USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 545 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 111 CYS SG : rot -128:sc= 0.343 USER MOD Set 1.2: A 115 CYS SG : rot 127:sc= 0.785 USER MOD Set 1.3: A 125 CYS SG : rot -152:sc= 0.537 USER MOD Set 1.4: A 128 CYS SG : rot 137:sc= -1.64! USER MOD Set 2.1: A 101 THR OG1 : rot 77:sc= 1.42 USER MOD Set 2.2: A 108 TYR OH : rot 174:sc= 1.21 USER MOD Set 3.1: A 74 CYS SG : rot 162:sc= -1.17 USER MOD Set 3.2: A 77 CYS SG : rot -52:sc= 0.513 USER MOD Set 3.3: A 91 CYS SG : rot -133:sc= 1.29 USER MOD Set 3.4: A 94 CYS SG : rot 88:sc= -2.71 USER MOD Set 4.1: A 85 HIS : no HD1:sc= -2.05 K(o=-2.7,f=-1.1) USER MOD Set 4.2: A 95 LYS NZ :NH3+ -133:sc= -0.603 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 173:sc= -0.925 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 104 MET CE :methyl -125:sc=-0.00218 (180deg=-0.2) USER MOD Single : A 105 LYS NZ :NH3+ 164:sc= -0.0163 (180deg=-0.177) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.0262 X(o=-0.026,f=-0.28) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.579 K(o=-0.58,f=-0.035) USER MOD Single : A 123 ASN : amide:sc= -0.942 X(o=-0.94,f=-0.91) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.35) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -2.76! C(o=-2.8!,f=-6.2!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 CYS SG : rot -163:sc= 0.0736 USER MOD Single : A 138 MET CE :methyl -162:sc= 0 (180deg=-0.355) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.941 10.404 -8.092 1.00 0.00 N ATOM 84 CA GLU A 73 7.119 8.959 -8.164 1.00 0.00 C ATOM 85 C GLU A 73 6.078 8.239 -7.312 1.00 0.00 C ATOM 86 O GLU A 73 5.727 8.696 -6.223 1.00 0.00 O ATOM 87 CB GLU A 73 8.526 8.572 -7.704 1.00 0.00 C ATOM 88 CG GLU A 73 9.552 8.564 -8.824 1.00 0.00 C ATOM 89 CD GLU A 73 10.978 8.529 -8.309 1.00 0.00 C ATOM 90 OE1 GLU A 73 11.243 9.140 -7.253 1.00 0.00 O ATOM 91 OE2 GLU A 73 11.829 7.890 -8.963 1.00 0.00 O ATOM 0 HA GLU A 73 6.987 8.654 -9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.850 9.268 -6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.491 7.583 -7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.379 7.698 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.415 9.450 -9.443 1.00 0.00 H new ATOM 98 N CYS A 74 5.587 7.111 -7.815 1.00 0.00 N ATOM 99 CA CYS A 74 4.585 6.328 -7.102 1.00 0.00 C ATOM 100 C CYS A 74 5.170 5.728 -5.827 1.00 0.00 C ATOM 101 O CYS A 74 6.301 5.240 -5.820 1.00 0.00 O ATOM 102 CB CYS A 74 4.044 5.214 -8.001 1.00 0.00 C ATOM 103 SG CYS A 74 2.880 4.087 -7.169 1.00 0.00 S ATOM 0 H CYS A 74 5.867 6.719 -8.714 1.00 0.00 H new ATOM 0 HA CYS A 74 3.767 6.994 -6.827 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.546 5.664 -8.860 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.882 4.634 -8.387 1.00 0.00 H new ATOM 0 HG CYS A 74 2.194 3.436 -8.061 1.00 0.00 H new ATOM 108 N ARG A 75 4.392 5.768 -4.750 1.00 0.00 N ATOM 109 CA ARG A 75 4.833 5.229 -3.469 1.00 0.00 C ATOM 110 C ARG A 75 4.439 3.762 -3.331 1.00 0.00 C ATOM 111 O ARG A 75 4.208 3.271 -2.226 1.00 0.00 O ATOM 112 CB ARG A 75 4.234 6.040 -2.318 1.00 0.00 C ATOM 113 CG ARG A 75 4.390 7.542 -2.485 1.00 0.00 C ATOM 114 CD ARG A 75 5.735 8.024 -1.964 1.00 0.00 C ATOM 115 NE ARG A 75 6.767 7.987 -2.996 1.00 0.00 N ATOM 116 CZ ARG A 75 7.900 8.678 -2.928 1.00 0.00 C ATOM 117 NH1 ARG A 75 8.144 9.456 -1.883 1.00 0.00 N ATOM 118 NH2 ARG A 75 8.790 8.593 -3.908 1.00 0.00 N ATOM 0 H ARG A 75 3.454 6.168 -4.739 1.00 0.00 H new ATOM 0 HA ARG A 75 5.920 5.300 -3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.174 5.801 -2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.708 5.736 -1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.292 7.804 -3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.588 8.054 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.634 9.042 -1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.041 7.403 -1.122 1.00 0.00 H new ATOM 0 HE ARG A 75 6.610 7.398 -3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.461 9.525 -1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.015 9.985 -1.833 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.605 7.997 -4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.659 9.124 -3.855 1.00 0.00 H new ATOM 132 N VAL A 76 4.362 3.066 -4.462 1.00 0.00 N ATOM 133 CA VAL A 76 3.996 1.655 -4.468 1.00 0.00 C ATOM 134 C VAL A 76 4.917 0.852 -5.380 1.00 0.00 C ATOM 135 O VAL A 76 5.311 -0.267 -5.052 1.00 0.00 O ATOM 136 CB VAL A 76 2.538 1.455 -4.924 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.197 -0.026 -4.987 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.584 2.192 -3.996 1.00 0.00 C ATOM 0 H VAL A 76 4.548 3.457 -5.385 1.00 0.00 H new ATOM 0 HA VAL A 76 4.101 1.297 -3.444 1.00 0.00 H new ATOM 0 HB VAL A 76 2.428 1.871 -5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.163 -0.148 -5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.860 -0.522 -5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.323 -0.471 -4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.559 2.040 -4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.694 1.808 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.815 3.257 -4.007 1.00 0.00 H new ATOM 148 N CYS A 77 5.258 1.432 -6.526 1.00 0.00 N ATOM 149 CA CYS A 77 6.133 0.772 -7.487 1.00 0.00 C ATOM 150 C CYS A 77 7.325 1.658 -7.835 1.00 0.00 C ATOM 151 O CYS A 77 8.468 1.203 -7.844 1.00 0.00 O ATOM 152 CB CYS A 77 5.357 0.421 -8.758 1.00 0.00 C ATOM 153 SG CYS A 77 4.765 1.868 -9.692 1.00 0.00 S ATOM 0 H CYS A 77 4.941 2.359 -6.812 1.00 0.00 H new ATOM 0 HA CYS A 77 6.505 -0.146 -7.031 1.00 0.00 H new ATOM 0 HB2 CYS A 77 5.995 -0.180 -9.406 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.502 -0.199 -8.489 1.00 0.00 H new ATOM 0 HG CYS A 77 4.114 2.663 -8.895 1.00 0.00 H new ATOM 158 N GLY A 78 7.050 2.927 -8.120 1.00 0.00 N ATOM 159 CA GLY A 78 8.109 3.857 -8.464 1.00 0.00 C ATOM 160 C GLY A 78 7.753 4.728 -9.652 1.00 0.00 C ATOM 161 O GLY A 78 8.135 5.897 -9.710 1.00 0.00 O ATOM 0 H GLY A 78 6.112 3.328 -8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.325 4.491 -7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.019 3.300 -8.686 1.00 0.00 H new ATOM 165 N ASP A 79 7.020 4.159 -10.602 1.00 0.00 N ATOM 166 CA ASP A 79 6.612 4.891 -11.795 1.00 0.00 C ATOM 167 C ASP A 79 5.971 6.224 -11.422 1.00 0.00 C ATOM 168 O ASP A 79 5.384 6.365 -10.349 1.00 0.00 O ATOM 169 CB ASP A 79 5.635 4.055 -12.624 1.00 0.00 C ATOM 170 CG ASP A 79 5.269 4.723 -13.935 1.00 0.00 C ATOM 171 OD1 ASP A 79 6.101 4.696 -14.866 1.00 0.00 O ATOM 172 OD2 ASP A 79 4.152 5.272 -14.030 1.00 0.00 O ATOM 0 H ASP A 79 6.696 3.192 -10.569 1.00 0.00 H new ATOM 0 HA ASP A 79 7.503 5.091 -12.391 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.078 3.080 -12.828 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.729 3.879 -12.044 1.00 0.00 H new ATOM 177 N LYS A 80 6.089 7.202 -12.315 1.00 0.00 N ATOM 178 CA LYS A 80 5.521 8.524 -12.081 1.00 0.00 C ATOM 179 C LYS A 80 4.159 8.420 -11.403 1.00 0.00 C ATOM 180 O LYS A 80 3.338 7.577 -11.764 1.00 0.00 O ATOM 181 CB LYS A 80 5.388 9.286 -13.401 1.00 0.00 C ATOM 182 CG LYS A 80 5.281 10.791 -13.228 1.00 0.00 C ATOM 183 CD LYS A 80 4.623 11.446 -14.431 1.00 0.00 C ATOM 184 CE LYS A 80 5.561 11.481 -15.628 1.00 0.00 C ATOM 185 NZ LYS A 80 6.458 12.669 -15.595 1.00 0.00 N ATOM 0 H LYS A 80 6.573 7.103 -13.207 1.00 0.00 H new ATOM 0 HA LYS A 80 6.195 9.069 -11.420 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.251 9.062 -14.029 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.506 8.926 -13.931 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.705 11.015 -12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.275 11.213 -13.082 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.717 10.900 -14.693 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.321 12.461 -14.174 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.162 10.572 -15.645 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.976 11.493 -16.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.082 12.656 -16.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.885 13.537 -15.