 -0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.832 -6.112 -0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.624 -5.197 -2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.944 -4.757 -1.879 1.00 0.00 H new ATOM 0 HE ARG A 127 17.361 -7.049 -1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 127 14.678 -6.547 -3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 127 14.602 -8.248 -4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 127 17.240 -9.242 -2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 127 16.044 -9.764 -3.201 1.00 0.00 H new ATOM 780 N PHE A 128 11.015 -3.473 0.177 1.00 0.00 N ATOM 781 CA PHE A 128 10.035 -2.404 0.180 1.00 0.00 C ATOM 782 C PHE A 128 10.469 -1.346 1.185 1.00 0.00 C ATOM 783 O PHE A 128 10.899 -1.674 2.286 1.00 0.00 O ATOM 784 CB PHE A 128 8.639 -2.966 0.501 1.00 0.00 C ATOM 785 CG PHE A 128 7.899 -2.257 1.606 1.00 0.00 C ATOM 786 CD1 PHE A 128 8.048 -2.658 2.925 1.00 0.00 C ATOM 787 CD2 PHE A 128 7.046 -1.205 1.323 1.00 0.00 C ATOM 788 CE1 PHE A 128 7.365 -2.017 3.939 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.358 -0.564 2.333 1.00 0.00 C ATOM 790 CZ PHE A 128 6.519 -0.970 3.642 1.00 0.00 C ATOM 0 H PHE A 128 11.335 -3.751 1.105 1.00 0.00 H new ATOM 0 HA PHE A 128 9.974 -1.941 -0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.032 -2.927 -0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.742 -4.017 0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 128 8.706 -3.481 3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.917 -0.882 0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.493 -2.335 4.963 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.694 0.255 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 128 5.982 -0.468 4.433 1.00 0.00 H new ATOM 800 N HIS A 129 10.386 -0.086 0.804 1.00 0.00 N ATOM 801 CA HIS A 129 10.839 0.986 1.678 1.00 0.00 C ATOM 802 C HIS A 129 9.728 1.998 1.927 1.00 0.00 C ATOM 803 O HIS A 129 9.250 2.658 1.005 1.00 0.00 O ATOM 804 CB HIS A 129 12.083 1.670 1.088 1.00 0.00 C ATOM 805 CG HIS A 129 13.255 0.742 0.925 1.00 0.00 C ATOM 806 ND1 HIS A 129 14.082 0.435 1.983 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.680 0.067 -0.174 1.00 0.00 C ATOM 808 CE1 HIS A 129 14.977 -0.415 1.511 1.00 0.00 C ATOM 809 NE2 HIS A 129 14.775 -0.671 0.209 1.00 0.00 N ATOM 0 H HIS A 129 10.014 0.222 -0.094 1.00 0.00 H new ATOM 0 HA HIS A 129 11.110 0.550 2.639 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.828 2.095 0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 129 12.373 2.499 1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.242 0.103 -1.160 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.772 -0.849 2.099 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.327 -1.293 -0.382 1.00 0.00 H new ATOM 817 N TYR A 130 9.308 2.098 3.181 1.00 0.00 N ATOM 818 CA TYR A 130 8.287 3.045 3.580 1.00 0.00 C ATOM 819 C TYR A 130 8.954 4.213 4.285 1.00 0.00 C ATOM 820 O TYR A 130 9.323 4.116 5.454 1.00 0.00 O ATOM 821 CB TYR A 130 7.297 2.361 4.524 1.00 0.00 C ATOM 822 CG TYR A 130 5.947 3.033 4.625 1.00 0.00 C ATOM 823 CD1 TYR A 130 5.209 3.344 3.493 1.00 0.00 C ATOM 824 CD2 TYR A 130 5.404 3.330 5.865 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.962 3.933 3.594 1.00 0.00 C ATOM 826 CE2 TYR A 130 4.163 3.922 5.976 1.00 0.00 C ATOM 827 CZ TYR A 130 3.444 4.221 4.839 1.00 0.00 C ATOM 828 OH TYR A 130 2.202 4.804 4.947 1.00 0.00 O ATOM 0 H TYR A 130 9.667 1.525 3.945 1.00 0.00 H new ATOM 0 HA TYR A 130 7.747 3.406 2.704 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.151 1.333 4.192 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.739 2.315 5.519 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.615 3.123 