USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 400 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: C 356 CYS SG : rot -139:sc= 0.312 USER MOD Set 1.2: C 358 HIS : no HE2:sc= -1.7 K(o=-1.3,f=-3.2!) USER MOD Set 1.3: C 375 CYS SG : rot -161:sc= -0.359! USER MOD Set 1.4: C 378 CYS SG : rot 130:sc= 0.48 USER MOD Set 2.1: C 341 CYS SG : rot -172:sc= -0.692! USER MOD Set 2.2: C 344 CYS SG : rot -145:sc= -2.34! USER MOD Set 2.3: C 348 MET CE :methyl -170:sc= -2.03 (180deg=-0.121) USER MOD Set 2.4: C 361 HIS : no HD1:sc= -4.98 K(o=-12,f=-20!) USER MOD Set 2.5: C 364 CYS SG : rot -128:sc= -2.16! USER MOD Single : C 330 THR OG1 : rot 154:sc= 0.333 USER MOD Single : C 337 ASN : amide:sc= -0.0516 K(o=-0.052,f=-1.1) USER MOD Single : C 338 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.2) USER MOD Single : C 347 SER OG : rot -129:sc= 0.921 USER MOD Single : C 349 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.22) USER MOD Single : C 353 LYS NZ :NH3+ 173:sc= -0.776 (180deg=-0.968) USER MOD Single : C 362 ASN : amide:sc= -4.29! K(o=-4.3!,f=-3) USER MOD Single : C 363 SER OG : rot 180:sc= 0 USER MOD Single : C 367 SER OG : rot 180:sc= 0 USER MOD Single : C 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 373 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : C 374 SER OG : rot -116:sc= 0.498 USER MOD Single : C 377 THR OG1 : rot 172:sc= 0 USER MOD Single : C 380 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 381 SER OG : rot 180:sc= 0.0028 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.671 1.428 -15.862 1.00 0.00 N ATOM 2 CA ALA C 327 17.343 0.405 -16.713 1.00 0.00 C ATOM 3 C ALA C 327 17.377 -0.928 -15.970 1.00 0.00 C ATOM 4 O ALA C 327 18.145 -1.101 -15.023 1.00 0.00 O ATOM 5 CB ALA C 327 18.768 0.863 -17.027 1.00 0.00 C ATOM 0 HA ALA C 327 16.792 0.282 -17.646 1.00 0.00 H new ATOM 0 HB1 ALA C 327 19.261 0.116 -17.649 1.00 0.00 H new ATOM 0 HB2 ALA C 327 18.736 1.814 -17.558 1.00 0.00 H new ATOM 0 HB3 ALA C 327 19.324 0.985 -16.097 1.00 0.00 H new ATOM 11 N VAL C 328 16.541 -1.869 -16.409 1.00 0.00 N ATOM 12 CA VAL C 328 16.480 -3.191 -15.783 1.00 0.00 C ATOM 13 C VAL C 328 17.175 -4.222 -16.665 1.00 0.00 C ATOM 14 O VAL C 328 16.659 -4.604 -17.717 1.00 0.00 O ATOM 15 CB VAL C 328 15.017 -3.600 -15.589 1.00 0.00 C ATOM 16 CG1 VAL C 328 14.939 -4.805 -14.648 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.237 -2.428 -14.990 1.00 0.00 C ATOM 0 H VAL C 328 15.899 -1.742 -17.192 1.00 0.00 H new ATOM 0 HA VAL C 328 16.983 -3.147 -14.817 1.00 0.00 H new ATOM 0 HB VAL C 328 14.585 -3.869 -16.553 1.00 0.00 H new ATOM 0 HG11 VAL C 328 13.897 -5.094 -14.512 1.00 0.00 H new ATOM 0 HG12 VAL C 328 15.493 -5.639 -15.078 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.371 -4.541 -13.683 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.195 -2.717 -14.851 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.670 -2.157 -14.027 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.289 -1.573 -15.665 1.00 0.00 H new ATOM 27 N ALA C 329 18.352 -4.670 -16.232 1.00 0.00 N ATOM 28 CA ALA C 329 19.126 -5.661 -16.989 1.00 0.00 C ATOM 29 C ALA C 329 19.083 -7.016 -16.294 1.00 0.00 C ATOM 30 O ALA C 329 19.251 -8.056 -16.930 1.00 0.00 O ATOM 31 CB ALA C 329 20.580 -5.202 -17.104 1.00 0.00 C ATOM 0 H ALA C 329 18.792 -4.366 -15.364 1.00 0.00 H new ATOM 0 HA ALA C 329 18.688 -5.756 -17.983 1.00 0.00 H new ATOM 0 HB1 ALA C 329 21.151 -5.940 -17.667 1.00 0.00 H new ATOM 0 HB2 ALA C 329 20.619 -4.243 -17.620 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.008 -5.095 -16.107 1.00 0.00 H new ATOM 37 N THR C 330 18.865 -6.997 -14.986 1.00 0.00 N ATOM 38 CA THR C 330 18.811 -8.234 -14.216 1.00 0.00 C ATOM 39 C THR C 330 17.802 -9.207 -14.838 1.00 0.00 C ATOM 40 O THR C 330 16.816 -8.780 -15.440 1.00 0.00 O ATOM 41 CB THR C 330 18.407 -7.927 -12.764 1.00 0.00 C ATOM 42 OG1 THR C 330 17.386 -6.940 -12.763 1.00 0.00 O ATOM 43 CG2 THR C 330 19.616 -7.409 -11.983 1.00 0.00 C ATOM 0 H THR C 330 18.724 -6.148 -14.439 1.00 0.00 H new ATOM 0 HA THR C 330 19.798 -8.696 -14.228 1.00 0.00 H new ATOM 0 HB THR C 330 18.042 -8.839 -12.291 1.00 0.00 H new ATOM 0 HG1 THR C 330 16.846 -7.029 -11.950 1.00 0.00 H new ATOM 0 HG21 THR C 330 19.321 -7.194 -10.956 1.00 0.00 H new ATOM 0 HG22 THR C 330 20.401 -8.165 -11.984 1.00 0.00 H new ATOM 0 HG23 THR C 330 19.989 -6.498 -12.451 1.00 0.00 H new ATOM 51 N PRO C 331 18.016 -10.493 -14.694 1.00 0.00 N ATOM 52 CA PRO C 331 17.089 -11.535 -15.247 1.00 0.00 C ATOM 53 C PRO C 331 15.732 -11.542 -14.540 1.00 0.00 C ATOM 54 O PRO C 331 15.615 -11.108 -13.395 1.00 0.00 O ATOM 55 CB PRO C 331 17.839 -12.848 -14.987 1.00 0.00 C ATOM 56 CG PRO C 331 18.687 -12.552 -13.794 1.00 0.00 C ATOM 57 CD PRO C 331 19.159 -11.116 -13.994 1.00 0.00 C ATOM 0 HA PRO C 331 16.858 -11.361 -16.298 1.00 0.00 H new ATOM 0 HB2 PRO C 331 17.149 -13.669 -14.792 1.00 0.00 H new ATOM 0 HB3 PRO C 331 18.445 -13.138 -15.845 1.00 0.00 H new ATOM 0 HG2 PRO C 331 18.119 -12.656 -12.870 1.00 0.00 H new ATOM 0 HG3 PRO C 331 19.530 -13.239 -13.728 1.00 0.00 H new ATOM 0 HD2 PRO C 331 19.370 -10.623 -13.045 1.00 0.00 H new ATOM 0 HD3 PRO C 331 20.072 -11.069 -14.588 1.00 0.00 H new ATOM 65 N GLU C 332 14.718 -12.053 -15.231 1.00 0.00 N ATOM 66 CA GLU C 332 13.377 -12.133 -14.662 1.00 0.00 C ATOM 67 C GLU C 332 13.333 -13.174 -13.547 1.00 0.00 C ATOM 68 O GLU C 332 12.447 -13.144 -12.695 1.00 0.00 O ATOM 69 CB GLU C 332 12.367 -12.506 -15.757 1.00 0.00 C ATOM 70 CG GLU C 332 12.071 -11.283 -16.629 1.00 0.00 C ATOM 71 CD GLU C 332 13.312 -10.897 -17.428 1.00 0.00 C ATOM 72 OE1 GLU C 332 14.154 -11.757 -17.623 1.00 0.00 O ATOM 73 OE2 GLU C 332 13.403 -9.749 -17.825 1.00 0.00 O ATOM 0 H GLU C 332 14.798 -12.416 -16.181 1.00 0.00 H new ATOM 0 HA GLU C 332 13.117 -11.160 -14.246 1.00 0.00 H new ATOM 0 HB2 GLU C 332 12.765 -13.314 -16.371 1.00 0.00 H new ATOM 0 HB3 GLU C 332 11.446 -12.873 -15.305 1.00 0.00 H new ATOM 0 HG2 GLU C 332 11.246 -11.501 -17.307 1.00 0.00 H new ATOM 0 HG3 GLU C 332 11.757 -10.448 -16.003 1.00 0.00 H new ATOM 80 N GLU C 333 14.288 -14.099 -13.566 1.00 0.00 N ATOM 81 CA GLU C 333 14.340 -15.146 -12.560 1.00 0.00 C ATOM 82 C GLU C 333 14.345 -14.532 -11.157 1.00 0.00 C ATOM 83 O GLU C 333 13.593 -14.960 -10.282 1.00 0.00 O ATOM 84 CB GLU C 333 15.598 -15.995 -12.793 1.00 0.00 C ATOM 85 CG GLU C 333 16.825 -15.188 -12.416 1.00 0.00 C ATOM 86 CD GLU C 333 18.085 -15.836 -12.984 1.00 0.00 C ATOM 87 OE1 GLU C 333 18.540 -16.810 -12.405 1.00 0.00 O ATOM 88 OE2 GLU C 333 18.574 -15.350 -13.988 1.00 0.00 O ATOM 0 H GLU C 333 15.031 -14.142 -14.264 1.00 0.00 H new ATOM 0 HA GLU C 333 13.459 -15.783 -12.641 1.00 0.00 H new ATOM 0 HB2 GLU C 333 15.551 -16.906 -12.197 1.00 0.00 H new ATOM 0 HB3 GLU C 333 15.656 -16.300 -13.838 1.00 0.00 H new ATOM 0 HG2 GLU C 333 16.729 -14.171 -12.795 1.00 0.00 H new ATOM 0 HG3 GLU C 333 16.902 -15.118 -11.331 1.00 0.00 H new ATOM 95 N LEU C 334 15.186 -13.522 -10.956 1.00 0.00 N ATOM 96 CA LEU C 334 15.265 -12.849 -9.662 1.00 0.00 C ATOM 97 C LEU C 334 13.995 -12.059 -9.374 1.00 0.00 C ATOM 98 O LEU C 334 13.471 -12.091 -8.261 1.00 0.00 O ATOM 99 CB LEU C 334 16.480 -11.912 -9.635 1.00 0.00 C ATOM 100 CG LEU C 334 16.521 -11.110 -8.322 1.00 0.00 C ATOM 101 CD1 LEU C 334 16.490 -12.061 -7.116 1.00 0.00 C ATOM 102 CD2 LEU C 334 17.816 -10.289 -8.288 1.00 0.00 C ATOM 0 H LEU C 334 15.818 -13.153 -11.666 1.00 0.00 H new ATOM 0 HA LEU C 334 15.374 -13.610 -8.889 1.00 0.00 H new ATOM 0 HB2 LEU C 334 17.396 -12.493 -9.740 1.00 0.00 H new ATOM 0 HB3 LEU C 334 16.437 -11.229 -10.483 1.00 0.00 H new ATOM 0 HG LEU C 334 15.653 -10.452 -8.272 1.00 0.00 H new ATOM 0 HD11 LEU C 334 16.520 -11.480 -6.194 1.00 0.00 H new ATOM 0 HD12 LEU C 334 15.575 -12.653 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU C 334 17.353 -12.725 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU C 334 17.859 -9.715 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU C 334 18.674 -10.960 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU C 334 17.837 -9.608 -9.139 1.00 0.00 H new ATOM 114 N ALA C 335 13.507 -11.344 -10.382 1.00 0.00 N ATOM 115 CA ALA C 335 12.305 -10.543 -10.219 1.00 0.00 C ATOM 116 C ALA C 335 11.114 -11.428 -9.866 1.00 0.00 C ATOM 117 O ALA C 335 10.359 -11.127 -8.942 1.00 0.00 O ATOM 118 CB ALA C 335 12.019 -9.769 -11.515 1.00 0.00 C ATOM 0 H ALA C 335 13.923 -11.304 -11.312 1.00 0.00 H new ATOM 0 HA ALA C 335 12.463 -9.837 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA C 335 11.117 -9.170 -11.389 1.00 0.00 H new ATOM 0 HB2 ALA C 335 12.861 -9.115 -11.741 1.00 0.00 H new ATOM 0 HB3 ALA C 335 11.876 -10.473 -12.335 1.00 0.00 H new ATOM 124 N VAL C 336 10.960 -12.517 -10.603 1.00 0.00 N ATOM 125 CA VAL C 336 9.860 -13.439 -10.364 1.00 0.00 C ATOM 126 C VAL C 336 9.999 -14.077 -8.987 1.00 0.00 C ATOM 127 O VAL C 336 9.023 -14.192 -8.244 1.00 0.00 O ATOM 128 CB VAL C 336 9.851 -14.522 -11.448 1.00 0.00 C ATOM 129 CG1 VAL C 336 8.781 -15.568 -11.122 1.00 0.00 C ATOM 130 CG2 VAL C 336 9.550 -13.876 -12.812 1.00 0.00 C ATOM 0 H VAL C 336 11.579 -12.784 -11.368 1.00 0.00 H new ATOM 0 HA VAL C 336 8.919 -12.889 -10.400 1.00 0.00 H new ATOM 0 HB VAL C 336 10.826 -15.009 -11.485 1.00 0.00 H new ATOM 0 HG11 VAL C 336 8.777 -16.337 -11.894 1.00 0.00 H new ATOM 0 HG12 VAL C 336 9.000 -16.024 -10.157 1.00 0.00 H new ATOM 0 HG13 VAL C 336 7.803 -15.088 -11.082 1.00 0.00 H new ATOM 0 HG21 VAL C 336 9.543 -14.645 -13.585 1.00 0.00 H new ATOM 0 HG22 VAL C 336 8.576 -13.388 -12.777 1.00 0.00 H new ATOM 0 HG23 VAL C 336 10.318 -13.137 -13.042 1.00 0.00 H new ATOM 140 N ASN C 337 11.214 -14.496 -8.655 1.00 0.00 N ATOM 141 CA ASN C 337 11.465 -15.123 -7.365 1.00 0.00 C ATOM 142 C ASN C 337 11.299 -14.110 -6.240 1.00 0.00 C ATOM 143 O ASN C 337 11.170 -14.480 -5.073 1.00 0.00 O ATOM 144 CB ASN C 337 12.882 -15.700 -7.328 1.00 0.00 C ATOM 145 CG ASN C 337 13.045 -16.596 -6.105 1.00 0.00 C ATOM 146 OD1 ASN C 337 12.121 -17.326 -5.743 1.00 0.00 O ATOM 147 ND2 ASN C 337 14.169 -16.585 -5.442 1.00 0.00 N ATOM 0 H ASN C 337 12.034 -14.414 -9.256 1.00 0.00 H new ATOM 0 HA ASN C 337 10.743 -15.928 -7.227 1.00 0.00 H new ATOM 0 HB2 ASN C 337 13.076 -16.271 -8.236 1.00 0.00 H new ATOM 0 HB3 ASN C 337 13.613 -14.892 -7.298 1.00 0.00 H new ATOM 0 HD21 ASN C 337 14.284 -17.181 -4.623 1.00 0.00 H new ATOM 0 HD22 ASN C 337 14.933 -15.980 -5.743 1.00 0.00 H new ATOM 154 N ASN C 338 11.300 -12.824 -6.598 1.00 0.00 N ATOM 155 CA ASN C 338 11.144 -11.753 -5.610 1.00 0.00 C ATOM 156 C ASN C 338 10.148 -10.713 -6.103 1.00 0.00 C ATOM 157 O ASN C 338 10.485 -9.541 -6.273 1.00 0.00 O ATOM 158 CB ASN C 338 12.497 -11.084 -5.353 1.00 0.00 C ATOM 159 CG ASN C 338 12.383 -10.113 -4.182 1.00 0.00 C ATOM 160 OD1 ASN C 338 11.664 -10.383 -3.218 1.00 0.00 O ATOM 161 ND2 ASN C 338 13.054 -8.994 -4.208 1.00 0.00 N ATOM 0 H ASN C 338 11.406 -12.500 -7.559 1.00 0.00 H new ATOM 0 HA ASN C 338 10.769 -12.188 -4.683 1.00 0.00 H new ATOM 0 HB2 ASN C 338 13.251 -11.841 -5.137 1.00 0.00 H new ATOM 0 HB3 ASN C 338 12.825 -10.553 -6.246 1.00 0.00 H new ATOM 0 HD21 ASN C 338 12.984 -8.339 -3.429 1.00 0.00 H new ATOM 0 HD22 ASN C 338 13.648 -8.774 -5.007 1.00 0.00 H new ATOM 168 N ASP C 339 8.912 -11.152 -6.334 1.00 0.00 N ATOM 169 CA ASP C 339 7.864 -10.255 -6.807 1.00 0.00 C ATOM 170 C ASP C 339 7.213 -9.534 -5.631 1.00 0.00 C ATOM 171 O ASP C 339 6.181 -9.966 -5.116 1.00 0.00 O ATOM 172 CB ASP C 339 6.806 -11.050 -7.574 1.00 0.00 C ATOM 173 CG ASP C 339 6.171 -12.094 -6.662 1.00 0.00 C ATOM 174 OD1 ASP C 339 6.638 -12.241 -5.545 1.00 0.00 O ATOM 175 OD2 ASP C 339 5.223 -12.728 -7.093 1.00 0.00 O ATOM 0 H ASP C 339 8.614 -12.119 -6.202 1.00 0.00 H new ATOM 0 HA ASP C 339 8.311 -9.515 -7.471 1.00 0.00 H new ATOM 0 HB2 ASP C 339 6.040 -10.376 -7.956 1.00 0.00 H new ATOM 0 HB3 ASP C 339 7.261 -11.538 -8.436 1.00 0.00 H new ATOM 180 N ASP C 340 7.827 -8.432 -5.210 1.00 0.00 N ATOM 181 CA ASP C 340 7.304 -7.658 -4.092 1.00 0.00 C ATOM 182 C ASP C 340 8.012 -6.309 -4.006 1.00 0.00 C ATOM 183 O ASP C 340 9.236 -6.245 -3.900 1.00 0.00 O ATOM 184 CB ASP C 340 7.503 -8.426 -2.784 1.00 0.00 C ATOM 185 CG ASP C 340 6.811 -7.695 -1.638 1.00 0.00 C ATOM 186 OD1 ASP C 340 5.600 -7.557 -1.695 1.00 0.00 O ATOM 187 OD2 ASP C 340 7.502 -7.285 -0.720 1.00 0.00 O ATOM 0 H ASP C 340 8.681 -8.058 -5.624 1.00 0.00 H new ATOM 0 HA ASP C 340 6.239 -7.491 -4.253 1.00 0.00 H new ATOM 0 HB2 ASP C 340 7.099 -9.434 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP C 340 8.567 -8.528 -2.571 1.00 0.00 H new ATOM 192 N CYS C 341 7.231 -5.232 -4.056 1.00 0.00 N ATOM 193 CA CYS C 341 7.785 -3.877 -3.986 1.00 0.00 C ATOM 194 C CYS C 341 7.601 -3.293 -2.591 1.00 0.00 C ATOM 195 O CYS C 341 6.522 -3.373 -2.015 1.00 0.00 O ATOM 196 CB CYS C 341 7.086 -2.980 -5.012 1.00 0.00 C ATOM 197 SG CYS C 341 8.183 -1.616 -5.472 1.00 0.00 S ATOM 0 H CYS C 341 6.215 -5.268 -4.144 1.00 0.00 H new ATOM 0 HA CYS C 341 8.851 -3.927 -4.207 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.820 -3.560 -5.896 1.00 0.00 H new ATOM 0 HB3 CYS C 341 6.158 -2.589 -4.596 1.00 0.00 H new ATOM 0 HG CYS C 341 7.531 -0.763 -6.205 1.00 0.00 H new ATOM 202 N ALA C 342 8.659 -2.708 -2.049 1.00 0.00 N ATOM 203 CA ALA C 342 8.586 -2.108 -0.720 1.00 0.00 C ATOM 204 C ALA C 342 8.093 -0.665 -0.816 1.00 0.00 C ATOM 205 O ALA C 342 7.638 -0.084 0.170 1.00 0.00 O ATOM 206 CB ALA C 342 9.963 -2.138 -0.055 1.00 0.00 C ATOM 0 H ALA C 342 9.570 -2.635 -2.501 1.00 0.00 H new ATOM 0 HA ALA C 342 7.883 -2.683 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA C 342 9.898 -1.688 0.936 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.301 -3.170 0.036 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.673 -1.577 -0.663 1.00 0.00 H new ATOM 212 N ILE C 343 8.200 -0.085 -2.015 1.00 0.00 N ATOM 213 CA ILE C 343 7.777 1.300 -2.241 1.00 0.00 C ATOM 214 C ILE C 343 6.321 1.382 -2.704 1.00 0.00 C ATOM 215 O ILE C 343 5.458 1.871 -1.976 1.00 0.00 O ATOM 216 CB ILE C 343 8.673 1.936 -3.301 1.00 0.00 C ATOM 217 CG1 ILE C 343 10.125 1.900 -2.823 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.248 3.388 -3.525 1.00 0.00 C ATOM 219 CD1 ILE C 343 11.052 2.264 -3.981 1.00 0.00 C ATOM 0 H ILE C 343 8.575 -0.551 -2.841 1.00 0.00 H new ATOM 0 HA ILE C 343 7.863 1.833 -1.294 1.00 0.00 H new ATOM 0 HB ILE C 343 8.581 1.383 -4.236 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.265 2.599 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.370 0.907 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.888 3.842 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE C 343 7.212 3.416 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.341 3.943 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE C 343 12.087 2.238 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE C 343 10.919 1.548 -4.792 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.812 3.266 -4.338 1.00 0.00 H new ATOM 231 N CYS C 344 6.065 0.918 -3.925 1.00 0.00 N ATOM 232 CA CYS C 344 4.715 0.963 -4.485 1.00 0.00 C ATOM 233 C CYS C 344 3.841 -0.145 -3.905 1.00 0.00 C ATOM 234 O CYS C 344 2.675 -0.284 -4.274 1.00 0.00 O ATOM 235 CB CYS C 344 4.776 0.822 -6.010 1.00 0.00 C ATOM 236 SG CYS C 344 5.293 -0.858 -6.443 1.00 0.00 S ATOM 0 H CYS C 344 6.767 0.510 -4.542 1.00 0.00 H new ATOM 0 HA CYS C 344 4.273 1.924 -4.222 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.800 1.037 -6.445 1.00 0.00 H new ATOM 0 HB3 CYS C 344 5.476 1.547 -6.425 1.00 0.00 H new ATOM 0 HG CYS C 344 6.022 -0.824 -7.519 1.00 0.00 H new ATOM 241 N TRP C 345 4.410 -0.927 -2.996 1.00 0.00 N ATOM 242 CA TRP C 345 3.669 -2.019 -2.374 1.00 0.00 C ATOM 243 C TRP C 345 2.855 -2.784 -3.413 1.00 0.00 C ATOM 244 O TRP C 345 1.627 -2.835 -3.342 1.00 0.00 O ATOM 245 CB TRP C 345 2.734 -1.465 -1.298 1.00 0.00 C ATOM 246 CG TRP C 345 2.089 -2.605 -0.579 1.00 0.00 C ATOM 247 CD1 TRP C 345 0.786 -2.952 -0.684 1.00 0.00 C ATOM 248 CD2 TRP C 345 2.693 -3.557 0.346 1.00 0.00 C ATOM 249 NE1 TRP C 345 0.551 -4.053 0.116 1.00 0.00 N ATOM 250 CE2 TRP C 345 1.694 -4.463 0.773 1.00 0.00 C ATOM 251 CE3 TRP C 345 3.997 -3.719 0.851 1.00 0.00 C ATOM 252 CZ2 TRP C 345 1.978 -5.495 1.669 1.00 0.00 C ATOM 253 CZ3 TRP C 345 4.284 -4.756 1.753 1.00 0.00 C ATOM 254 CH2 TRP C 345 3.278 -5.642 2.161 1.00 0.00 C ATOM 0 H TRP C 345 5.373 -0.828 -2.675 1.00 0.00 H new ATOM 0 HA TRP C 345 4.385 -2.704 -1.920 1.00 0.00 H new ATOM 0 HB2 TRP C 345 3.293 -0.845 -0.597 1.00 0.00 H new ATOM 0 HB3 TRP C 345 1.975 -0.828 -1.751 1.00 0.00 H new ATOM 0 HD1 TRP C 345 0.049 -2.450 -1.294 1.00 0.00 H new ATOM 0 HE1 TRP C 345 -0.357 -4.508 0.210 1.00 0.00 H new ATOM 0 HE3 TRP C 345 4.780 -3.042 0.543 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 1.199 -6.175 1.980 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 5.287 -4.872 2.135 1.00 0.00 H new ATOM 0 HH2 TRP C 345 3.507 -6.437 2.855 1.00 0.00 H new ATOM 265 N ASP C 346 3.551 -3.376 -4.381 1.00 0.00 N ATOM 266 CA ASP C 346 2.887 -4.136 -5.438 1.00 0.00 C ATOM 267 C ASP C 346 3.832 -5.199 -6.000 1.00 0.00 C ATOM 268 O ASP C 346 4.827 -5.554 -5.366 1.00 0.00 O ATOM 269 CB ASP C 346 2.448 -3.186 -6.559 1.00 0.00 C ATOM 270 CG ASP C 346 1.380 -3.846 -7.426 1.00 0.00 C ATOM 271 OD1 ASP C 346 1.127 -5.022 -7.226 1.00 0.00 O ATOM 272 OD2 ASP C 346 0.830 -3.163 -8.274 1.00 0.00 O ATOM 0 H ASP C 346 4.568 -3.345 -4.456 1.00 0.00 H new ATOM 0 HA ASP C 346 2.011 -4.631 -5.020 1.00 0.00 H new ATOM 0 HB2 ASP C 346 2.058 -2.263 -6.130 1.00 0.00 H new ATOM 0 HB3 ASP C 346 3.307 -2.915 -7.172 1.00 0.00 H new ATOM 277 N SER C 347 3.512 -5.706 -7.188 1.00 0.00 N ATOM 278 CA SER C 347 4.335 -6.729 -7.831 1.00 0.00 C ATOM 279 C SER C 347 4.249 -6.599 -9.351 1.00 0.00 C ATOM 280 O SER C 347 3.161 -6.461 -9.909 1.00 0.00 O ATOM 281 CB SER C 347 3.857 -8.118 -7.404 1.00 0.00 C ATOM 282 OG SER C 347 4.279 -8.369 -6.071 1.00 0.00 O ATOM 0 H SER C 347 2.691 -5.426 -7.725 1.00 0.00 H new ATOM 0 HA SER C 347 5.372 -6.592 -7.524 1.00 0.00 H new ATOM 0 HB2 SER C 347 2.771 -8.178 -7.471 1.00 0.00 H new ATOM 0 HB3 SER C 347 4.261 -8.877 -8.075 1.00 0.00 H new ATOM 0 HG SER C 347 4.736 -9.235 -6.030 1.00 0.00 H new ATOM 288 N MET C 348 5.402 -6.651 -10.020 1.00 0.00 N ATOM 289 CA MET C 348 5.442 -6.543 -11.481 1.00 0.00 C ATOM 290 C MET C 348 6.587 -7.386 -12.036 1.00 0.00 C ATOM 291 O MET C 348 7.093 -8.282 -11.362 1.00 0.00 O ATOM 292 CB MET C 348 5.636 -5.085 -11.908 1.00 0.00 C ATOM 293 CG MET C 348 4.467 -4.236 -11.395 1.00 0.00 C ATOM 294 SD MET C 348 4.595 -2.556 -12.061 1.00 0.00 S ATOM 295 CE MET C 348 5.867 -1.941 -10.930 1.00 0.00 C ATOM 0 H MET C 348 6.314 -6.766 -9.579 1.00 0.00 H new ATOM 0 HA MET C 348 4.494 -6.907 -11.877 1.00 0.00 H new ATOM 0 HB2 MET C 348 6.577 -4.702 -11.513 1.00 0.00 H new ATOM 0 HB3 MET C 348 5.697 -5.019 -12.994 1.00 0.00 H new ATOM 0 HG2 MET C 348 3.520 -4.685 -11.694 1.00 0.00 H new ATOM 0 HG3 MET C 348 4.476 -4.207 -10.305 1.00 0.00 H new ATOM 0 HE1 MET C 348 5.971 -0.863 -11.051 1.00 0.00 H new ATOM 0 HE2 MET C 348 5.579 -2.165 -9.903 1.00 0.00 H new ATOM 0 HE3 MET C 348 6.818 -2.425 -11.154 1.00 0.00 H new ATOM 305 N GLN C 349 6.988 -7.099 -13.276 1.00 0.00 N ATOM 306 CA GLN C 349 8.072 -7.840 -13.922 1.00 0.00 C ATOM 307 C GLN C 349 9.383 -7.062 -13.849 1.00 0.00 C ATOM 308 O GLN C 349 10.462 -7.654 -13.786 1.00 0.00 O ATOM 309 CB GLN C 349 7.720 -8.091 -15.390 1.00 0.00 C ATOM 310 CG GLN C 349 6.458 -8.951 -15.475 1.00 0.00 C ATOM 311 CD GLN C 349 6.722 -10.333 -14.888 1.00 0.00 C ATOM 312 OE1 GLN C 349 7.662 -11.012 -15.296 1.00 0.00 O ATOM 313 NE2 GLN C 349 5.944 -10.791 -13.944 1.00 0.00 N ATOM 0 H GLN C 349 6.580 -6.362 -13.851 1.00 0.00 H new ATOM 0 HA GLN C 349 8.196 -8.788 -13.399 1.00 0.00 H new ATOM 0 HB2 GLN C 349 7.561 -7.143 -15.904 1.00 0.00 H new ATOM 0 HB3 GLN C 349 8.548 -8.591 -15.893 1.00 0.00 H new ATOM 0 HG2 GLN C 349 5.643 -8.468 -14.935 1.00 0.00 H new ATOM 0 HG3 GLN C 349 6.142 -9.044 -16.514 1.00 0.00 H new ATOM 0 HE21 GLN C 349 5.165 -10.226 -13.607 1.00 0.00 H new ATOM 0 HE22 GLN C 349 6.116 -11.713 -13.544 1.00 0.00 H new ATOM 322 N ALA C 350 9.288 -5.738 -13.857 1.00 0.00 N ATOM 323 CA ALA C 350 10.481 -4.903 -13.790 1.00 0.00 C ATOM 324 C ALA C 350 11.058 -4.909 -12.381 1.00 0.00 C ATOM 325 O ALA C 350 10.346 -4.666 -11.406 1.00 0.00 O ATOM 326 CB ALA C 350 10.143 -3.470 -14.201 1.00 0.00 C ATOM 0 H ALA C 350 8.408 -5.224 -13.909 1.00 0.00 H new ATOM 0 HA ALA C 350 11.224 -5.309 -14.477 1.00 0.00 H new ATOM 0 HB1 ALA C 350 11.041 -2.855 -14.147 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.760 -3.465 -15.221 1.00 0.00 H new ATOM 0 HB3 ALA C 350 9.387 -3.067 -13.528 1.00 0.00 H new ATOM 332 N ALA C 351 12.354 -5.192 -12.280 1.00 0.00 N ATOM 333 CA ALA C 351 13.020 -5.232 -10.983 1.00 0.00 C ATOM 334 C ALA C 351 14.503 -4.921 -11.126 1.00 0.00 C ATOM 335 O ALA C 351 15.272 -5.725 -11.653 1.00 0.00 O ATOM 336 CB ALA C 351 12.846 -6.611 -10.354 1.00 0.00 C ATOM 0 H ALA C 351 12.960 -5.396 -13.075 1.00 0.00 H new ATOM 0 HA ALA C 351 12.566 -4.477 -10.341 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.346 -6.635 -9.386 1.00 0.00 H new ATOM 0 HB2 ALA C 351 11.784 -6.818 -10.220 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.284 -7.366 -11.007 1.00 0.00 H new ATOM 342 N ARG C 352 14.894 -3.744 -10.642 1.00 0.00 N ATOM 343 CA ARG C 352 16.283 -3.305 -10.700 1.00 0.00 C ATOM 344 C ARG C 352 16.897 -3.370 -9.314 1.00 0.00 C ATOM 345 O ARG C 352 16.191 -3.247 -8.316 1.00 0.00 O ATOM 346 CB ARG C 352 16.352 -1.868 -11.217 1.00 0.00 C ATOM 347 CG ARG C 352 17.800 -1.540 -11.596 1.00 0.00 C ATOM 348 CD ARG C 352 17.858 -0.188 -12.300 1.00 0.00 C ATOM 349 NE ARG C 352 19.194 0.038 -12.836 1.00 0.00 N ATOM 350 CZ ARG C 352 19.493 1.156 -13.485 1.00 0.00 C ATOM 351 NH1 ARG C 352 18.587 2.083 -13.642 1.00 0.00 N ATOM 352 NH2 ARG C 352 20.693 1.329 -13.965 1.00 0.00 N ATOM 0 H ARG C 352 14.262 -3.074 -10.203 1.00 0.00 H new ATOM 0 HA ARG C 352 16.835 -3.959 -11.375 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.700 -1.748 -12.083 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.997 -1.176 -10.453 1.00 0.00 H new ATOM 0 HG2 ARG C 352 18.424 -1.522 -10.702 1.00 0.00 H new ATOM 0 HG3 ARG C 352 18.200 -2.317 -12.248 1.00 0.00 H new ATOM 0 HD2 ARG C 352 17.124 -0.156 -13.105 1.00 0.00 H new ATOM 0 HD3 ARG C 352 17.599 0.607 -11.601 1.00 0.00 H new ATOM 0 HE ARG C 352 19.912 -0.676 -12.710 1.00 0.00 H new ATOM 0 HH11 ARG C 352 17.649 1.948 -13.266 1.00 0.00 H new ATOM 0 HH12 ARG C 352 18.818 2.942 -14.141 1.00 0.00 H new ATOM 0 HH21 ARG C 352 21.401 0.605 -13.841 1.00 0.00 H new ATOM 0 HH22 ARG C 352 20.924 2.188 -14.464 1.00 0.00 H new ATOM 366 N LYS C 353 18.216 -3.550 -9.245 1.00 0.00 N ATOM 367 CA LYS C 353 18.905 -3.619 -7.958 1.00 0.00 C ATOM 368 C LYS C 353 19.631 -2.305 -7.677 1.00 0.00 C ATOM 369 O LYS C 353 20.460 -1.871 -8.477 1.00 0.00 O ATOM 370 CB LYS C 353 19.920 -4.766 -7.983 