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.035 12.645 -14.730 1.00 0.00 H new ATOM 199 N ALA A 81 3.925 9.282 -10.419 1.00 0.00 N ATOM 200 CA ALA A 81 2.660 9.288 -9.693 1.00 0.00 C ATOM 201 C ALA A 81 1.545 9.894 -10.539 1.00 0.00 C ATOM 202 O ALA A 81 1.234 11.079 -10.417 1.00 0.00 O ATOM 203 CB ALA A 81 2.807 10.051 -8.385 1.00 0.00 C ATOM 0 H ALA A 81 4.594 9.985 -10.106 1.00 0.00 H new ATOM 0 HA ALA A 81 2.391 8.255 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.856 10.048 -7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.569 9.573 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.102 11.079 -8.595 1.00 0.00 H new ATOM 209 N SER A 82 0.947 9.074 -11.397 1.00 0.00 N ATOM 210 CA SER A 82 -0.131 9.530 -12.266 1.00 0.00 C ATOM 211 C SER A 82 -0.994 10.571 -11.560 1.00 0.00 C ATOM 212 O SER A 82 -1.235 11.656 -12.088 1.00 0.00 O ATOM 213 CB SER A 82 -0.995 8.347 -12.707 1.00 0.00 C ATOM 214 OG SER A 82 -2.118 8.786 -13.451 1.00 0.00 O ATOM 0 H SER A 82 1.191 8.090 -11.509 1.00 0.00 H new ATOM 0 HA SER A 82 0.316 9.991 -13.147 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.399 7.663 -13.311 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.330 7.791 -11.832 1.00 0.00 H new ATOM 0 HG SER A 82 -2.654 8.012 -13.723 1.00 0.00 H new ATOM 220 N GLY A 83 -1.459 10.231 -10.361 1.00 0.00 N ATOM 221 CA GLY A 83 -2.291 11.145 -9.601 1.00 0.00 C ATOM 222 C GLY A 83 -2.243 10.870 -8.111 1.00 0.00 C ATOM 223 O GLY A 83 -1.377 10.136 -7.635 1.00 0.00 O ATOM 0 H GLY A 83 -1.274 9.339 -9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.967 12.168 -9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.321 11.068 -9.949 1.00 0.00 H new ATOM 227 N PHE A 84 -3.176 11.461 -7.372 1.00 0.00 N ATOM 228 CA PHE A 84 -3.236 11.277 -5.927 1.00 0.00 C ATOM 229 C PHE A 84 -4.512 10.543 -5.524 1.00 0.00 C ATOM 230 O PHE A 84 -5.534 11.164 -5.234 1.00 0.00 O ATOM 231 CB PHE A 84 -3.168 12.631 -5.216 1.00 0.00 C ATOM 232 CG PHE A 84 -2.862 12.523 -3.750 1.00 0.00 C ATOM 233 CD1 PHE A 84 -1.644 12.024 -3.318 1.00 0.00 C ATOM 234 CD2 PHE A 84 -3.791 12.923 -2.803 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.360 11.923 -1.969 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.513 12.825 -1.453 1.00 0.00 C ATOM 237 CZ PHE A 84 -2.295 12.325 -1.035 1.00 0.00 C ATOM 0 H PHE A 84 -3.901 12.071 -7.750 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.380 10.673 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.405 13.246 -5.694 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.119 13.148 -5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.908 11.710 -4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.744 13.316 -3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.408 11.530 -1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.247 13.139 -0.726 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.074 12.249 0.019 1.00 0.00 H new ATOM 247 N HIS A 85 -4.443 9.215 -5.508 1.00 0.00 N ATOM 248 CA HIS A 85 -5.592 8.395 -5.141 1.00 0.00 C ATOM 249 C HIS A 85 -5.426 7.827 -3.735 1.00 0.00 C ATOM 250 O HIS A 85 -4.308 7.687 -3.239 1.00 0.00 O ATOM 251 CB HIS A 85 -5.774 7.256 -6.146 1.00 0.00 C ATOM 252 CG HIS A 85 -5.695 7.700 -7.574 1.00 0.00 C ATOM 253 ND1 HIS A 85 -6.781 8.182 -8.274 1.00 0.00 N ATOM 254 CD2 HIS A 85 -4.650 7.733 -8.434 1.00 0.00 C ATOM 255 CE1 HIS A 85 -6.408 8.491 -9.503 1.00 0.00 C ATOM 256 NE2 HIS A 85 -5.119 8.229 -9.626 1.00 0.00 N ATOM 0 H HIS A 85 -3.604 8.685 -5.745 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.479 9.028 -5.156 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.011 6.499 -5.967 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.740 6.782 -5.974 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.636 7.426 -8.222 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.048 8.890 -10.276 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.563 8.372 -10.469 1.00 0.00 H new ATOM 264 N TYR A 86 -6.546 7.502 -3.098 1.00 0.00 N ATOM 265 CA TYR A 86 -6.525 6.952 -1.748 1.00 0.00 C ATOM 266 C TYR A 86 -5.721 7.845 -0.808 1.00 0.00 C ATOM 267 O TYR A 86 -5.175 7.382 0.192 1.00 0.00 O ATOM 268 CB TYR A 86 -5.933 5.541 -1.758 1.00 0.00 C ATOM 269 CG TYR A 86 -6.585 4.618 -2.763 1.00 0.00 C ATOM 270 CD1 TYR A 86 -7.775 3.965 -2.466 1.00 0.00 C ATOM 271 CD2 TYR A 86 -6.011 4.399 -4.009 1.00 0.00 C ATOM 272 CE1 TYR A 86 -8.374 3.121 -3.380 1.00 0.00 C ATOM 273 CE2 TYR A 86 -6.604 3.557 -4.930 1.00 0.00 C ATOM 274 CZ TYR A 86 -7.785 2.921 -4.611 1.00 0.00 C ATOM 275 OH TYR A 86 -8.378 2.080 -5.525 1.00 0.00 O ATOM 0 H TYR A 86 -7.479 7.610 -3.495 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.552 6.906 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.867 5.605 -1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.031 5.108 -0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.240 4.120 -1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -5.086 4.895 -4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -9.298 2.620 -3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.145 3.398 -5.895 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.899 2.134 -6.378 1.00 0.00 H new ATOM 285 N GLY A 87 -5.654 9.132 -1.138 1.00 0.00 N ATOM 286 CA GLY A 87 -4.917 10.072 -0.314 1.00 0.00 C ATOM 287 C GLY A 87 -3.434 9.760 -0.265 1.00 0.00 C ATOM 288 O GLY A 87 -2.723 10.229 0.623 1.00 0.00 O ATOM 0 H GLY A 87 -6.097 9.540 -1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.061 11.081 -0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.322 10.059 0.698 1.00 0.00 H new ATOM 292 N VAL A 88 -2.966 8.964 -1.222 1.00 0.00 N ATOM 293 CA VAL A 88 -1.558 8.589 -1.284 1.00 0.00 C ATOM 294 C VAL A 88 -1.028 8.682 -2.710 1.00 0.00 C ATOM 295 O VAL A 88 -1.640 8.167 -3.646 1.00 0.00 O ATOM 296 CB VAL A 88 -1.334 7.160 -0.756 1.00 0.00 C ATOM 297 CG1 VAL A 88 -1.937 6.138 -1.708 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.149 6.897 -0.546 1.00 0.00 C ATOM 0 H VAL A 88 -3.541 8.567 -1.965 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.015 9.291 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.836 7.063 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.769 5.134 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.008 6.316 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.467 6.231 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.289 5.883 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.676 7.011 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.546 7.608 0.178 1.00 0.00 H new ATOM 308 N HIS A 89 0.116 9.340 -2.869 1.00 0.00 N ATOM 309 CA HIS A 89 0.731 9.499 -4.182 1.00 0.00 C ATOM 310 C HIS A 89 0.988 8.142 -4.829 1.00 0.00 C ATOM 311 O HIS A 89 1.972 7.471 -4.519 1.00 0.00 O ATOM 312 CB HIS A 89 2.042 10.277 -4.064 1.00 0.00 C ATOM 313 CG HIS A 89 1.873 11.760 -4.193 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.723 12.597 -3.108 1.00 0.00 N ATOM 315 CD2 HIS A 89 1.831 12.554 -5.288 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.595 13.843 -3.530 1.00 0.00 C ATOM 317 NE2 HIS A 89 1.658 13.844 -4.850 1.00 0.00 N ATOM 0 H HIS A 89 0.636 9.772 -2.105 1.00 0.00 H new ATOM 0 HA HIS A 89 0.041 10.058 -4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.501 10.054 -3.101 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.731 9.930 -4.834 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.917 12.233 -6.316 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.462 14.712 -2.903 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.589 14.669 -5.446 1.00 0.00 H new ATOM 325 N ALA A 90 0.095 7.743 -5.730 1.00 0.00 N ATOM 326 CA ALA A 90 0.226 6.466 -6.421 1.00 0.00 C ATOM 327 C ALA A 90 -0.005 6.628 -7.920 1.00 0.00 C ATOM 328 O ALA A 90 -0.485 7.666 -8.376 1.00 0.00 O ATOM 329 CB ALA A 90 -0.746 5.450 -5.842 1.00 0.00 C ATOM 0 H ALA A 90 -0.726 8.286 -5.998 1.00 0.00 H new ATOM 0 HA ALA A 90 1.243 6.103 -6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.637 4.501 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.532 5.305 -4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.766 5.815 -5.960 1.00 0.00 H new ATOM 335 N CYS A 91 0.340 5.595 -8.682 1.00 0.00 N ATOM 336 CA CYS A 91 0.172 5.623 -10.130 1.00 0.00 C ATOM 337 C CYS A 91 -1.089 4.870 -10.545 1.00 0.00 C ATOM 338 O CYS A 91 -1.730 4.215 -9.724 1.00 0.00 O ATOM 339 CB CYS A 91 1.394 5.011 -10.818 1.00 0.00 C ATOM 340 SG CYS A 91 1.508 3.200 -10.659 1.00 0.00 S ATOM 0 H CYS A 91 0.738 4.728 -8.320 1.00 0.00 H new ATOM 0 HA CYS A 91 0.072 6.663 -10.440 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.370 5.271 -11.876 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.295 5.459 -10.400 1.00 0.00 H new ATOM 0 HG CYS A 91 2.717 2.870 -10.313 1.00 