2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.962 3.094 6.759 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.397 4.166 2.703 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.756 4.150 6.950 1.00 0.00 H new ATOM 0 HH TYR A 130 1.743 4.452 5.738 1.00 0.00 H new ATOM 838 N ILE A 131 9.116 5.314 3.576 1.00 0.00 N ATOM 839 CA ILE A 131 9.808 6.464 4.131 1.00 0.00 C ATOM 840 C ILE A 131 8.886 7.669 4.183 1.00 0.00 C ATOM 841 O ILE A 131 8.431 8.157 3.149 1.00 0.00 O ATOM 842 CB ILE A 131 11.082 6.805 3.320 1.00 0.00 C ATOM 843 CG1 ILE A 131 12.103 5.671 3.436 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.701 8.116 3.796 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.686 5.242 2.107 1.00 0.00 C ATOM 0 H ILE A 131 8.781 5.437 2.621 1.00 0.00 H new ATOM 0 HA ILE A 131 10.112 6.205 5.145 1.00 0.00 H new ATOM 0 HB ILE A 131 10.795 6.922 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 131 12.913 5.988 4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.627 4.812 3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.594 8.331 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.981 8.925 3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.971 8.030 4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 131 13.401 4.435 2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.886 4.893 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.191 6.088 1.641 1.00 0.00 H new ATOM 857 N ASN A 132 8.597 8.115 5.404 1.00 0.00 N ATOM 858 CA ASN A 132 7.742 9.282 5.639 1.00 0.00 C ATOM 859 C ASN A 132 6.355 9.085 5.037 1.00 0.00 C ATOM 860 O ASN A 132 5.714 10.040 4.610 1.00 0.00 O ATOM 861 CB ASN A 132 8.387 10.554 5.072 1.00 0.00 C ATOM 862 CG ASN A 132 9.252 11.269 6.092 1.00 0.00 C ATOM 863 OD1 ASN A 132 10.282 10.752 6.521 1.00 0.00 O ATOM 864 ND2 ASN A 132 8.840 12.461 6.489 1.00 0.00 N ATOM 0 H ASN A 132 8.947 7.680 6.258 1.00 0.00 H new ATOM 0 HA ASN A 132 7.632 9.395 6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.993 10.295 4.204 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.606 11.230 4.725 1.00 0.00 H new ATOM 0 HD21 ASN A 132 9.383 12.986 7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 132 7.980 12.856 6.109 1.00 0.00 H new ATOM 871 N GLY A 133 5.897 7.837 5.013 1.00 0.00 N ATOM 872 CA GLY A 133 4.582 7.547 4.474 1.00 0.00 C ATOM 873 C GLY A 133 4.574 7.473 2.960 1.00 0.00 C ATOM 874 O GLY A 133 3.592 7.852 2.319 1.00 0.00 O ATOM 0 H GLY A 133 6.411 7.025 5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 133 4.227 6.600 4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 133 3.882 8.317 4.800 1.00 0.00 H new ATOM 878 N SER A 134 5.664 6.980 2.384 1.00 0.00 N ATOM 879 CA SER A 134 5.769 6.872 0.937 1.00 0.00 C ATOM 880 C SER A 134 6.439 5.564 0.553 1.00 0.00 C ATOM 881 O SER A 134 7.388 5.127 1.210 1.00 0.00 O ATOM 882 CB SER A 134 6.552 8.053 0.358 1.00 0.00 C ATOM 883 OG SER A 134 6.701 9.095 1.307 1.00 0.00 O ATOM 0 H SER A 134 6.483 6.651 2.895 1.00 0.00 H new ATOM 0 HA SER A 134 4.762 6.890 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.535 7.714 0.032 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.037 8.434 -0.524 1.00 0.00 H new ATOM 0 HG SER A 134 7.393 8.850 1.956 1.00 0.00 H new ATOM 889 N LEU A 135 5.934 4.940 -0.504 1.00 0.00 N ATOM 890 CA LEU A 135 6.448 3.655 -0.955 1.00 0.00 C ATOM 891 C LEU A 135 7.556 3.839 -1.985 1.00 0.00 C ATOM 892 O LEU A 135 7.356 4.482 -3.019 1.00 0.00 O ATOM 893 CB LEU A 135 5.319 2.810 -1.553 1.00 0.00 C ATOM 894 CG LEU A 135 4.065 2.686 -0.681 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.865 2.279 -1.522 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.290 1.687 0.445 1.00 0.00 C ATOM 0 H LEU A 135 5.166 5.306 