1.00 0.00 C ATOM 371 CG LYS C 353 20.582 -4.900 -6.612 1.00 0.00 C ATOM 372 CD LYS C 353 21.527 -6.104 -6.617 1.00 0.00 C ATOM 373 CE LYS C 353 22.181 -6.247 -5.242 1.00 0.00 C ATOM 374 NZ LYS C 353 21.133 -6.515 -4.216 1.00 0.00 N ATOM 0 H LYS C 353 18.824 -3.650 -10.058 1.00 0.00 H new ATOM 0 HA LYS C 353 18.170 -3.794 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.423 -5.698 -8.250 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.676 -4.579 -8.746 1.00 0.00 H new ATOM 0 HG2 LYS C 353 21.135 -3.991 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.822 -5.024 -5.840 1.00 0.00 H new ATOM 0 HD2 LYS C 353 20.976 -7.011 -6.865 1.00 0.00 H new ATOM 0 HD3 LYS C 353 22.292 -5.976 -7.383 1.00 0.00 H new ATOM 0 HE2 LYS C 353 22.907 -7.060 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS C 353 22.726 -5.337 -4.991 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 21.586 -6.729 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 20.526 -5.677 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 20.555 -7.326 -4.514 1.00 0.00 H new ATOM 388 N LEU C 354 19.310 -1.657 -6.555 1.00 0.00 N ATOM 389 CA LEU C 354 19.942 -0.375 -6.221 1.00 0.00 C ATOM 390 C LEU C 354 21.433 -0.561 -5.909 1.00 0.00 C ATOM 391 O LEU C 354 21.871 -1.675 -5.624 1.00 0.00 O ATOM 392 CB LEU C 354 19.228 0.282 -5.006 1.00 0.00 C ATOM 393 CG LEU C 354 18.124 1.240 -5.474 1.00 0.00 C ATOM 394 CD1 LEU C 354 16.985 0.424 -6.082 1.00 0.00 C ATOM 395 CD2 LEU C 354 17.601 2.031 -4.270 1.00 0.00 C ATOM 0 H LEU C 354 18.629 -1.990 -5.872 1.00 0.00 H new ATOM 0 HA LEU C 354 19.848 0.280 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.798 -0.491 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.955 0.825 -4.402 1.00 0.00 H new ATOM 0 HG LEU C 354 18.519 1.931 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.195 1.096 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU C 354 17.360 -0.148 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU C 354 16.586 -0.259 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU C 354 16.816 2.714 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU C 354 17.197 1.341 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU C 354 18.417 2.602 -3.827 1.00 0.00 H new ATOM 407 N PRO C 355 22.219 0.499 -5.951 1.00 0.00 N ATOM 408 CA PRO C 355 23.682 0.408 -5.656 1.00 0.00 C ATOM 409 C PRO C 355 23.952 -0.198 -4.271 1.00 0.00 C ATOM 410 O PRO C 355 25.006 -0.792 -4.041 1.00 0.00 O ATOM 411 CB PRO C 355 24.176 1.869 -5.716 1.00 0.00 C ATOM 412 CG PRO C 355 23.140 2.624 -6.489 1.00 0.00 C ATOM 413 CD PRO C 355 21.815 1.887 -6.286 1.00 0.00 C ATOM 0 HA PRO C 355 24.195 -0.243 -6.364 1.00 0.00 H new ATOM 0 HB2 PRO C 355 24.294 2.282 -4.714 1.00 0.00 H new ATOM 0 HB3 PRO C 355 25.149 1.932 -6.203 1.00 0.00 H new ATOM 0 HG2 PRO C 355 23.068 3.653 -6.137 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.401 2.666 -7.546 1.00 0.00 H new ATOM 0 HD2 PRO C 355 21.228 2.336 -5.484 1.00 0.00 H new ATOM 0 HD3 PRO C 355 21.201 1.917 -7.186 1.00 0.00 H new ATOM 421 N CYS C 356 23.002 -0.030 -3.352 1.00 0.00 N ATOM 422 CA CYS C 356 23.159 -0.551 -1.996 1.00 0.00 C ATOM 423 C CYS C 356 22.886 -2.053 -1.942 1.00 0.00 C ATOM 424 O CYS C 356 23.800 -2.850 -1.731 1.00 0.00 O ATOM 425 CB CYS C 356 22.207 0.181 -1.041 1.00 0.00 C ATOM 426 SG CYS C 356 20.581 0.352 -1.817 1.00 0.00 S ATOM 0 H CYS C 356 22.123 0.459 -3.520 1.00 0.00 H new ATOM 0 HA CYS C 356 24.191 -0.381 -1.688 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.118 -0.371 -0.106 1.00 0.00 H new ATOM 0 HB3 CYS C 356 22.608 1.164 -0.794 1.00 0.00 H new ATOM 0 HG CYS C 356 20.102 1.534 -1.565 1.00 0.00 H new ATOM 431 N GLY C 357 21.625 -2.435 -2.126 1.00 0.00 N ATOM 432 CA GLY C 357 21.249 -3.847 -2.088 1.00 0.00 C ATOM 433 C GLY C 357 19.747 -3.999 -1.870 1.00 0.00 C ATOM 434 O GLY C 357 19.306 -4.571 -0.871 1.00 0.00 O ATOM 0 H GLY C 357 20.852 -1.794 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.537 -4.330 -3.022 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.791 -4.351 -1.288 1.00 0.00 H new ATOM 438 N HIS C 358 18.966 -3.507 -2.829 1.00 0.00 N ATOM 439 CA HIS C 358 17.508 -3.596 -2.763 1.00 0.00 C ATOM 440 C HIS C 358 16.946 -3.751 -4.171 1.00 0.00 C ATOM 441 O HIS C 358 17.476 -3.167 -5.111 1.00 0.00 O ATOM 442 CB HIS C 358 16.937 -2.332 -2.112 1.00 0.00 C ATOM 443 CG HIS C 358 17.183 -2.383 -0.631 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.183 -1.643 -0.014 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.585 -3.112 0.366 1.00 0.00 C ATOM 446 CE1 HIS C 358 18.156 -1.949 1.299 1.00 0.00 C ATOM 447 NE2 HIS C 358 17.201 -2.837 1.582 1.00 0.00 N ATOM 0 H HIS C 358 19.320 -3.041 -3.664 1.00 0.00 H new ATOM 0 HA HIS C 358 17.226 -4.461 -2.163 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.405 -1.445 -2.540 1.00 0.00 H new ATOM 0 HB3 HIS C 358 15.868 -2.257 -2.313 1.00 0.00 H new ATOM 0 HD1 HIS C 358 18.820 -0.989 -0.469 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.761 -3.796 0.227 1.00 0.00 H new ATOM 0 HE1 HIS C 358 18.826 -1.526 2.033 1.00 0.00 H new ATOM 455 N LEU C 359 15.876 -4.538 -4.317 1.00 0.00 N ATOM 456 CA LEU C 359 15.272 -4.759 -5.639 1.00 0.00 C ATOM 457 C LEU C 359 14.042 -3.882 -5.813 1.00 0.00 C ATOM 458 O LEU C 359 13.034 -4.095 -5.145 1.00 0.00 O ATOM 459 CB LEU C 359 14.847 -6.229 -5.780 1.00 0.00 C ATOM 460 CG LEU C 359 16.047 -7.104 -6.161 1.00 0.00 C ATOM 461 CD1 LEU C 359 16.481 -6.821 -7.615 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.206 -6.825 -5.199 1.00 0.00 C ATOM 0 H LEU C 359 15.414 -5.027 -3.550 1.00 0.00 H new ATOM 0 HA LEU C 359 16.012 -4.507 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.417 -6.580 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.070 -6.317 -6.539 1.00 0.00 H new ATOM 0 HG LEU C 359 15.761 -8.153 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU C 359 17.334 -7.450 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU C 359 15.654 -7.040 -8.291 1.00 0.00 H new ATOM 0 HD13 LEU C 359 16.762 -5.772 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU C 359 18.060 -7.446 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU C 359 17.487 -5.774 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU C 359 16.896 -7.056 -4.180 1.00 0.00 H new ATOM 474 N PHE C 360 14.143 -2.904 -6.713 1.00 0.00 N ATOM 475 CA PHE C 360 13.048 -1.963 -6.975 1.00 0.00 C ATOM 476 C PHE C 360 12.693 -1.957 -8.460 1.00 0.00 C ATOM 477 O PHE C 360 13.543 -2.169 -9.318 1.00 0.00 O ATOM 478 CB PHE C 360 13.523 -0.566 -6.540 1.00 0.00 C ATOM 479 CG PHE C 360 13.508 -0.378 -5.014 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.946 -1.313 -4.110 1.00 0.00 C ATOM 481 CD2 PHE C 360 14.185 0.722 -4.496 1.00 0.00 C ATOM 482 CE1 PHE C 360 13.070 -1.111 -2.726 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.294 0.917 -3.131 1.00 0.00 C ATOM 484 CZ PHE C 360 13.742 0.006 -2.244 1.00 0.00 C ATOM 0 H PHE C 360 14.977 -2.740 -7.277 1.00 0.00 H new ATOM 0 HA PHE C 360 12.156 -2.256 -6.421 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.534 -0.399 -6.912 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.886 0.189 -7.000 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.423 -2.180 -4.485 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.633 1.436 -5.171 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.643 -1.824 -2.036 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.813 1.786 -2.753 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.834 0.164 -1.180 1.00 0.00 H new ATOM 494 N HIS C 361 11.419 -1.711 -8.738 1.00 0.00 N ATOM 495 CA HIS C 361 10.929 -1.688 -10.108 1.00 0.00 C ATOM 496 C HIS C 361 11.398 -0.430 -10.830 1.00 0.00 C ATOM 497 O HIS C 361 11.782 0.554 -10.198 1.00 0.00 O ATOM 498 CB HIS C 361 9.403 -1.740 -10.117 1.00 0.00 C ATOM 499 CG HIS C 361 8.942 -2.937 -9.336 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.620 -3.110 -8.951 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.614 -4.037 -8.870 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.544 -4.281 -8.289 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.731 -4.884 -8.210 1.00 0.00 N ATOM 0 H HIS C 361 10.707 -1.525 -8.032 1.00 0.00 H new ATOM 0 HA HIS C 361 11.328 -2.559 -10.627 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.994 -0.828 -9.682 1.00 0.00 H new ATOM 0 HB3 HIS C 361 9.036 -1.797 -11.142 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.671 -4.219 -8.997 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.632 -4.683 -7.873 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.945 -5.775 -7.762 1.00 0.00 H new ATOM 511 N ASN C 362 11.370 -0.473 -12.158 1.00 0.00 N ATOM 512 CA ASN C 362 11.803 0.669 -12.956 1.00 0.00 C ATOM 513 C ASN C 362 10.923 1.889 -12.694 1.00 0.00 C ATOM 514 O ASN C 362 11.427 2.979 -12.424 1.00 0.00 O ATOM 515 CB ASN C 362 11.738 0.307 -14.441 1.00 0.00 C ATOM 516 CG ASN C 362 12.152 1.503 -15.293 1.00 0.00 C ATOM 517 OD1 ASN C 362 12.882 2.376 -14.826 1.00 0.00 O ATOM 518 ND2 ASN C 362 11.727 1.591 -16.524 1.00 0.00 N ATOM 0 H ASN C 362 11.055 -1.278 -12.700 1.00 0.00 H new ATOM 0 HA ASN C 362 12.827 0.915 -12.674 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.394 -0.539 -14.646 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.727 -0.003 -14.703 1.00 0.00 H new ATOM 0 HD21 ASN C 362 12.000 2.386 -17.102 1.00 0.00 H new ATOM 0 HD22 ASN C 362 11.122 0.865 -16.908 1.00 0.00 H new ATOM 525 N SER C 363 9.609 1.705 -12.773 1.00 0.00 N ATOM 526 CA SER C 363 8.680 2.805 -12.540 1.00 0.00 C ATOM 527 C SER C 363 8.779 3.309 -11.103 1.00 0.00 C ATOM 528 O SER C 363 8.814 4.517 -10.853 1.00 0.00 O ATOM 529 CB SER C 363 7.252 2.337 -12.817 1.00 0.00 C ATOM 530 OG SER C 363 7.121 2.012 -14.193 1.00 0.00 O ATOM 0 H SER C 363 9.166 0.813 -12.994 1.00 0.00 H new ATOM 0 HA SER C 363 8.941 3.622 -13.212 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.017 1.468 -12.203 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.542 3.119 -12.548 1.00 0.00 H new ATOM 0 HG SER C 363 6.206 1.710 -14.372 1.00 0.00 H new ATOM 536 N CYS C 364 8.826 2.369 -10.166 1.00 0.00 N ATOM 537 CA CYS C 364 8.918 2.713 -8.753 1.00 0.00 C ATOM 538 C CYS C 364 10.235 3.406 -8.459 1.00 0.00 C ATOM 539 O CYS C 364 10.277 4.422 -7.766 1.00 0.00 O ATOM 540 CB CYS C 364 8.825 1.450 -7.896 1.00 0.00 C ATOM 541 SG CYS C 364 7.256 0.611 -8.218 1.00 0.00 S ATOM 0 H CYS C 364 8.802 1.368 -10.358 1.00 0.00 H new ATOM 0 HA CYS C 364 8.093 3.384 -8.514 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.658 0.784 -8.121 1.00 0.00 H new ATOM 0 HB3 CYS C 364 8.900 1.709 -6.840 1.00 0.00 H new ATOM 0 HG CYS C 364 6.644 0.388 -7.093 1.00 0.00 H new ATOM 546 N LEU C 365 11.313 2.838 -8.979 1.00 0.00 N ATOM 547 CA LEU C 365 12.631 3.403 -8.748 1.00 0.00 C ATOM 548 C LEU C 365 12.783 4.741 -9.449 1.00 0.00 C ATOM 549 O LEU C 365 13.007 5.765 -8.808 1.00 0.00 O ATOM 550 CB LEU C 365 13.706 2.435 -9.257 1.00 0.00 C ATOM 551 CG LEU C 365 15.107 3.022 -9.038 1.00 0.00 C ATOM 552 CD1 LEU C 365 15.319 3.360 -7.553 1.00 0.00 C ATOM 553 CD2 LEU C 365 16.145 2.001 -9.497 1.00 0.00 C ATOM 0 H LEU C 365 11.301 1.997 -9.556 1.00 0.00 H new ATOM 0 HA LEU C 365 12.751 3.559 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.620 1.481 -8.737 1.00 0.00 H new ATOM 0 HB3 LEU C 365 13.551 2.235 -10.317 1.00 0.00 H new ATOM 0 HG LEU C 365 15.212 3.941 -9.615 1.00 0.00 H new ATOM 0 HD11 LEU C 365 16.317 3.775 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU C 365 14.574 4.090 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU C 365 15.216 2.454 -6.955 1.00 0.00 H new ATOM 0 HD21 LEU C 365 17.146 2.406 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.034 1.084 -8.918 1.00 0.00 H new ATOM 0 HD23 LEU C 365 15.997 1.782 -10.555 1.00 0.00 H new ATOM 565 N ARG C 366 12.654 4.726 -10.770 1.00 0.00 N ATOM 566 CA ARG C 366 12.791 5.946 -11.550 1.00 0.00 C ATOM 567 C ARG C 366 12.045 7.085 -10.870 1.00 0.00 C ATOM 568 O ARG C 366 12.604 8.156 -10.649 1.00 0.00 O ATOM 569 CB ARG C 366 12.232 5.720 -12.955 1.00 0.00 C ATOM 570 CG ARG C 366 12.671 6.859 -13.872 1.00 0.00 C ATOM 571 CD ARG C 366 12.125 6.612 -15.278 1.00 0.00 C ATOM 572 NE ARG C 366 12.758 5.437 -15.870 1.00 0.00 N ATOM 573 CZ ARG C 366 12.351 4.954 -17.041 1.00 0.00 C ATOM 574 NH1 ARG C 366 11.362 5.523 -17.674 1.00 0.00 N ATOM 575 NH2 ARG C 366 12.941 3.911 -17.555 1.00 0.00 N ATOM 0 H ARG C 366 12.456 3.889 -11.318 1.00 0.00 H new ATOM 0 HA ARG C 366 13.846 6.211 -11.621 1.00 0.00 H new ATOM 0 HB2 ARG C 366 12.585 4.767 -13.348 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.144 5.667 -12.920 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.305 7.812 -13.489 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.759 6.923 -13.897 1.00 0.00 H new ATOM 0 HD2 ARG C 366 11.045 6.469 -15.236 1.00 0.00 H new ATOM 0 HD3 ARG C 366 12.307 7.485 -15.904 1.00 0.00 H new ATOM 0 HE ARG C 366 13.525 4.979 -15.378 1.00 0.00 H new ATOM 0 HH11 ARG C 366 10.900 6.339 -17.271 1.00 0.00 H new ATOM 0 HH12 ARG C 366 11.050 5.152 -18.572 1.00 0.00 H new ATOM 0 HH21 ARG C 366 13.714 3.466 -17.059 1.00 0.00 H new ATOM 0 HH22 ARG C 366 12.630 3.540 -18.453 1.00 0.00 H new ATOM 589 N SER C 367 10.792 6.839 -10.528 1.00 0.00 N ATOM 590 CA SER C 367 9.999 7.861 -9.865 1.00 0.00 C ATOM 591 C SER C 367 10.684 8.286 -8.568 1.00 0.00 C ATOM 592 O SER C 367 10.749 9.475 -8.249 1.00 0.00 O ATOM 593 CB SER C 367 8.601 7.328 -9.562 1.00 0.00 C ATOM 594 OG SER C 367 7.830 8.353 -8.952 1.00 0.00 O ATOM 0 H SER C 367 10.308 5.957 -10.694 1.00 0.00 H new ATOM 0 HA SER C 367 9.912 8.724 -10.525 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.120 6.993 -10.481 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.664 6.463 -8.902 1.00 0.00 H new ATOM 0 HG SER C 367 6.931 8.014 -8.758 1.00 0.00 H new ATOM 600 N TRP C 368 11.193 7.308 -7.823 1.00 0.00 N ATOM 601 CA TRP C 368 11.870 7.595 -6.562 1.00 0.00 C ATOM 602 C TRP C 368 13.124 8.441 -6.791 1.00 0.00 C ATOM 603 O TRP C 368 13.356 9.418 -6.085 1.00 0.00 O ATOM 604 CB TRP C 368 12.266 6.288 -5.868 1.00 0.00 C ATOM 605 CG TRP C 368 12.612 6.566 -4.439 1.00 0.00 C ATOM 606 CD1 TRP C 368 13.865 6.696 -3.943 1.00 0.00 C ATOM 607 CD2 TRP C 368 11.706 6.749 -3.316 1.00 0.00 C ATOM 608 NE1 TRP C 368 13.783 6.953 -2.585 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.472 6.991 -2.152 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.306 6.728 -3.198 1.00 0.00 C ATOM 611 CZ2 TRP C 368 11.869 7.207 -0.912 1.00 0.00 C ATOM 612 CZ3 TRP C 368 9.694 6.943 -1.952 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.474 7.181 -0.812 1.00 0.00 C ATOM 0 H TRP C 368 11.150 6.319 -8.068 1.00 0.00 H new ATOM 0 HA TRP C 368 11.179 8.154 -5.931 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.446 5.572 -5.922 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.117 5.836 -6.378 1.00 0.00 H new ATOM 0 HD1 TRP C 368 14.779 6.613 -4.513 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.591 7.097 -1.979 1.00 0.00 H new ATOM 0 HE3 TRP C 368 9.697 6.545 -4.071 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.474 7.393 -0.037 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 8.617 6.925 -1.872 1.00 0.00 H new ATOM 0 HH2 TRP C 368 9.998 7.344 0.144 1.00 0.00 H new ATOM 624 N LEU C 369 13.932 8.050 -7.775 1.00 0.00 N ATOM 625 CA LEU C 369 15.168 8.782 -8.070 1.00 0.00 C ATOM 626 C LEU C 369 14.851 10.193 -8.557 1.00 0.00 C ATOM 627 O LEU C 369 15.585 11.140 -8.272 1.00 0.00 O ATOM 628 CB LEU C 369 16.009 8.046 -9.126 1.00 0.00 C ATOM 629 CG LEU C 369 16.196 6.573 -8.736 1.00 0.00 C ATOM 630 CD1 LEU C 369 17.235 5.924 -9.653 1.00 0.00 C ATOM 631 CD2 LEU C 369 16.649 6.446 -7.274 1.00 0.00 C ATOM 0 H LEU C 369 13.760 7.243 -8.375 1.00 0.00 H new ATOM 0 HA LEU C 369 15.745 8.843 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.520 8.111 -10.098 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.982 8.528 -9.225 1.00 0.00 H new ATOM 0 HG LEU C 369 15.238 6.064 -8.847 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.365 4.879 -9.373 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.895 5.983 -10.687 1.00 0.00 H new ATOM 0 HD13 LEU C 369 18.186 6.447 -9.553 1.00 0.00 H new ATOM 0 HD21 LEU C 369 16.774 5.393 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU C 369 17.597 6.967 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU C 369 15.897 6.888 -6.620 1.00 0.00 H new ATOM 643 N GLU C 370 13.743 10.330 -9.278 1.00 0.00 N ATOM 644 CA GLU C 370 13.331 11.636 -9.781 1.00 0.00 C ATOM 645 C GLU C 370 12.942 12.553 -8.622 1.00 0.00 C ATOM 646 O GLU C 370 13.226 13.751 -8.646 1.00 0.00 O ATOM 647 CB GLU C 370 12.155 11.488 -10.751 1.00 0.00 C ATOM 648 CG GLU C 370 12.654 10.922 -12.086 1.00 0.00 C ATOM 649 CD GLU C 370 11.475 10.644 -13.011 1.00 0.00 C ATOM 650 OE1 GLU C 370 10.354 10.921 -12.613 1.00 0.00 O ATOM 651 OE2 GLU C 370 11.708 10.156 -14.105 1.00 0.00 O ATOM 0 H GLU C 370 13.120 9.561 -9.525 1.00 0.00 H new ATOM 0 HA GLU C 370 14.171 12.081 -10.314 1.00 0.00 H new ATOM 0 HB2 GLU C 370 11.400 10.827 -10.324 1.00 0.00 H new ATOM 0 HB3 GLU C 370 11.679 12.455 -10.910 1.00 0.00 H new ATOM 0 HG2 GLU C 370 13.337 11.629 -12.557 1.00 0.00 