0.00 H new ATOM 345 N GLU A 92 -1.436 4.969 -11.824 1.00 0.00 N ATOM 346 CA GLU A 92 -2.620 4.298 -12.348 1.00 0.00 C ATOM 347 C GLU A 92 -2.488 2.783 -12.219 1.00 0.00 C ATOM 348 O GLU A 92 -3.380 2.113 -11.699 1.00 0.00 O ATOM 349 CB GLU A 92 -2.844 4.679 -13.813 1.00 0.00 C ATOM 350 CG GLU A 92 -1.653 4.381 -14.708 1.00 0.00 C ATOM 351 CD GLU A 92 -1.838 4.905 -16.119 1.00 0.00 C ATOM 352 OE1 GLU A 92 -1.565 6.102 -16.347 1.00 0.00 O ATOM 353 OE2 GLU A 92 -2.256 4.118 -16.994 1.00 0.00 O ATOM 0 H GLU A 92 -0.915 5.507 -12.516 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.479 4.622 -11.761 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.715 4.142 -14.190 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.075 5.743 -13.872 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.757 4.825 -14.274 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.490 3.304 -14.743 1.00 0.00 H new ATOM 360 N GLY A 93 -1.369 2.249 -12.698 1.00 0.00 N ATOM 361 CA GLY A 93 -1.140 0.818 -12.629 1.00 0.00 C ATOM 362 C GLY A 93 -1.482 0.242 -11.269 1.00 0.00 C ATOM 363 O GLY A 93 -2.465 -0.485 -11.123 1.00 0.00 O ATOM 0 H GLY A 93 -0.616 2.783 -13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.738 0.320 -13.392 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.095 0.609 -12.857 1.00 0.00 H new ATOM 367 N CYS A 94 -0.668 0.565 -10.269 1.00 0.00 N ATOM 368 CA CYS A 94 -0.887 0.073 -8.915 1.00 0.00 C ATOM 369 C CYS A 94 -2.362 0.166 -8.534 1.00 0.00 C ATOM 370 O CYS A 94 -2.985 -0.831 -8.169 1.00 0.00 O ATOM 371 CB CYS A 94 -0.041 0.868 -7.918 1.00 0.00 C ATOM 372 SG CYS A 94 1.751 0.572 -8.063 1.00 0.00 S ATOM 0 H CYS A 94 0.150 1.166 -10.372 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.587 -0.974 -8.883 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -0.236 1.931 -8.059 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.359 0.617 -6.906 1.00 0.00 H new ATOM 0 HG CYS A 94 2.258 1.395 -8.932 1.00 0.00 H new ATOM 377 N LYS A 95 -2.915 1.371 -8.622 1.00 0.00 N ATOM 378 CA LYS A 95 -4.316 1.597 -8.289 1.00 0.00 C ATOM 379 C LYS A 95 -5.170 0.398 -8.690 1.00 0.00 C ATOM 380 O LYS A 95 -5.878 -0.177 -7.863 1.00 0.00 O ATOM 381 CB LYS A 95 -4.831 2.858 -8.985 1.00 0.00 C ATOM 382 CG LYS A 95 -6.306 3.128 -8.744 1.00 0.00 C ATOM 383 CD LYS A 95 -6.935 3.872 -9.909 1.00 0.00 C ATOM 384 CE LYS A 95 -6.613 5.358 -9.861 1.00 0.00 C ATOM 385 NZ LYS A 95 -6.876 6.025 -11.166 1.00 0.00 N ATOM 0 H LYS A 95 -2.413 2.207 -8.922 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.390 1.730 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.253 3.715 -8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.658 2.767 -10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.829 2.184 -8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.425 3.712 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.575 3.451 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.016 3.732 -9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.210 5.834 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.567 5.494 -9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.065 6.625 -11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.016 5.304 -11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.731 6.613 -11.090 1.00 0.00 H new ATOM 399 N GLY A 96 -5.098 0.025 -9.964 1.00 0.00 N ATOM 400 CA GLY A 96 -5.868 -1.105 -10.451 1.00 0.00 C ATOM 401 C GLY A 96 -5.633 -2.361 -9.636 1.00 0.00 C ATOM 402 O GLY A 96 -6.565 -3.121 -9.371 1.00 0.00 O ATOM 0 H GLY A 96 -4.520 0.485 -10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.929 -0.854 -10.429 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.607 -1.297 -11.492 1.00 0.00 H new ATOM 406 N PHE A 97 -4.385 -2.582 -9.238 1.00 0.00 N ATOM 407 CA PHE A 97 -4.030 -3.757 -8.451 1.00 0.00 C ATOM 408 C PHE A 97 -4.661 -3.693 -7.063 1.00 0.00 C ATOM 409 O PHE A 97 -5.302 -4.644 -6.615 1.00 0.00 O ATOM 410 CB PHE A 97 -2.509 -3.874 -8.327 1.00 0.00 C ATOM 411 CG PHE A 97 -2.066 -4.779 -7.213 1.00 0.00 C ATOM 412 CD1 PHE A 97 -1.933 -4.295 -5.922 1.00 0.00 C ATOM 413 CD2 PHE A 97 -1.782 -6.113 -7.458 1.00 0.00 C ATOM 414 CE1 PHE A 97 -1.525 -5.125 -4.894 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.375 -6.947 -6.434 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.245 -6.453 -5.151 1.00 0.00 C ATOM 0 H PHE A 97 -3.602 -1.963 -9.448 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.415 -4.638 -8.966 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.103 -4.244 -9.268 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.088 -2.881 -8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.150 -3.257 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.880 -6.505 -8.460 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.425 -4.735 -3.892 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.159 -7.985 -6.637 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.925 -7.103 -4.350 1.00 0.00 H new ATOM 426 N PHE A 98 -4.474 -2.564 -6.386 1.00 0.00 N ATOM 427 CA PHE A 98 -5.022 -2.375 -5.048 1.00 0.00 C ATOM 428 C PHE A 98 -6.539 -2.545 -5.054 1.00 0.00 C ATOM 429 O PHE A 98 -7.081 -3.399 -4.351 1.00 0.00 O ATOM 430 CB PHE A 98 -4.655 -0.989 -4.515 1.00 0.00 C ATOM 431 CG PHE A 98 -5.167 -0.726 -3.127 1.00 0.00 C ATOM 432 CD1 PHE A 98 -4.591 -1.349 -2.032 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.225 0.144 -2.919 1.00 0.00 C ATOM 434 CE1 PHE A 98 -5.060 -1.109 -0.754 1.00 0.00 C ATOM 435 CE2 PHE A 98 -6.697 0.389 -1.643 1.00 0.00 C ATOM 436 CZ PHE A 98 -6.115 -0.240 -0.560 1.00 0.00 C ATOM 0 H PHE A 98 -3.947 -1.767 -6.742 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.591 -3.133 -4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.570 -0.882 -4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -5.053 -0.232 -5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.766 -2.030 -2.178 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.686 0.636 -3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.602 -1.601 0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.520 1.072 -1.493 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.485 -0.052 0.437 1.00 0.00 H new ATOM 446 N ARG A 99 -7.217 -1.726 -5.850 1.00 0.00 N ATOM 447 CA ARG A 99 -8.671 -1.784 -5.946 1.00 0.00 C ATOM 448 C ARG A 99 -9.135 -3.185 -6.333 1.00 0.00 C ATOM 449 O ARG A 99 -9.978 -3.778 -5.660 1.00 0.00 O ATOM 450 CB ARG A 99 -9.177 -0.767 -6.971 1.00 0.00 C ATOM 451 CG ARG A 99 -10.692 -0.702 -7.068 1.00 0.00 C ATOM 452 CD ARG A 99 -11.148 0.514 -7.858 1.00 0.00 C ATOM 453 NE ARG A 99 -10.881 0.371 -9.287 1.00 0.00 N ATOM 454 CZ ARG A 99 -11.598 0.969 -10.232 1.00 0.00 C ATOM 455 NH1 ARG A 99 -12.619 1.747 -9.902 1.00 0.00 N ATOM 456 NH2 ARG A 99 -11.293 0.789 -11.511 1.00 0.00 N ATOM 0 H ARG A 99 -6.783 -1.014 -6.438 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.084 -1.540 -4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.796 0.220 -6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.769 -1.017 -7.950 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.066 -1.608 -7.545 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.121 -0.668 -6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.216 0.668 -7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.640 1.402 -7.482 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.101 -0.220 -9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.856 1.888 -8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.168 2.205 -10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.508 0.191 -11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.844 1.248 -12.236 1.00 0.00 H new ATOM 470 N ARG A 100 -8.579 -3.708 -7.421 1.00 0.00 N ATOM 471 CA ARG A 100 -8.937 -5.038 -7.898 1.00 0.00 C ATOM 472 C ARG A 100 -8.950 -6.043 -6.750 1.00 0.00 C ATOM 473 O ARG A 100 -9.926 -6.768 -6.554 1.00 0.00 O ATOM 474 CB ARG A 100 -7.957 -5.496 -8.980 1.00 0.00 C ATOM 475 CG ARG A 100 -8.256 -6.884 -9.524 1.00 0.00 C ATOM 476 CD ARG A 100 -7.572 -7.116 -10.862 1.00 0.00 C ATOM 477 NE ARG A 100 -7.212 -8.518 -11.057 1.00 0.00 N ATOM 478 CZ ARG A 100 -6.281 -8.926 -11.913 1.00 0.00 C ATOM 479 NH1 ARG A 100 -5.619 -8.043 -12.648 1.00 0.00 N ATOM 480 NH2 ARG A 100 -6.010 -10.219 -12.033 1.00 0.00 N ATOM 0 H ARG A 100 -7.879 -3.231 -7.989 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.939 -4.986 -8.323 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.976 -4.781 -9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.947 -5.485 -8.571 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.923 -7.636 -8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.333 -7.007 -9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.233 -6.796 -11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.675 -6.500 -10.922 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.702 -9.223 -10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.824 -7.048 -12.557 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.905 -8.359 -13.304 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.516 -10.901 -11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.295 -10.531 -12.690 1.00 0.00 H new ATOM 494 N THR A 101 -7.858 -6.081 -5.991 1.00 0.00 N ATOM 495 CA THR A 101 -7.742 -6.997 -4.864 1.00 0.00 C ATOM 496 C THR A 101 -8.869 -6.779 -3.860 1.00 0.00 C ATOM 497 O THR A 101 -9.314 -7.717 -3.199 1.00 0.00 O ATOM 498 CB THR A 101 -6.391 -6.833 -4.143 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.317 -7.136 -5.042 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.312 -7.743 -2.927 1.00 0.00 C ATOM 0 H THR A 101 -7.042 -5.487 -6.137 1.00 0.00 H new ATOM 0 HA THR A 101 -7.809 -8.006 -5.270 1.00 0.00 H new ATOM 0 HB THR A 101 -6.305 -5.799 -3.809 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.180 -6.383 -5.654 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.349 -7.609 -2.434 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.113 -7.492 -2.232 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.417 -8.781 -3.242 1.00 0.00 H new ATOM 508 N ILE A 102 -9.328 -5.536 -3.754 1.00 0.00 N ATOM 509 CA ILE A 102 -10.405 -5.197 -2.832 1.00 0.00 C ATOM 510 C ILE A 102 -11.764 -5.573 -3.412 1.00 0.00 C ATOM 511 O ILE A 102 -12.451 -6.451 -2.890 1.00 0.00 O ATOM 512 CB ILE A 102 -10.402 -3.695 -2.492 1.00 0.00 C ATOM 513 CG1 ILE A 102 -9.064 -3.293 -1.869 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.551 -3.362 -1.552 1.00 0.00 C ATOM 515 CD1 ILE A 102 -8.836 -3.881 -0.494 1.00 0.00 C ATOM 0 H ILE A 102 -8.971 -4.748 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.232 -5.768 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.537 -3.129 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.256 -3.609 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.015 -2.206 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.535 -2.297 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.497 -3.616 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.445 -3.935 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.868 -3.554 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.623 -3.545 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.852 -4.969 -0.556 1.00 0.00 H new ATOM 527 N ARG A 103 -12.145 -4.903 -4.495 1.00 0.00 N ATOM 528 CA ARG A 103 -13.422 -5.168 -5.147 1.00 0.00 C ATOM 529 C ARG A 103 -13.610 -6.663 -5.388 1.00 0.00 C ATOM 530 O ARG A 103 -14.724 -7.179 -5.309 1.00 0.00 O ATOM 531 CB ARG A 103 -13.507 -4.412 -6.474 1.00 0.00 C ATOM 532 CG ARG A 103 -12.499 -4.882 -7.509 1.00 0.00 C ATOM 533 CD ARG A 103 -12.663 -4.138 -8.825 1.00 0.00 C ATOM 534 NE ARG A 103 -13.783 -4.652 -9.609 1.00 0.00 N ATOM 535 CZ ARG A 103 -13.983 -4.355 -10.888 1.00 0.00 C ATOM 536 NH1 ARG A 103 -13.142 -3.550 -11.524 1.00 0.00 N ATOM 537 NH2 ARG A 103 -15.025 -4.862 -11.534 1.00 0.00 N ATOM 0 H ARG A 103 -11.588 -4.173 -4.939 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.217 -4.821 -4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.512 -4.523 -6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.354 -3.349 -6.287 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.489 -4.732 -7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.621 -5.952 -7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.817 -3.078 -8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.745 -4.223 -9.406 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.448 -5.273 -9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.340 -3.158 -11.031 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.297 -3.323 -12.506 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.674 -5.481 -11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -15.177 -4.633 -12.516 1.00 0.00 H new ATOM 551 N MET A 104 -12.512 -7.352 -5.683 1.00 0.00 N ATOM 552 CA MET A 104 -12.557 -8.788 -5.935 1.00 0.00 C ATOM 553 C MET A 104 -12.382 -9.573 -4.639 1.00 0.00 C ATOM 554 O MET A 104 -12.728 -10.752 -4.564 1.00 0.00 O ATOM 555 CB MET A 104 -11.470 -9.185 -6.936 1.00 0.00 C ATOM 556 CG MET A 104 -11.629 -8.529 -8.298 1.00 0.00 C ATOM 557 SD MET A 104 -10.551 -9.254 -9.548 1.00 0.00 S ATOM 558 CE MET A 104 -11.390 -10.805 -9.860 1.00 0.00 C ATOM 0 H MET A 104 -11.582 -6.940 -5.753 1.00 0.00 H new ATOM 0 HA MET A 104 -13.534 -9.028 -6.355 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.496 -8.920 -6.526 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.480 -10.268 -7.060 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.666 -8.619 -8.622 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.414 -7.464 -8.211 1.00 0.00 H new ATOM 0 HE1 MET A 104 -10.694 -11.631 -9.714 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.228 -10.911 -9.171 1.00 0.00 H new ATOM 0 HE3 MET A 104 -11.760 -10.819 -10.885 1.00 0.00 H new ATOM 568 N LYS A 105 -11.844 -8.912 -3.620 1.00 0.00 N ATOM 569 CA LYS A 105 -11.624 -9.547 -2.326 1.00 0.00 C ATOM 570 C LYS A 105 -10.715 -10.764 -2.465 1.00 0.00 C ATOM 571 O LYS A 105 -10.910 -11.777 -1.791 1.00 0.00 O ATOM 572 CB LYS A 105 -12.959 -9.962 -1.705 1.00 0.00 C ATOM 573 CG LYS A 105 -13.644 -8.848 -0.932 1.00 0.00 C ATOM 574 CD LYS A 105 -13.082 -8.718 0.473 1.00 0.00 C ATOM 575 CE LYS A 105 -13.992 -7.885 1.363 1.00 0.00 C ATOM 576 NZ LYS A 105 -15.250 -8.608 1.700 1.00 0.00 N ATOM 0 H LYS A 105 -11.552 -7.936 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.136 -8.824 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.626 -10.307 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.792 -10.807 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.519 -7.905 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.715 -9.045 -0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.954 -9.709 0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.094 -8.259 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.465 -7.626 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.234 -6.949 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.713 -8.142 2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.888 -8.595 0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.028 -9.593 1.950 1.00 0.00 H new ATOM 590 N LEU A 106 -9.721 -10.658 -3.340 1.00 0.00 N ATOM 591 CA LEU A 106 -8.780 -11.750 -3.565 1.00 0.00 C ATOM 592 C LEU A 106 -7.835 -11.908 -2.379 1.00 0.00 C ATOM 593 O LEU A 106 -7.361 -10.922 -1.815 1.00 0.00 O ATOM 594 CB LEU A 106 -7.977 -11.501 -4.843 1.00 0.00 C ATOM 595 CG LEU A 106 -8.792 -11.318 -6.124 1.00 0.00 C ATOM 596 CD1 LEU A 106 -7.915 -10.773 -7.241 1.00 0.00 C ATOM 597 CD2 LEU A 106 -9.433 -12.634 -6.540 1.00 0.00 C ATOM 0 H LEU A 106 -9.546 -9.827 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.351 -12.672 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.365 -10.611 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.294 -12.338 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.585 -10.596 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.512 -10.649 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.504 -9.809 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.100 -11.470 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.009 -12.485 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.656 -13.377 -6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.094 -12.983 -5.747 1.00 0.00 H new ATOM 609 N GLU A 107 -7.564 -13.155 -2.007 1.00 0.00 N ATOM 610 CA GLU A 107 -6.673 -13.442 -0.889 1.00 0.00 C ATOM 611 C GLU A 107 -5.296 -13.872 -1.386 1.00 0.00 C ATOM 612 O GLU A 107 -5.131 -14.241 -2.549 1.00 0.00 O ATOM 613 CB GLU A 107 -7.271 -14.534 0.001 1.00 0.00 C ATOM 614 CG GLU A 107 -6.349 -14.974 1.126 1.00 0.00 C ATOM 615 CD GLU A 107 -7.018 -15.943 2.083 1.00 0.00 C ATOM 616 OE1 GLU A 107 -8.071 -15.583 2.650 1.00 0.00 O ATOM 617 OE2 GLU A 107 -6.489 -17.059 2.263 1.00 0.00 O ATOM 0 H GLU A 107 -7.949 -13.982 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.559 -12.529 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.205 -14.171 