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 135 6.863 3.138 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.034 3.241 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.703 1.810 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 135 3.860 3.661 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.985 2.196 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.687 3.031 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.062 1.317 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.388 1.614 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.524 0.710 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.120 2.021 1.067 1.00 0.00 H new ATOM 908 N PHE A 136 8.725 3.291 -1.680 1.00 0.00 N ATOM 909 CA PHE A 136 9.856 3.313 -2.599 1.00 0.00 C ATOM 910 C PHE A 136 10.410 1.902 -2.763 1.00 0.00 C ATOM 911 O PHE A 136 10.191 1.038 -1.904 1.00 0.00 O ATOM 912 CB PHE A 136 10.957 4.252 -2.093 1.00 0.00 C ATOM 913 CG PHE A 136 10.495 5.660 -1.844 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.218 6.516 -2.899 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.332 6.126 -0.549 1.00 0.00 C ATOM 916 CE1 PHE A 136 9.789 7.809 -2.670 1.00 0.00 C ATOM 917 CE2 PHE A 136 9.906 7.420 -0.312 1.00 0.00 C ATOM 918 CZ PHE A 136 9.632 8.261 -1.373 1.00 0.00 C ATOM 0 H PHE A 136 8.916 2.822 -0.795 1.00 0.00 H new ATOM 0 HA PHE A 136 9.510 3.684 -3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.369 3.847 -1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.767 4.270 -2.822 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.339 6.167 -3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.540 5.471 0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.577 8.465 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.788 7.773 0.702 1.00 0.00 H new ATOM 0 HZ PHE A 136 9.295 9.271 -1.189 1.00 0.00 H new ATOM 928 N CYS A 137 11.130 1.664 -3.853 1.00 0.00 N ATOM 929 CA CYS A 137 11.654 0.337 -4.128 1.00 0.00 C ATOM 930 C CYS A 137 13.177 0.319 -4.071 1.00 0.00 C ATOM 931 O CYS A 137 13.806 1.276 -3.621 1.00 0.00 O ATOM 932 CB CYS A 137 11.164 -0.162 -5.492 1.00 0.00 C ATOM 933 SG CYS A 137 12.076 0.496 -6.928 1.00 0.00 S ATOM 0 H CYS A 137 11.361 2.368 -4.554 1.00 0.00 H new ATOM 0 HA CYS A 137 11.282 -0.335 -3.354 1.00 0.00 H new ATOM 0 HB2 CYS A 137 11.228 -1.250 -5.508 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.111 0.097 -5.600 1.00 0.00 H new ATOM 0 HG CYS A 137 12.192 -0.432 -7.831 1.00 0.00 H new ATOM 938 N GLU A 138 13.760 -0.783 -4.528 1.00 0.00 N ATOM 939 CA GLU A 138 15.207 -0.944 -4.534 1.00 0.00 C ATOM 940 C GLU A 138 15.840 -0.180 -5.698 1.00 0.00 C ATOM 941 O GLU A 138 17.015 0.174 -5.648 1.00 0.00 O ATOM 942 CB GLU A 138 15.582 -2.436 -4.584 1.00 0.00 C ATOM 943 CG GLU A 138 15.872 -2.972 -5.982 1.00 0.00 C ATOM 944 CD GLU A 138 16.767 -4.195 -5.967 1.00 0.00 C ATOM 945 OE1 GLU A 138 16.500 -5.125 -5.177 1.00 0.00 O ATOM 946 OE2 GLU A 138 17.744 -4.235 -6.745 1.00 0.00 O ATOM 0 H GLU A 138 13.248 -1.582 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 138 15.601 -0.523 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 138 16.460 -2.598 -3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 138 14.769 -3.016 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 138 14.931 -3.222 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 138 16.344 -2.189 -6.576 1.00 0.00 H new ATOM 953 N HIS A 139 15.048 0.090 -6.730 1.00 0.00 N ATOM 954 CA HIS A 139 15.534 0.741 -7.921 1.00 0.00 C ATOM 955 C HIS A 139 15.681 2.239 -7.690 1.00 0.00 C ATOM 956 O HIS A 139 16.523 2.896 -8.304 1.00 0.00 O ATOM 957 CB HIS A 139 14.550 0.483 -9.051 1.00 0.00 C ATOM 958 CG HIS A 139 14.770 -0.811 -9.773 1.00 0.00 C ATOM 959 ND1 HIS A 139 15.696 -0.926 -10.783 