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.517 -15.399 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.462 -15.443 0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.012 -14.097 1.679 1.00 0.00 H new ATOM 624 N TYR A 108 -4.311 -13.821 -0.496 1.00 0.00 N ATOM 625 CA TYR A 108 -2.947 -14.202 -0.844 1.00 0.00 C ATOM 626 C TYR A 108 -2.313 -15.034 0.267 1.00 0.00 C ATOM 627 O TYR A 108 -2.908 -15.229 1.326 1.00 0.00 O ATOM 628 CB TYR A 108 -2.099 -12.957 -1.111 1.00 0.00 C ATOM 629 CG TYR A 108 -2.697 -12.028 -2.144 1.00 0.00 C ATOM 630 CD1 TYR A 108 -3.153 -12.514 -3.363 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.806 -10.665 -1.900 1.00 0.00 C ATOM 632 CE1 TYR A 108 -3.699 -11.668 -4.310 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.352 -9.812 -2.840 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.796 -10.318 -4.043 1.00 0.00 C ATOM 635 OH TYR A 108 -4.340 -9.473 -4.983 1.00 0.00 O ATOM 0 H TYR A 108 -4.431 -13.520 0.471 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.986 -14.808 -1.749 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.966 -12.411 -0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.108 -13.267 -1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.080 -13.571 -3.574 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.458 -10.265 -0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.048 -12.062 -5.253 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.430 -8.755 -2.633 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.425 -8.573 -4.604 1.00 0.00 H new ATOM 645 N GLU A 109 -1.102 -15.520 0.016 1.00 0.00 N ATOM 646 CA GLU A 109 -0.387 -16.330 0.995 1.00 0.00 C ATOM 647 C GLU A 109 0.676 -15.504 1.714 1.00 0.00 C ATOM 648 O GLU A 109 1.420 -14.748 1.088 1.00 0.00 O ATOM 649 CB GLU A 109 0.264 -17.536 0.313 1.00 0.00 C ATOM 650 CG GLU A 109 0.507 -18.707 1.251 1.00 0.00 C ATOM 651 CD GLU A 109 1.699 -19.548 0.837 1.00 0.00 C ATOM 652 OE1 GLU A 109 2.799 -18.978 0.675 1.00 0.00 O ATOM 653 OE2 GLU A 109 1.533 -20.774 0.675 1.00 0.00 O ATOM 0 H GLU A 109 -0.596 -15.367 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.108 -16.683 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.372 -17.865 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.214 -17.227 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.666 -18.331 2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.383 -19.335 1.280 1.00 0.00 H new ATOM 660 N LYS A 110 0.741 -15.653 3.032 1.00 0.00 N ATOM 661 CA LYS A 110 1.711 -14.922 3.839 1.00 0.00 C ATOM 662 C LYS A 110 3.115 -15.059 3.257 1.00 0.00 C ATOM 663 O LYS A 110 3.676 -16.154 3.215 1.00 0.00 O ATOM 664 CB LYS A 110 1.693 -15.432 5.282 1.00 0.00 C ATOM 665 CG LYS A 110 2.447 -14.539 6.252 1.00 0.00 C ATOM 666 CD LYS A 110 2.564 -15.180 7.624 1.00 0.00 C ATOM 667 CE LYS A 110 1.264 -15.067 8.405 1.00 0.00 C ATOM 668 NZ LYS A 110 1.442 -15.438 9.836 1.00 0.00 N ATOM 0 H LYS A 110 0.133 -16.274 3.565 1.00 0.00 H new ATOM 0 HA LYS A 110 1.434 -13.868 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.659 -15.523 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.126 -16.432 5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.443 -14.333 5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.935 -13.581 6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.833 -16.230 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.368 -14.701 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.888 -14.046 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.512 -15.714 7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.533 -15.348 10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.776 -16.421 9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 2.141 -14.805 10.274 1.00 0.00 H new ATOM 682 N CYS A 111 3.677 -13.940 2.812 1.00 0.00 N ATOM 683 CA CYS A 111 5.015 -13.935 2.234 1.00 0.00 C ATOM 684 C CYS A 111 6.026 -13.338 3.209 1.00 0.00 C ATOM 685 O CYS A 111 6.207 -12.122 3.263 1.00 0.00 O ATOM 686 CB CYS A 111 5.025 -13.144 0.924 1.00 0.00 C ATOM 687 SG CYS A 111 6.639 -13.123 0.080 1.00 0.00 S ATOM 0 H CYS A 111 3.226 -13.025 2.841 1.00 0.00 H new ATOM 0 HA CYS A 111 5.299 -14.967 2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.280 -13.568 0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 111 4.721 -12.118 1.130 1.00 0.00 H new ATOM 0 HG CYS A 111 6.974 -11.895 -0.185 1.00 0.00 H new ATOM 692 N GLU A 112 6.682 -14.203 3.976 1.00 0.00 N ATOM 693 CA GLU A 112 7.674 -13.760 4.949 1.00 0.00 C ATOM 694 C GLU A 112 8.841 -13.062 4.257 1.00 0.00 C ATOM 695 O GLU A 112 9.298 -12.008 4.701 1.00 0.00 O ATOM 696 CB GLU A 112 8.187 -14.949 5.764 1.00 0.00 C ATOM 697 CG GLU A 112 7.218 -15.417 6.836 1.00 0.00 C ATOM 698 CD GLU A 112 7.856 -16.376 7.822 1.00 0.00 C ATOM 699 OE1 GLU A 112 8.401 -17.408 7.378 1.00 0.00 O ATOM 700 OE2 GLU A 112 7.810 -16.094 9.038 1.00 0.00 O ATOM 0 H GLU A 112 6.545 -15.213 3.943 1.00 0.00 H new ATOM 0 HA GLU A 112 7.194 -13.048 5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.396 -15.778 5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.131 -14.675 6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.833 -14.551 7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.365 -15.903 6.362 1.00 0.00 H new ATOM 707 N ARG A 113 9.317 -13.657 3.169 1.00 0.00 N ATOM 708 CA ARG A 113 10.432 -13.093 2.416 1.00 0.00 C ATOM 709 C ARG A 113 10.368 -11.569 2.410 1.00 0.00 C ATOM 710 O ARG A 113 11.375 -10.895 2.623 1.00 0.00 O ATOM 711 CB ARG A 113 10.424 -13.621 0.980 1.00 0.00 C ATOM 712 CG ARG A 113 11.208 -14.911 0.801 1.00 0.00 C ATOM 713 CD ARG A 113 10.344 -16.131 1.078 1.00 0.00 C ATOM 714 NE ARG A 113 9.208 -16.216 0.164 1.00 0.00 N ATOM 715 CZ ARG A 113 8.567 -17.347 -0.108 1.00 0.00 C ATOM 716 NH1 ARG A 113 8.947 -18.483 0.462 1.00 0.00 N ATOM 717 NH2 ARG A 113 7.542 -17.344 -0.950 1.00 0.00 N ATOM 0 H ARG A 113 8.949 -14.529 2.789 1.00 0.00 H new ATOM 0 HA ARG A 113 11.358 -13.398 2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.393 -13.786 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 113 10.838 -12.859 0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.598 -14.963 -0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 113 12.067 -14.912 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 113 10.950 -17.032 0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 113 9.981 -16.092 2.105 1.00 0.00 H new ATOM 0 HE ARG A 113 8.890 -15.360 -0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 113 9.734 -18.490 1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 113 8.453 -19.350 0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 113 7.245 -16.473 -1.389 1.00 0.00 H new ATOM 0 HH22 ARG A 113 7.050 -18.213 -1.158 1.00 0.00 H new ATOM 731 N SER A 114 9.177 -11.033 2.162 1.00 0.00 N ATOM 732 CA SER A 114 8.983 -9.588 2.123 1.00 0.00 C ATOM 733 C SER A 114 9.593 -8.992 0.859 1.00 0.00 C ATOM 734 O SER A 114 10.299 -7.984 0.911 1.00 0.00 O ATOM 735 CB SER A 114 9.603 -8.935 3.360 1.00 0.00 C ATOM 736 OG SER A 114 9.025 -7.666 3.610 1.00 0.00 O ATOM 0 H SER A 114 8.333 -11.577 1.985 1.00 0.00 H new ATOM 0 HA SER A 114 7.911 -9.390 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.460 -9.581 4.226 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.678 -8.827 3.218 1.00 0.00 H new ATOM 0 HG SER A 114 9.437 -7.270 4.406 1.00 0.00 H new ATOM 742 N CYS A 115 9.318 -9.622 -0.278 1.00 0.00 N ATOM 743 CA CYS A 115 9.839 -9.156 -1.558 1.00 0.00 C ATOM 744 C CYS A 115 9.807 -7.632 -1.635 1.00 0.00 C ATOM 745 O CYS A 115 8.876 -6.993 -1.146 1.00 0.00 O ATOM 746 CB CYS A 115 9.029 -9.753 -2.710 1.00 0.00 C ATOM 747 SG CYS A 115 8.664 -11.528 -2.521 1.00 0.00 S ATOM 0 H CYS A 115 8.737 -10.458 -0.339 1.00 0.00 H new ATOM 0 HA CYS A 115 10.875 -9.485 -1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.090 -9.207 -2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.576 -9.603 -3.641 1.00 0.00 H new ATOM 0 HG CYS A 115 7.385 -11.723 -2.644 1.00 0.00 H new ATOM 752 N LYS A 116 10.832 -7.056 -2.255 1.00 0.00 N ATOM 753 CA LYS A 116 10.923 -5.608 -2.399 1.00 0.00 C ATOM 754 C LYS A 116 10.278 -5.150 -3.703 1.00 0.00 C ATOM 755 O LYS A 116 10.798 -5.408 -4.789 1.00 0.00 O ATOM 756 CB LYS A 116 12.386 -5.161 -2.357 1.00 0.00 C ATOM 757 CG LYS A 116 12.569 -3.718 -1.922 1.00 0.00 C ATOM 758 CD LYS A 116 13.922 -3.500 -1.267 1.00 0.00 C ATOM 759 CE LYS A 116 13.942 -4.028 0.160 1.00 0.00 C ATOM 760 NZ LYS A 116 15.101 -3.498 0.931 1.00 0.00 N ATOM 0 H LYS A 116 11.611 -7.570 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 116 10.386 -5.151 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.936 -5.810 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.826 -5.292 -3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.472 -3.061 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.778 -3.444 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.695 -3.999 -1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 116 14.160 -2.436 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.015 -3.752 0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.984 -5.117 0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.079 -3.881 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.987 -3.782 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.048 -2.460 0.968 1.00 0.00 H new ATOM 774 N ILE A 117 9.143 -4.468 -3.589 1.00 0.00 N ATOM 775 CA ILE A 117 8.429 -3.972 -4.759 1.00 0.00 C ATOM 776 C ILE A 117 9.223 -2.878 -5.465 1.00 0.00 C ATOM 777 O ILE A 117 9.549 -1.851 -4.868 1.00 0.00 O ATOM 778 CB ILE A 117 7.042 -3.420 -4.381 1.00 0.00 C ATOM 779 CG1 ILE A 117 6.291 -4.426 -3.505 1.00 0.00 C ATOM 780 CG2 ILE A 117 6.241 -3.098 -5.633 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.829 -5.654 -4.257 1.00 0.00 C ATOM 0 H ILE A 117 8.698 -4.246 -2.698 1.00 0.00 H new ATOM 0 HA ILE A 117 8.303 -4.819 -5.433 1.00 0.00 H new ATOM 0 HB ILE A 117 7.175 -2.500 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.938 -4.735 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.425 -3.934 -3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.263 -2.709 -5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.772 -2.350 -6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 117 6.113 -4.004 -6.226 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.305 -6.323 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.156 -5.356 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.692 -6.169 -4.678 1.00 0.00 H new ATOM 793 N GLN A 118 9.530 -3.104 -6.738 1.00 0.00 N ATOM 794 CA GLN A 118 10.286 -2.137 -7.525 1.00 0.00 C ATOM 795 C GLN A 118 9.500 -1.707 -8.759 1.00 0.00 C ATOM 796 O GLN A 118 8.486 -2.314 -9.105 1.00 0.00 O ATOM 797 CB GLN A 118 11.633 -2.729 -7.944 1.00 0.00 C ATOM 798 CG GLN A 118 12.665 -1.680 -8.327 1.00 0.00 C ATOM 799 CD GLN A 118 14.086 -2.134 -8.054 1.00 0.00 C ATOM 800 OE1 GLN A 118 14.397 -2.616 -6.965 1.00 0.00 O ATOM 801 NE2 GLN A 118 14.956 -1.980 -9.045 1.00 0.00 N ATOM 0 H GLN A 118 9.267 -3.948 -7.246 1.00 0.00 H new ATOM 0 HA GLN A 118 10.461 -1.259 -6.904 1.00 0.00 H new ATOM 0 HB2 GLN A 118 12.026 -3.332 -7.125 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.479 -3.400 -8.789 1.00 0.00 H new ATOM 0 HG2 GLN A 118 12.560 -1.442 -9.386 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.468 -0.762 -7.773 1.00 0.00 H new ATOM 0 HE21 GLN A 118 14.653 -1.576 -9.931 1.00 0.00 H new ATOM 0 HE22 GLN A 118 15.927 -2.266 -8.920 1.00 0.00 H new ATOM 810 N LYS A 119 9.974 -0.656 -9.420 1.00 0.00 N ATOM 811 CA LYS A 119 9.317 -0.145 -10.617 1.00 0.00 C ATOM 812 C LYS A 119 9.572 -1.059 -11.811 1.00 0.00 C ATOM 813 O LYS A 119 8.806 -1.068 -12.774 1.00 0.00 O ATOM 814 CB LYS A 119 9.810 1.270 -10.929 1.00 0.00 C ATOM 815 CG LYS A 119 11.287 1.336 -11.279 1.00 0.00 C ATOM 816 CD LYS A 119 11.592 2.512 -12.192 1.00 0.00 C ATOM 817 CE LYS A 119 12.770 2.216 -13.107 1.00 0.00 C ATOM 818 NZ LYS A 119 12.342 1.528 -14.357 1.00 0.00 N ATOM 0 H LYS A 119 10.811 -0.141 -9.147 1.00 0.00 H new ATOM 0 HA LYS A 119 8.244 -0.116 -10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.230 1.673 -11.759 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.620 1.910 -10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.875 1.422 -10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.588 0.409 -11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.713 2.745 -12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.810 3.394 -11.590 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.276 3.147 -13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.493 1.594 -12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.173 1.344 -14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.881 0.627 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.672 2.132 -14.874 1.00 0.00 H new ATOM 832 N LYS A 120 10.654 -1.828 -11.741 1.00 0.00 N ATOM 833 CA LYS A 120 11.010 -2.748 -12.814 1.00 0.00 C ATOM 834 C LYS A 120 10.155 -4.010 -12.754 1.00 0.00 C ATOM 835 O LYS A 120 9.576 -4.427 -13.756 1.00 0.00 O ATOM 836 CB LYS A 120 12.492 -3.119 -12.726 1.00 0.00 C ATOM 837 CG LYS A 120 12.970 -3.991 -13.873 1.00 0.00 C ATOM 838 CD LYS A 120 12.987 -3.225 -15.186 1.00 0.00 C ATOM 839 CE LYS A 120 14.166 -2.268 -15.258 1.00 0.00 C ATOM 840 NZ LYS A 120 15.402 -2.944 -15.741 1.00 0.00 N ATOM 0 H LYS A 120 11.300 -1.832 -10.951 1.00 0.00 H new ATOM 0 HA LYS A 120 10.823 -2.248 -13.764 1.00 0.00 H new ATOM 0 HB2 LYS A 120 13.086 -2.205 -12.704 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.672 -3.640 -11.785 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.971 -4.364 -13.655 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.319 -4.860 -13.966 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.036 -3.928 -16.018 1.00 0.00 H new ATOM 0 HD3 LYS A 120 12.057 -2.667 -15.295 1.00 0.00 H new ATOM 0 HE2 LYS A 120 13.921 -1.440 -15.924 1.00 0.00 H new ATOM 0 HE3 LYS A 120 14.348 -1.841 -14.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 16.182 -2.257 -15.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 15.650 -3.718 -15.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 15.238 -3.329 -16.693 1.00 0.00 H new ATOM 854 N ASN A 121 10.080 -4.613 -11.572 1.00 0.00 N ATOM 855 CA ASN A 121 9.295 -5.827 -11.382 1.00 0.00 C ATOM 856 C ASN A 121 8.271 -5.644 -10.265 1.00 0.00 C ATOM 857 O ASN A 121 8.439 -6.167 -9.163 1.00 0.00 O ATOM 858 CB ASN A 121 10.213 -7.008 -11.058 1.00 0.00 C ATOM 859 CG ASN A 121 11.439 -7.048 -11.950 1.00 0.00 C ATOM 860 OD1 ASN A 121 11.489 -7.803 -12.921 1.00 0.00 O ATOM 861 ND2 ASN A 121 12.435 -6.232 -11.624 1.00 0.00 N ATOM 0 H ASN A 121 10.553 -4.281 -10.732 1.00 0.00 H new ATOM 0 HA ASN A 121 8.762 -6.033 -12.310 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.527 -6.946 -10.016 1.00 0.00 H new ATOM 0 HB3 ASN A 121 9.656 -7.939 -11.168 1.00 0.00 H new ATOM 0 HD21 ASN A 121 13.285 -6.214 -12.188 1.00 0.00 H new ATOM 0 HD22 ASN A 121 12.350 -5.623 -10.810 1.00 0.00 H new ATOM 868 N ARG A 122 7.211 -4.898 -10.558 1.00 0.00 N ATOM 869 CA ARG A 122 6.161 -4.645 -9.579 1.00 0.00 C ATOM 870 C ARG A 122 5.193 -5.823 -9.503 1.00 0.00 C ATOM 871 O ARG A 122 4.690 -6.157 -8.432 1.00 0.00 O ATOM 872 CB ARG A 122 5.399 -3.368 -9.935 1.00 0.00 C ATOM 873 CG ARG A 122 4.708 -3.428 -11.288 1.00 0.00 C ATOM 874 CD ARG A 122 3.906 -2.165 -11.560 1.00 0.00 C ATOM 875 NE ARG A 122 3.498 -2.066 -12.959 1.00 0.00 N ATOM 876 CZ ARG A 122 3.023 -0.955 -13.510 1.00 0.00 C ATOM 877 NH1 ARG A 122 2.897 0.147 -12.784 1.00 0.00 N ATOM 878 NH2 ARG A 122 2.673 -0.944 -14.790 1.00 0.00 N ATOM 0 H ARG A 122 7.057 -4.458 -11.465 1.00 0.00 H new ATOM 0 HA ARG A 122 6.631 -4.519 -8.604 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.653 -3.173 -9.164 1.00 0.00 H new ATOM 0 HB3 ARG A 122 6.093 -2.527 -9.928 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.453 -3.564 -12.072 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.047 -4.294 -11.322 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.022 -2.153 -10.923 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.503 -1.292 -11.294 1.00 0.00 H new ATOM 0 HE ARG A 122 3.583 -2.896 -13.545 1.00 0.00 H new ATOM 0 HH11 ARG A 122 3.165 0.143 -11.800 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.532 0.999 -13.210 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.769 -1.790 -15.352 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.308 -0.090 -15.212 1.00 0.00 H new ATOM 892 N ASN A 123 4.938 -6.447 -10.649 1.00 0.00 N ATOM 893 CA ASN A 123 4.030 -7.587 -10.712 1.00 0.00 C ATOM 894 C ASN A 123 4.761 -8.884 -10.378 1.00 0.00 C ATOM 895 O ASN A 123 4.594 -9.897 -11.057 1.00 0.00 O ATOM 896 CB ASN A 123 3.401 -7.687 -12.103 1.00 0.00 C ATOM 897 CG ASN A 123 4.430 -7.953 -13.185 1.00 0.00 C ATOM 898 OD1 ASN A 123 5.082 -7.032 -13.677 1.00 0.00 O ATOM 899 ND2 ASN A 123 4.579 -9.218 -13.562 1.00 0.00 N ATOM 0 H ASN A 123 