1.00 0.00 N ATOM 960 CD2 HIS A 139 14.159 -2.010 -9.593 1.00 0.00 C ATOM 961 CE1 HIS A 139 15.628 -2.182 -11.192 1.00 0.00 C ATOM 962 NE2 HIS A 139 14.710 -2.875 -10.503 1.00 0.00 N ATOM 0 H HIS A 139 14.054 -0.139 -6.756 1.00 0.00 H new ATOM 0 HA HIS A 139 16.514 0.341 -8.180 1.00 0.00 H new ATOM 0 HB2 HIS A 139 13.538 0.493 -8.646 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.614 1.302 -9.768 1.00 0.00 H new ATOM 0 HD2 HIS A 139 13.388 -2.238 -8.872 1.00 0.00 H new ATOM 0 HE1 HIS A 139 16.236 -2.597 -11.982 1.00 0.00 H new ATOM 0 HE2 HIS A 139 14.468 -3.858 -10.631 1.00 0.00 H new ATOM 970 N ASP A 140 14.854 2.769 -6.798 1.00 0.00 N ATOM 971 CA ASP A 140 14.864 4.196 -6.500 1.00 0.00 C ATOM 972 C ASP A 140 15.106 4.429 -5.009 1.00 0.00 C ATOM 973 O ASP A 140 14.696 5.442 -4.448 1.00 0.00 O ATOM 974 CB ASP A 140 13.557 4.860 -6.991 1.00 0.00 C ATOM 975 CG ASP A 140 12.380 4.782 -6.022 1.00 0.00 C ATOM 976 OD1 ASP A 140 11.718 3.718 -5.929 1.00 0.00 O ATOM 977 OD2 ASP A 140 12.095 5.813 -5.359 1.00 0.00 O ATOM 0 H ASP A 140 14.167 2.232 -6.268 1.00 0.00 H new ATOM 0 HA ASP A 140 15.687 4.667 -7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 140 13.761 5.909 -7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.263 4.394 -7.931 1.00 0.00 H new ATOM 982 N ARG A 141 15.829 3.486 -4.402 1.00 0.00 N ATOM 983 CA ARG A 141 16.148 3.519 -2.968 1.00 0.00 C ATOM 984 C ARG A 141 16.754 4.861 -2.554 1.00 0.00 C ATOM 985 O ARG A 141 17.880 5.189 -2.935 1.00 0.00 O ATOM 986 CB ARG A 141 17.123 2.386 -2.628 1.00 0.00 C ATOM 987 CG ARG A 141 17.148 2.002 -1.154 1.00 0.00 C ATOM 988 CD ARG A 141 18.104 0.846 -0.899 1.00 0.00 C ATOM 989 NE ARG A 141 18.149 0.457 0.514 1.00 0.00 N ATOM 990 CZ ARG A 141 18.563 -0.733 0.936 1.00 0.00 C ATOM 991 NH1 ARG A 141 18.963 -1.648 0.058 1.00 0.00 N ATOM 992 NH2 ARG A 141 18.586 -1.006 2.232 1.00 0.00 N ATOM 0 H ARG A 141 16.212 2.676 -4.889 1.00 0.00 H new ATOM 0 HA ARG A 141 15.217 3.387 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 141 16.859 1.507 -3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 141 18.127 2.683 -2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 141 17.448 2.863 -0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 141 16.144 1.725 -0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 141 17.800 -0.012 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 141 19.105 1.127 -1.227 1.00 0.00 H new ATOM 0 HE ARG A 141 17.846 1.137 1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 141 18.952 -1.436 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 141 19.281 -2.561 0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 141 18.286 -0.302 2.907 1.00 0.00 H new ATOM 0 HH22 ARG A 141 18.904 -1.920 2.555 1.00 0.00 H new ATOM 1006 N PRO A 142 16.012 5.652 -1.764 1.00 0.00 N ATOM 1007 CA PRO A 142 16.447 6.968 -1.311 1.00 0.00 C ATOM 1008 C PRO A 142 17.315 6.888 -0.059 1.00 0.00 C ATOM 1009 O PRO A 142 16.831 7.077 1.060 1.00 0.00 O ATOM 1010 CB PRO A 142 15.128 7.697 -0.998 1.00 0.00 C ATOM 1011 CG PRO A 142 14.030 6.696 -1.213 1.00 0.00 C ATOM 1012 CD PRO A 142 14.676 5.341 -1.257 1.00 0.00 C ATOM 0 HA PRO A 142 17.061 7.472 -2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 142 15.122 8.066 0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 142 14.998 8.562 -1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 142 13.297 6.748 -0.408 1.00 0.00 H new ATOM 0 HG3 PRO A 142 13.498 6.900 -2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.712 4.875 -0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 142 14.140 4.656 -1.914 1.00 0.00 H new ATOM 1020 N THR A 143 18.603 6.627 -0.256 1.00 0.00 N ATOM 1021 CA THR A 143 19.556 6.489 0.841 1.00 0.00 C ATOM 1022 C THR A 143 