5.347 -6.183 -11.545 1.00 0.00 H new ATOM 0 HA ASN A 123 3.243 -7.434 -9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 123 2.659 -8.486 -12.107 1.00 0.00 H new ATOM 0 HB3 ASN A 123 2.873 -6.760 -12.327 1.00 0.00 H new ATOM 0 HD21 ASN A 123 5.255 -9.458 -14.287 1.00 0.00 H new ATOM 0 HD22 ASN A 123 4.017 -9.949 -13.127 1.00 0.00 H new ATOM 906 N LYS A 124 5.571 -8.845 -9.325 1.00 0.00 N ATOM 907 CA LYS A 124 6.326 -10.017 -8.898 1.00 0.00 C ATOM 908 C LYS A 124 5.583 -10.773 -7.801 1.00 0.00 C ATOM 909 O LYS A 124 5.246 -11.947 -7.961 1.00 0.00 O ATOM 910 CB LYS A 124 7.711 -9.601 -8.396 1.00 0.00 C ATOM 911 CG LYS A 124 8.582 -10.772 -7.974 1.00 0.00 C ATOM 912 CD LYS A 124 9.348 -11.350 -9.152 1.00 0.00 C ATOM 913 CE LYS A 124 10.362 -12.390 -8.700 1.00 0.00 C ATOM 914 NZ LYS A 124 9.746 -13.738 -8.551 1.00 0.00 N ATOM 0 H LYS A 124 5.721 -8.015 -8.752 1.00 0.00 H new ATOM 0 HA LYS A 124 6.440 -10.678 -9.757 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.221 -9.044 -9.182 1.00 0.00 H new ATOM 0 HB3 LYS A 124 7.593 -8.923 -7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.284 -10.446 -7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 124 7.959 -11.548 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.649 -11.803 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 124 9.860 -10.548 -9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.177 -12.441 -9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.798 -12.083 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.470 -14.418 -8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.985 -13.696 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.352 -14.043 -9.464 1.00 0.00 H new ATOM 928 N CYS A 125 5.329 -10.094 -6.688 1.00 0.00 N ATOM 929 CA CYS A 125 4.624 -10.700 -5.565 1.00 0.00 C ATOM 930 C CYS A 125 3.305 -9.982 -5.298 1.00 0.00 C ATOM 931 O CYS A 125 3.267 -8.758 -5.178 1.00 0.00 O ATOM 932 CB CYS A 125 5.498 -10.667 -4.310 1.00 0.00 C ATOM 933 SG CYS A 125 4.879 -11.703 -2.945 1.00 0.00 S ATOM 0 H CYS A 125 5.601 -9.122 -6.539 1.00 0.00 H new ATOM 0 HA CYS A 125 4.407 -11.737 -5.822 1.00 0.00 H new ATOM 0 HB2 CYS A 125 6.504 -10.994 -4.572 1.00 0.00 H new ATOM 0 HB3 CYS A 125 5.578 -9.637 -3.963 1.00 0.00 H new ATOM 0 HG CYS A 125 5.276 -11.208 -1.810 1.00 0.00 H new ATOM 938 N GLN A 126 2.226 -10.752 -5.207 1.00 0.00 N ATOM 939 CA GLN A 126 0.905 -10.189 -4.955 1.00 0.00 C ATOM 940 C GLN A 126 0.754 -9.788 -3.492 1.00 0.00 C ATOM 941 O GLN A 126 0.245 -8.710 -3.183 1.00 0.00 O ATOM 942 CB GLN A 126 -0.183 -11.196 -5.334 1.00 0.00 C ATOM 943 CG GLN A 126 -0.426 -11.294 -6.832 1.00 0.00 C ATOM 944 CD GLN A 126 0.719 -11.964 -7.566 1.00 0.00 C ATOM 945 OE1 GLN A 126 1.089 -13.098 -7.260 1.00 0.00 O ATOM 946 NE2 GLN A 126 1.287 -11.265 -8.542 1.00 0.00 N ATOM 0 H GLN A 126 2.240 -11.767 -5.304 1.00 0.00 H new ATOM 0 HA GLN A 126 0.795 -9.296 -5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.095 -12.179 -4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.114 -10.916 -4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -1.344 -11.853 -7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.577 -10.294 -7.238 1.00 0.00 H new ATOM 0 HE21 GLN A 126 0.948 -10.328 -8.762 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.062 -11.665 -9.071 1.00 0.00 H new ATOM 955 N TYR A 127 1.199 -10.661 -2.595 1.00 0.00 N ATOM 956 CA TYR A 127 1.111 -10.398 -1.164 1.00 0.00 C ATOM 957 C TYR A 127 1.874 -9.129 -0.795 1.00 0.00 C ATOM 958 O TYR A 127 1.281 -8.129 -0.390 1.00 0.00 O ATOM 959 CB TYR A 127 1.661 -11.585 -0.371 1.00 0.00 C ATOM 960 CG TYR A 127 1.461 -11.461 1.122 1.00 0.00 C ATOM 961 CD1 TYR A 127 0.295 -11.915 1.727 1.00 0.00 C ATOM 962 CD2 TYR A 127 2.438 -10.892 1.929 1.00 0.00 C ATOM 963 CE1 TYR A 127 0.108 -11.802 3.091 1.00 0.00 C ATOM 964 CE2 TYR A 127 2.260 -10.777 3.294 1.00 0.00 C ATOM 965 CZ TYR A 127 1.093 -11.233 3.870 1.00 0.00 C ATOM 966 OH TYR A 127 0.912 -11.121 5.230 1.00 0.00 O ATOM 0 H TYR A 127 1.624 -11.557 -2.834 1.00 0.00 H new ATOM 0 HA TYR A 127 0.060 -10.256 -0.911 1.00 0.00 H new ATOM 0 HB2 TYR A 127 1.179 -12.498 -0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.726 -11.688 -0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -0.478 -12.364 1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.353 -10.533 1.481 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -0.805 -12.158 3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 127 3.030 -10.332 3.907 1.00 0.00 H new ATOM 0 HH TYR A 127 1.700 -10.699 5.631 1.00 0.00 H new ATOM 976 N CYS A 128 3.194 -9.178 -0.937 1.00 0.00 N ATOM 977 CA CYS A 128 4.041 -8.035 -0.620 1.00 0.00 C ATOM 978 C CYS A 128 3.446 -6.745 -1.180 1.00 0.00 C ATOM 979 O CYS A 128 3.176 -5.801 -0.438 1.00 0.00 O ATOM 980 CB CYS A 128 5.449 -8.245 -1.181 1.00 0.00 C ATOM 981 SG CYS A 128 6.426 -9.496 -0.287 1.00 0.00 S ATOM 0 H CYS A 128 3.701 -9.998 -1.270 1.00 0.00 H new ATOM 0 HA CYS A 128 4.099 -7.948 0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.371 -8.540 -2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.984 -7.296 -1.156 1.00 0.00 H new ATOM 0 HG CYS A 128 7.053 -10.248 -1.141 1.00 0.00 H new ATOM 986 N ARG A 129 3.244 -6.715 -2.493 1.00 0.00 N ATOM 987 CA ARG A 129 2.682 -5.542 -3.152 1.00 0.00 C ATOM 988 C ARG A 129 1.548 -4.944 -2.325 1.00 0.00 C ATOM 989 O ARG A 129 1.589 -3.772 -1.952 1.00 0.00 O ATOM 990 CB ARG A 129 2.171 -5.911 -4.546 1.00 0.00 C ATOM 991 CG ARG A 129 1.523 -4.750 -5.284 1.00 0.00 C ATOM 992 CD ARG A 129 2.543 -3.968 -6.097 1.00 0.00 C ATOM 993 NE ARG A 129 2.718 -4.525 -7.436 1.00 0.00 N ATOM 994 CZ ARG A 129 1.784 -4.480 -8.379 1.00 0.00 C ATOM 995 NH1 ARG A 129 0.615 -3.906 -8.132 1.00 0.00 N ATOM 996 NH2 ARG A 129 2.019 -5.009 -9.573 1.00 0.00 N ATOM 0 H ARG A 129 3.461 -7.489 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 129 3.471 -4.796 -3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.003 -6.289 -5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.448 -6.722 -4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.742 -5.127 -5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.041 -4.085 -4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.224 -2.929 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.500 -3.969 -5.576 1.00 0.00 H new ATOM 0 HE ARG A 129 3.607 -4.973 -7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.431 -3.497 -7.216 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.100 -3.873 -8.858 1.00 0.00 H new ATOM 0 HH21 ARG A 129 2.918 -5.451 -9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.301 -4.974 -10.297 1.00 0.00 H new ATOM 1010 N PHE A 130 0.537 -5.758 -2.042 1.00 0.00 N ATOM 1011 CA PHE A 130 -0.610 -5.310 -1.260 1.00 0.00 C ATOM 1012 C PHE A 130 -0.164 -4.751 0.088 1.00 0.00 C ATOM 1013 O PHE A 130 -0.503 -3.624 0.447 1.00 0.00 O ATOM 1014 CB PHE A 130 -1.591 -6.464 -1.046 1.00 0.00 C ATOM 1015 CG PHE A 130 -2.906 -6.032 -0.462 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -3.795 -5.275 -1.208 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.253 -6.384 0.832 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.006 -4.876 -0.674 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -4.463 -5.988 1.372 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.340 -5.233 0.618 1.00 0.00 C ATOM 0 H PHE A 130 0.488 -6.732 -2.342 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.109 -4.516 -1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.771 -6.959 -2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.134 -7.201 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.539 -4.993 -2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -2.571 -6.974 1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.690 -4.286 -1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -4.722 -6.269 2.382 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.285 -4.922 1.038 1.00 0.00 H new ATOM 1030 N GLN A 131 0.598 -5.548 0.830 1.00 0.00 N ATOM 1031 CA GLN A 131 1.090 -5.134 2.138 1.00 0.00 C ATOM 1032 C GLN A 131 1.564 -3.685 2.108 1.00 0.00 C ATOM 1033 O GLN A 131 1.193 -2.881 2.963 1.00 0.00 O ATOM 1034 CB GLN A 131 2.231 -6.047 2.591 1.00 0.00 C ATOM 1035 CG GLN A 131 1.758 -7.371 3.169 1.00 0.00 C ATOM 1036 CD GLN A 131 0.958 -7.198 4.445 1.00 0.00 C ATOM 1037 OE1 GLN A 131 -0.161 -6.684 4.425 1.00 0.00 O ATOM 1038 NE2 GLN A 131 1.529 -7.627 5.564 1.00 0.00 N ATOM 0 H GLN A 131 0.888 -6.484 0.547 1.00 0.00 H new ATOM 0 HA GLN