19.799 7.810 1.577 1.00 0.00 C ATOM 1023 O THR A 143 20.564 7.859 2.539 1.00 0.00 O ATOM 1024 CB THR A 143 20.896 5.957 0.315 1.00 0.00 C ATOM 1025 OG1 THR A 143 20.771 5.656 -1.084 1.00 0.00 O ATOM 1026 CG2 THR A 143 21.318 4.711 1.078 1.00 0.00 C ATOM 0 H THR A 143 19.016 6.505 -1.181 1.00 0.00 H new ATOM 0 HA THR A 143 19.119 5.785 1.549 1.00 0.00 H new ATOM 0 HB THR A 143 21.660 6.721 0.460 1.00 0.00 H new ATOM 0 HG1 THR A 143 20.876 6.479 -1.606 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.270 4.351 0.689 1.00 0.00 H new ATOM 0 HG22 THR A 143 21.426 4.951 2.136 1.00 0.00 H new ATOM 0 HG23 THR A 143 20.561 3.936 0.957 1.00 0.00 H new ATOM 1034 N ALA A 144 19.147 8.874 1.119 1.00 0.00 N ATOM 1035 CA ALA A 144 19.277 10.190 1.741 1.00 0.00 C ATOM 1036 C ALA A 144 18.663 10.208 3.141 1.00 0.00 C ATOM 1037 O ALA A 144 18.938 11.104 3.938 1.00 0.00 O ATOM 1038 CB ALA A 144 18.627 11.250 0.863 1.00 0.00 C ATOM 0 H ALA A 144 18.520 8.851 0.315 1.00 0.00 H new ATOM 0 HA ALA A 144 20.339 10.413 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 144 18.729 12.227 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 144 19.116 11.265 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 144 17.570 11.018 0.735 1.00 0.00 H new ATOM 1044 N LEU A 145 17.827 9.220 3.434 1.00 0.00 N ATOM 1045 CA LEU A 145 17.212 9.116 4.748 1.00 0.00 C ATOM 1046 C LEU A 145 17.092 7.655 5.173 1.00 0.00 C ATOM 1047 O LEU A 145 18.080 7.042 5.567 1.00 0.00 O ATOM 1048 CB LEU A 145 15.837 9.787 4.754 1.00 0.00 C ATOM 1049 CG LEU A 145 15.336 10.218 6.134 1.00 0.00 C ATOM 1050 CD1 LEU A 145 15.822 11.622 6.466 1.00 0.00 C ATOM 1051 CD2 LEU A 145 13.817 10.147 6.196 1.00 0.00 C ATOM 0 H LEU A 145 17.561 8.483 2.781 1.00 0.00 H new ATOM 0 HA LEU A 145 17.852 9.632 5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 145 15.874 10.663 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 145 15.112 9.100 4.319 1.00 0.00 H new ATOM 0 HG LEU A 145 15.742 9.532 6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 145 15.455 11.910 7.451 1.00 0.00 H new ATOM 0 HD12 LEU A 145 16.912 11.640 6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 145 15.447 12.323 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 145 13.478 10.457 7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 145 13.391 10.809 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 145 13.492 9.124 6.006 1.00 0.00 H new ATOM 1063 N ILE A 146 15.881 7.102 5.060 1.00 0.00 N ATOM 1064 CA ILE A 146 15.586 5.738 5.506 1.00 0.00 C ATOM 1065 C ILE A 146 15.785 5.592 7.015 1.00 0.00 C ATOM 1066 O ILE A 146 16.910 5.469 7.498 1.00 0.00 O ATOM 1067 CB ILE A 146 16.443 4.678 4.776 1.00 0.00 C ATOM 1068 CG1 ILE A 146 16.319 4.836 3.264 1.00 0.00 C ATOM 1069 CG2 ILE A 146 16.021 3.274 5.191 1.00 0.00 C ATOM 1070 CD1 ILE A 146 17.297 3.985 2.479 1.00 0.00 C ATOM 0 H ILE A 146 15.079 7.587 4.657 1.00 0.00 H new ATOM 0 HA ILE A 146 14.540 5.561 5.257 1.00 0.00 H new ATOM 0 HB ILE A 146 17.485 4.829 5.058 1.00 0.00 H new ATOM 0 HG12 ILE A 146 15.304 4.578 2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 146 16.472 5.883 3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 146 16.634 2.540 4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 146 16.154 3.157 6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 146 14.973 3.119 4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 146 17.149 4.151 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 146 18.317 4.258 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 146 17.130 2.933 2.709 1.00 0.00 H new ATOM 1146 N GLY A 207 17.021 -2.689 5.272 1.00 0.00 N ATOM 1147 CA GLY A 207 15.810 -2.111 4.734 1.00 0.00 C ATOM 1148 C GLY A 207 14.588 -2.850 5.235 1.00 0.00 C