A 131 0.267 -5.213 2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.886 -6.244 1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.827 -5.525 3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 131 1.147 -7.889 2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.622 -8.005 3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 131 2.458 -8.047 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 131 1.039 -7.537 6.454 1.00 0.00 H new ATOM 1047 N LYS A 132 2.387 -3.357 1.117 1.00 0.00 N ATOM 1048 CA LYS A 132 2.913 -2.005 0.974 1.00 0.00 C ATOM 1049 C LYS A 132 1.796 -0.972 1.092 1.00 0.00 C ATOM 1050 O LYS A 132 1.921 0.009 1.825 1.00 0.00 O ATOM 1051 CB LYS A 132 3.623 -1.852 -0.373 1.00 0.00 C ATOM 1052 CG LYS A 132 4.192 -0.463 -0.607 1.00 0.00 C ATOM 1053 CD LYS A 132 5.416 -0.506 -1.506 1.00 0.00 C ATOM 1054 CE LYS A 132 6.239 0.767 -1.387 1.00 0.00 C ATOM 1055 NZ LYS A 132 7.484 0.701 -2.201 1.00 0.00 N ATOM 0 H LYS A 132 2.704 -4.010 0.401 1.00 0.00 H new ATOM 0 HA LYS A 132 3.630 -1.833 1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.431 -2.581 -0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.921 -2.087 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.430 0.172 -1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.457 -0.012 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.033 -1.365 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.104 -0.643 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 132 5.639 1.618 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.497 0.936 -0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.017 1.588 -2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.069 -0.096 -1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.237 0.565 -3.202 1.00 0.00 H new ATOM 1069 N CYS A 133 0.706 -1.201 0.368 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.433 -0.290 0.392 1.00 0.00 C ATOM 1071 C CYS A 133 -0.918 -0.065 1.821 1.00 0.00 C ATOM 1072 O CYS A 133 -0.922 1.063 2.316 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.572 -0.842 -0.465 1.00 0.00 C ATOM 1074 SG CYS A 133 -1.140 -1.076 -2.206 1.00 0.00 S ATOM 0 H CYS A 133 0.587 -2.009 -0.243 1.00 0.00 H new ATOM 0 HA CYS A 133 -0.111 0.667 -0.018 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.894 -1.797 -0.050 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.422 -0.163 -0.401 1.00 0.00 H new ATOM 0 HG CYS A 133 -2.226 -1.195 -2.910 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.329 -1.144 2.477 1.00 0.00 N ATOM 1081 CA LEU A 134 -1.819 -1.065 3.849 1.00 0.00 C ATOM 1082 C LEU A 134 -0.947 -0.134 4.686 1.00 0.00 C ATOM 1083 O LEU A 134 -1.444 0.592 5.545 1.00 0.00 O ATOM 1084 CB LEU A 134 -1.851 -2.458 4.481 1.00 0.00 C ATOM 1085 CG LEU A 134 -2.856 -3.443 3.884 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -2.661 -4.830 4.476 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.280 -2.958 4.115 1.00 0.00 C ATOM 0 H LEU A 134 -1.333 -2.084 2.081 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.831 -0.660 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -0.855 -2.894 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.068 -2.348 5.544 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.683 -3.502 2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.385 -5.517 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.652 -5.180 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -2.806 -4.788 5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.982 -3.672 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -4.465 -2.869 5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.414 -1.985 3.642 1.00 0.00 H new ATOM 1099 N ALA A 135 0.356 -0.160 4.426 1.00 0.00 N ATOM 1100 CA ALA A 135 1.297 0.684 5.152 1.00 0.00 C ATOM 1101 C ALA A 135 1.204 2.134 4.688 1.00 0.00 C ATOM 1102 O ALA A 135 1.339 3.062 5.486 1.00 0.00 O ATOM 1103 CB ALA A 135 2.716 0.162 4.980 1.00 0.00 C ATOM 0 H ALA A 135 0.784 -0.756 3.718 1.00 0.00 H new ATOM 0 HA ALA A 135 1.036 0.651 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.408 0.802 5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.779 -0.855 5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.979 0.165 3.922 1.00 0.00 H new ATOM 1109 N LEU A 136 0.975 2.322 3.393 1.00 0.00 N ATOM 1110 CA LEU A 136 0.866 3.660 2.822 1.00 0.00 C ATOM 1111 C LEU A 136 -0.297 4.425 3.446 1.00 0.00 C ATOM 1112 O LEU A 136 -0.309 5.655 3.459 1.00 0.00 O ATOM 1113 CB LEU A 136 0.680 3.575 1.306 1.00 0.00 C ATOM 1114 CG LEU A 136 1.943 3.301 0.489 1.00 0.00 C ATOM 1115 CD1 LEU A 136 1.590 3.017 -0.963 1.00 0.00 C ATOM 1116 CD2 LEU A 136 2.906 4.476 0.585 1.00 0.00 C ATOM 0 H LEU A 136 0.861 1.565 2.719 1.00 0.00 H new ATOM 0 HA LEU A 136 1.789 4.198 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -0.044 2.789 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.244 4.512 0.960 1.00 0.00 H new ATOM 0 HG LEU A 136 2.434 2.419 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.502 2.824 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.940 2.144 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.075 3.879 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.799 4.263 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.424 5.374 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.186 4.633 1.627 1.00 0.00 H new ATOM 1128 N GLY A 137 -1.274 3.687 3.965 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.427 4.312 4.586 1.00 0.00 C ATOM 1130 C GLY A 137 -3.576 4.503 3.615 1.00 0.00 C ATOM 1131 O GLY A 137 -4.388 5.413 3.777 1.00 0.00 O ATOM 0 H GLY A 137 -1.287 2.667 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.761 3.700 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -2.136 5.280 4.995 1.00 0.00 H new ATOM 1135 N MET A 138 -3.643 3.643 2.604 1.00 0.00 N ATOM 1136 CA MET A 138 -4.701 3.722 1.604 1.00 0.00 C ATOM 1137 C MET A 138 -6.068 3.491 2.239 1.00 0.00 C ATOM 1138 O MET A 138 -6.165 3.133 3.413 1.00 0.00 O ATOM 1139 CB MET A 138 -4.461 2.695 0.495 1.00 0.00 C ATOM 1140 CG MET A 138 -3.550 3.199 -0.613 1.00 0.00 C ATOM 1141 SD MET A 138 -3.294 1.975 -1.912 1.00 0.00 S ATOM 1142 CE MET A 138 -2.657 3.008 -3.230 1.00 0.00 C ATOM 0 H MET A 138 -2.978 2.884 2.456 1.00 0.00 H new ATOM 0 HA MET A 138 -4.685 4.723 1.173 1.00 0.00 H new ATOM 0 HB2 MET A 138 -4.026 1.796 0.931 1.00 0.00 H new ATOM 0 HB3 MET A 138 -5.420 2.408 0.063 1.00 0.00 H new ATOM 0 HG2 MET A 138 -3.979 4.101 -1.049 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.586 3.478 -0.187 1.00 0.00 H new ATOM 0 HE1 MET A 138 -2.749 2.483 -4.181 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.226 3.937 -3.272 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.608 3.234 -3.040 1.00 0.00 H new ATOM 1152 N SER A 139 -7.122 3.698 1.456 1.00 0.00 N ATOM 1153 CA SER A 139 -8.484 3.516 1.944 1.00 0.00 C ATOM 1154 C SER A 139 -9.260 2.559 1.045 1.00 0.00 C ATOM 1155 O SER A 139 -9.718 2.936 -0.034 1.00 0.00 O ATOM 1156 CB SER A 139 -9.206 4.863 2.018 1.00 0.00 C ATOM 1157 OG SER A 139 -8.882 5.551 3.214 1.00 0.00 O ATOM 0 H SER A 139 -7.059 3.992 0.481 1.00 0.00 H new ATOM 0 HA SER A 139 -8.431 3.085 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.932 5.474 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 139 -10.283 4.705 1.966 1.00 0.00 H new ATOM 0 HG SER A 139 -9.355 6.409 3.236 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.405 1.318 1.498 1.00 0.00 N ATOM 1164 CA HIS A 140 -10.126 0.305 0.735 1.00 0.00 C ATOM 1165 C HIS A 140 -11.626 0.586 0.741 1.00 0.00 C ATOM 1166 O HIS A 140 -12.286 0.506 -0.293 1.00 0.00 O ATOM 1167 CB HIS A 140 -9.854 -1.086 1.309 1.00 0.00 C ATOM 1168 CG HIS A 140 -9.809 -1.119 2.805 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -8.641 -1.283 3.520 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -10.798 -1.005 3.723 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -8.914 -1.271 4.813 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -10.215 -1.103 4.963 1.00 0.00 N ATOM 0 H HIS A 140 -9.033 0.990 2.389 1.00 0.00 H new ATOM 0 HA HIS A 140 -9.771 0.341 -0.295 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -10.628 -1.771 0.962 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -8.905 -1.452 0.917 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -11.849 -0.863 3.518 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -8.195 -1.380 5.611 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -10.707 -1.054 5.855 1.00 0.00 H new