ATOM 1149 O GLY A 207 14.678 -3.600 6.209 1.00 0.00 O ATOM 0 HA2 GLY A 207 15.746 -1.061 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 207 15.839 -2.145 3.645 1.00 0.00 H new ATOM 1153 N SER A 208 13.454 -2.665 4.578 1.00 0.00 N ATOM 1154 CA SER A 208 12.224 -3.322 4.997 1.00 0.00 C ATOM 1155 C SER A 208 11.740 -4.316 3.945 1.00 0.00 C ATOM 1156 O SER A 208 12.140 -4.262 2.777 1.00 0.00 O ATOM 1157 CB SER A 208 11.146 -2.276 5.291 1.00 0.00 C ATOM 1158 OG SER A 208 11.590 -1.364 6.284 1.00 0.00 O ATOM 0 H SER A 208 13.359 -2.068 3.756 1.00 0.00 H new ATOM 0 HA SER A 208 12.429 -3.883 5.909 1.00 0.00 H new ATOM 0 HB2 SER A 208 10.898 -1.735 4.378 1.00 0.00 H new ATOM 0 HB3 SER A 208 10.234 -2.770 5.626 1.00 0.00 H new ATOM 0 HG SER A 208 10.888 -0.702 6.457 1.00 0.00 H new ATOM 1164 N ILE A 404 10.898 -5.235 4.384 1.00 0.00 N ATOM 1165 CA ILE A 404 10.318 -6.243 3.518 1.00 0.00 C ATOM 1166 C ILE A 404 8.827 -5.980 3.366 1.00 0.00 C ATOM 1167 O ILE A 404 8.158 -5.624 4.337 1.00 0.00 O ATOM 1168 CB ILE A 404 10.544 -7.657 4.101 1.00 0.00 C ATOM 1169 CG1 ILE A 404 12.046 -7.941 4.260 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.880 -8.721 3.245 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.730 -8.444 3.002 1.00 0.00 C ATOM 0 H ILE A 404 10.597 -5.302 5.356 1.00 0.00 H new ATOM 0 HA ILE A 404 10.802 -6.191 2.543 1.00 0.00 H new ATOM 0 HB ILE A 404 10.080 -7.691 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.543 -7.028 4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 404 12.181 -8.678 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 404 10.058 -9.703 3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.807 -8.533 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.297 -8.691 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.786 -8.618 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.264 -9.376 2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.631 -7.700 2.212 1.00 0.00 H new ATOM 1183 N ALA A 405 8.320 -6.125 2.149 1.00 0.00 N ATOM 1184 CA ALA A 405 6.914 -5.862 1.864 1.00 0.00 C ATOM 1185 C ALA A 405 5.996 -6.743 2.710 1.00 0.00 C ATOM 1186 O ALA A 405 6.116 -7.972 2.706 1.00 0.00 O ATOM 1187 CB ALA A 405 6.629 -6.063 0.387 1.00 0.00 C ATOM 0 H ALA A 405 8.863 -6.425 1.339 1.00 0.00 H new ATOM 0 HA ALA A 405 6.709 -4.824 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.576 -5.863 0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 405 7.244 -5.380 -0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.862 -7.091 0.108 1.00 0.00 H new ATOM 1193 N PRO A 406 5.087 -6.105 3.467 1.00 0.00 N ATOM 1194 CA PRO A 406 4.100 -6.802 4.299 1.00 0.00 C ATOM 1195 C PRO A 406 3.187 -7.708 3.484 1.00 0.00 C ATOM 1196 O PRO A 406 3.068 -7.561 2.266 1.00 0.00 O ATOM 1197 CB PRO A 406 3.288 -5.664 4.931 1.00 0.00 C ATOM 1198 CG PRO A 406 4.159 -4.462 4.829 1.00 0.00 C ATOM 1199 CD PRO A 406 4.968 -4.645 3.581 1.00 0.00 C ATOM 0 HA PRO A 406 4.580 -7.457 5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.345 -5.513 4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.042 -5.885 5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 406 3.563 -3.551 4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 406 4.804 -4.372 5.703 1.00 0.00 H new ATOM 0 HD2 PRO A 406 4.471 -4.213 2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.944 -4.167 3.661 1.00 0.00 H new ATOM 1207 N PHE A 407 2.541 -8.637 4.167 1.00 0.00 N ATOM 1208 CA PHE A 407 1.677 -9.610 3.519 1.00 0.00 C ATOM 1209 C PHE A 407 0.228 -9.134 3.539 1.00 0.00 C ATOM 1210 O PHE A 407 -0.139 -8.305 4.374 1.00 0.00 O ATOM 1211 CB PHE A 407 1.800 -10.969 4.221 1.00 0.00 C ATOM 1212 CG PHE A 407 3.165 -11.586 4.111 1.00 0.00 C ATOM 1213 CD1 PHE A 407 4.235 -11.078 4.835 1.00 0.00 C ATOM 1214 CD2 PHE A 407 3.377 -12.679 3.286 1.00 0.00 C ATOM 1215 CE1 PHE A 407 5.490 -11.644 4.734 1.00 0.00 C ATOM 1216 CE2 PHE A 407 4.631 -13.250 3.183 1.00 0.00 C ATOM 1217 CZ PHE A 407 5.687 -12.733 3.908 1.00 0.00 C ATOM 0 H PHE A 407 2.599 -8.739 5.180 1.00 0.00 H new ATOM 0 HA PHE A 407 1.989 -9.719 2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.550 -10.847 5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 407 1.066 -11.654 3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 407 4.084 -10.229 5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 407 2.554 -13.088 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 407 6.315 -11.236 5.299 1.00 0.00 H new ATOM 0 HE2 PHE A 407 4.786 -14.101 2.536 1.00 0.00 H new ATOM 0 HZ PHE A 407 6.667 -13.180 3.829 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.601 -9.632 2.601 1.00 0.00 N ATOM 1228 CA PRO A 408 -2.020 -9.269 2.518 1.00 0.00 C ATOM 1229 C PRO A 408 -2.841 -9.826 3.679 1.00 0.00 C ATOM 1230 O PRO A 408 -2.637 -10.963 4.118 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.478 -9.898 1.198 1.00 0.00 C ATOM 1232 CG PRO A 408 -1.534 -11.028 0.973 1.00 0.00 C ATOM 1233 CD PRO A 408 -0.215 -10.582 1.539 1.00 0.00 C ATOM 0 HA PRO A 408 -2.158 -8.189 2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -3.508 -10.249 1.262 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -2.437 -9.178 0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.885 -11.934 1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -1.446 -11.258 -0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.355 -11.421 1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 408 0.407 -10.106 0.781 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.769 -9.016 4.165 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.659 -9.404 5.248 1.00 0.00 C ATOM 1243 C GLU A 409 -6.031 -8.779 5.028 1.00 0.00 C ATOM 1244 O GLU A 409 -6.223 -8.023 4.075 1.00 0.00 O ATOM 1245 CB GLU A 409 -4.076 -8.950 6.590 1.00 0.00 C ATOM 1246 CG GLU A 409 -3.426 -7.573 6.541 1.00 0.00 C ATOM 1247 CD GLU A 409 -3.727 -6.745 7.771 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -4.836 -6.183 7.861 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -2.849 -6.648 8.655 1.00 0.00 O ATOM 0 H GLU A 409 -3.926 -8.070 3.819 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.762 -10.489 5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -4.870 -8.941 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -3.337 -9.680 6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -2.347 -7.688 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -3.775 -7.042 5.655 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.989 -9.103 5.883 1.00 0.00 N ATOM 1257 CA ALA A 410 -8.295 -8.467 5.818 1.00 0.00 C ATOM 1258 C ALA A 410 -8.370 -7.339 6.839 1.00 0.00 C ATOM 1259 O ALA A 410 -8.412 -7.583 8.046 1.00 0.00 O ATOM 1260 CB ALA A 410 -9.403 -9.482 6.056 1.00 0.00 C ATOM 0 H ALA A 410 -6.888 -9.797 6.624 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.433 -8.050 4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -10.371 -8.983 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -9.353 -10.260 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -9.280 -9.931 7.042 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.387 -6.110 6.352 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.370 -4.946 7.225 1.00 0.00 C ATOM 1268 C ALA A 411 -9.778 -4.568 7.679 1.00 0.00 C ATOM 1269 O ALA A 411 -10.256 -5.038 8.712 1.00 0.00 O ATOM 1270 CB ALA A 411 -7.698 -3.775 6.526 1.00 0.00 C ATOM 0 H ALA A 411 -8.413 -5.891 5.356 1.00 0.00 H new ATOM 0 HA ALA A 411 -7.795 -5.200 8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -7.692 -2.910 7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.673 -4.044 6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.247 -3.530 5.617 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.437 -3.723 6.901 1.00 0.00 N ATOM 1277 CA LEU A 412 -11.770 -3.249 7.241 1.00 0.00 C ATOM 1278 C LEU A 412 -12.697 -3.389 6.044 1.00 0.00 C ATOM 1279 O LEU A 412 -12.366 -2.953 4.941 1.00 0.00 O ATOM 1280 CB LEU A 412 -11.723 -1.786 7.689 1.00 0.00 C ATOM 1281 CG LEU A 412 -12.765 -1.397 8.740 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -12.258 -1.715 10.137 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -13.126 0.078 8.625 1.00 0.00 C ATOM 0 H LEU A 412 -10.068 -3.350 6.026 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.150 -3.856 8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -10.731 -1.576 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -11.856 -1.149 6.814 1.00 0.00 H new ATOM 0 HG LEU A 412 -13.666 -1.983 8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -13.012 -1.432 10.871 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -12.057 -2.783 10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -11.340 -1.158 10.326 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -13.868 0.331 9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -12.233 0.684 8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -13.536 0.276 7.635 1.00 0.00 H new ATOM 1295 N PRO A 413 -13.862 -4.012 6.242 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.852 -4.195 5.187 1.00 0.00 C ATOM 1297 C PRO A 413 -15.610 -2.903 4.886 1.00 0.00 C ATOM 1298 O PRO A 413 -15.709 -2.015 5.738 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.812 -5.257 5.754 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.218 -5.697 7.056 1.00 0.00 C ATOM 1301 CD PRO A 413 -14.317 -4.589 7.509 1.00 0.00 C ATOM 0 HA PRO A 413 -14.388 -4.491 4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.810 -4.843 5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.913 -6.098 5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -15.998 -5.889 7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -14.660 -6.625 6.934 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -14.848 -3.859 8.120 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.485 -4.961 8.107 1.00 0.00 H new ATOM 1309 N THR A 414 -16.137 -2.800 3.675 1.00 0.00 N ATOM 1310 CA THR A 414 -16.935 -1.649 3.286 1.00 0.00 C ATOM 1311 C THR A 414 -18.380 -1.810 3.751 1.00 0.00 C ATOM 1312 O THR A 414 -18.746 -2.842 4.319 1.00 0.00 O ATOM 1313 CB THR A 414 -16.918 -1.452 1.756 1.00 0.00 C ATOM 1314 OG1 THR A 414 -15.909 -2.280 1.169 1.00 0.00 O ATOM 1315 CG2 THR A 414 -16.664 0.003 1.392 1.00 0.00 C ATOM 0 H THR A 414 -16.025 -3.502 2.944 1.00 0.00 H new ATOM 0 HA THR A 414 -16.495 -0.773 3.763 1.00 0.00 H new ATOM 0 HB THR A 414 -17.896 -1.736 1.367 1.00 0.00 H new ATOM 0 HG1 THR A 414 -16.247 -2.665 0.333 1.00 0.00 H new ATOM 0 HG21 THR A 414 -16.658 0.111 0.307 1.00 0.00 H new ATOM 0 HG22 THR A 414 -17.452 0.627 1.814 1.00 0.00 H new ATOM 0 HG23 THR A 414 -15.700 0.316 1.793 1.00 0.00 H new ATOM 1323 N SER A 415 -19.182 -0.781 3.511 1.00 0.00 N ATOM 1324 CA SER A 415 -20.599 -0.795 3.843 1.00 0.00 C ATOM 1325 C SER A 415 -21.296 -2.015 3.239 1.00 0.00 C ATOM 1326 O SER A 415 -21.040 -2.382 2.092 1.00 0.00 O ATOM 1327 CB SER A 415 -21.256 0.491 3.335 1.00 0.00 C ATOM 1328 OG SER A 415 -21.853 1.214 4.398 1.00 0.00 O ATOM 0 H SER A 415 -18.867 0.088 3.080 1.00 0.00 H new ATOM 0 HA SER A 415 -20.700 -0.854 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 415 -20.510 1.114 2.842 1.00 0.00 H new ATOM 0 HB3 SER A 415 -22.011 0.247 2.588 1.00 0.00 H new ATOM 0 HG SER A 415 -22.264 2.032 4.047 1.00 0.00 H new