H new ATOM 0 HG3 GLU C 370 13.215 10.004 -11.913 1.00 0.00 H new ATOM 658 N GLN C 371 12.295 11.984 -7.605 1.00 0.00 N ATOM 659 CA GLN C 371 11.875 12.764 -6.440 1.00 0.00 C ATOM 660 C GLN C 371 13.009 12.872 -5.420 1.00 0.00 C ATOM 661 O GLN C 371 13.389 13.971 -5.016 1.00 0.00 O ATOM 662 CB GLN C 371 10.659 12.106 -5.783 1.00 0.00 C ATOM 663 CG GLN C 371 10.137 13.000 -4.655 1.00 0.00 C ATOM 664 CD GLN C 371 8.910 12.364 -4.009 1.00 0.00 C ATOM 665 OE1 GLN C 371 8.995 11.268 -3.457 1.00 0.00 O ATOM 666 NE2 GLN C 371 7.766 12.991 -4.047 1.00 0.00 N ATOM 0 H GLN C 371 12.052 10.994 -7.563 1.00 0.00 H new ATOM 0 HA GLN C 371 11.612 13.766 -6.777 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.876 11.944 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.932 11.127 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN C 371 10.916 13.148 -3.907 1.00 0.00 H new ATOM 0 HG3 GLN C 371 9.882 13.984 -5.048 1.00 0.00 H new ATOM 0 HE21 GLN C 371 7.697 13.900 -4.505 1.00 0.00 H new ATOM 0 HE22 GLN C 371 6.940 12.572 -3.619 1.00 0.00 H new ATOM 675 N ASP C 372 13.543 11.721 -5.007 1.00 0.00 N ATOM 676 CA ASP C 372 14.632 11.687 -4.028 1.00 0.00 C ATOM 677 C ASP C 372 15.623 10.572 -4.360 1.00 0.00 C ATOM 678 O ASP C 372 15.230 9.444 -4.651 1.00 0.00 O ATOM 679 CB ASP C 372 14.067 11.455 -2.623 1.00 0.00 C ATOM 680 CG ASP C 372 15.179 11.571 -1.586 1.00 0.00 C ATOM 681 OD1 ASP C 372 16.326 11.678 -1.985 1.00 0.00 O ATOM 682 OD2 ASP C 372 14.867 11.552 -0.406 1.00 0.00 O ATOM 0 H ASP C 372 13.241 10.803 -5.334 1.00 0.00 H new ATOM 0 HA ASP C 372 15.150 12.645 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP C 372 13.285 12.184 -2.412 1.00 0.00 H new ATOM 0 HB3 ASP C 372 13.607 10.468 -2.566 1.00 0.00 H new ATOM 687 N THR C 373 16.912 10.898 -4.307 1.00 0.00 N ATOM 688 CA THR C 373 17.966 9.925 -4.597 1.00 0.00 C ATOM 689 C THR C 373 18.411 9.230 -3.317 1.00 0.00 C ATOM 690 O THR C 373 19.489 8.644 -3.261 1.00 0.00 O ATOM 691 CB THR C 373 19.161 10.629 -5.251 1.00 0.00 C ATOM 692 OG1 THR C 373 19.443 11.831 -4.548 1.00 0.00 O ATOM 693 CG2 THR C 373 18.834 10.952 -6.713 1.00 0.00 C ATOM 0 H THR C 373 17.254 11.828 -4.066 1.00 0.00 H new ATOM 0 HA THR C 373 17.572 9.176 -5.284 1.00 0.00 H new ATOM 0 HB THR C 373 20.031 9.974 -5.215 1.00 0.00 H new ATOM 0 HG1 THR C 373 20.208 12.281 -4.964 1.00 0.00 H new ATOM 0 HG21 THR C 373 19.686 11.452 -7.174 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.621 10.028 -7.251 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.963 11.606 -6.755 1.00 0.00 H new ATOM 701 N SER C 374 17.570 9.285 -2.287 1.00 0.00 N ATOM 702 CA SER C 374 17.888 8.635 -1.018 1.00 0.00 C ATOM 703 C SER C 374 17.381 7.205 -1.026 1.00 0.00 C ATOM 704 O SER C 374 16.419 6.880 -1.719 1.00 0.00 O ATOM 705 CB SER C 374 17.270 9.399 0.153 1.00 0.00 C ATOM 706 OG SER C 374 15.936 8.949 0.354 1.00 0.00 O ATOM 0 H SER C 374 16.672 9.768 -2.305 1.00 0.00 H new ATOM 0 HA SER C 374 18.971 8.632 -0.896 1.00 0.00 H new ATOM 0 HB2 SER C 374 17.859 9.242 1.056 1.00 0.00 H new ATOM 0 HB3 SER C 374 17.278 10.470 -0.051 1.00 0.00 H new ATOM 0 HG SER C 374 15.313 9.687 0.188 1.00 0.00 H new ATOM 712 N CYS C 375 18.039 6.350 -0.254 1.00 0.00 N ATOM 713 CA CYS C 375 17.647 4.943 -0.183 1.00 0.00 C ATOM 714 C CYS C 375 16.509 4.736 0.842 1.00 0.00 C ATOM 715 O CYS C 375 16.717 4.928 2.033 1.00 0.00 O ATOM 716 CB CYS C 375 18.848 4.098 0.231 1.00 0.00 C ATOM 717 SG CYS C 375 18.350 2.361 0.316 1.00 0.00 S ATOM 0 H CYS C 375 18.839 6.600 0.327 1.00 0.00 H new ATOM 0 HA CYS C 375 17.293 4.638 -1.168 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.660 4.222 -0.486 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.225 4.429 1.199 1.00 0.00 H new ATOM 0 HG CYS C 375 19.214 1.696 1.024 1.00 0.00 H new ATOM 722 N PRO C 376 15.323 4.343 0.425 1.00 0.00 N ATOM 723 CA PRO C 376 14.180 4.122 1.368 1.00 0.00 C ATOM 724 C PRO C 376 14.570 3.293 2.594 1.00 0.00 C ATOM 725 O PRO C 376 14.006 3.467 3.673 1.00 0.00 O ATOM 726 CB PRO C 376 13.141 3.366 0.520 1.00 0.00 C ATOM 727 CG PRO C 376 13.435 3.735 -0.900 1.00 0.00 C ATOM 728 CD PRO C 376 14.931 4.078 -0.966 1.00 0.00 C ATOM 0 HA PRO C 376 13.814 5.066 1.772 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.221 2.289 0.670 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.126 3.652 0.797 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.197 2.910 -1.571 1.00 0.00 H new ATOM 0 HG3 PRO C 376 12.829 4.585 -1.212 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.506 3.254 -1.388 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.109 4.948 -1.599 1.00 0.00 H new ATOM 736 N THR C 377 15.528 2.385 2.421 1.00 0.00 N ATOM 737 CA THR C 377 15.972 1.526 3.524 1.00 0.00 C ATOM 738 C THR C 377 17.286 2.018 4.118 1.00 0.00 C ATOM 739 O THR C 377 17.350 2.363 5.298 1.00 0.00 O ATOM 740 CB THR C 377 16.139 0.092 3.019 1.00 0.00 C ATOM 741 OG1 THR C 377 14.872 -0.415 2.620 1.00 0.00 O ATOM 742 CG2 THR C 377 16.712 -0.789 4.133 1.00 0.00 C ATOM 0 H THR C 377 16.010 2.223 1.537 1.00 0.00 H new ATOM 0 HA THR C 377 15.215 1.559 4.308 1.00 0.00 H new ATOM 0 HB THR C 377 16.823 0.086 2.170 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.991 -1.279 2.174 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.828 -1.809 3.767 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.683 -0.401 4.441 1.00 0.00 H new ATOM 0 HG23 THR C 377 16.033 -0.785 4.986 1.00 0.00 H new ATOM 750 N CYS C 378 18.336 2.041 3.307 1.00 0.00 N ATOM 751 CA CYS C 378 19.635 2.483 3.796 1.00 0.00 C ATOM 752 C CYS C 378 19.615 3.976 4.144 1.00 0.00 C ATOM 753 O CYS C 378 20.422 4.430 4.953 1.00 0.00 O ATOM 754 CB CYS C 378 20.735 2.187 2.764 1.00 0.00 C ATOM 755 SG CYS C 378 20.328 0.673 1.862 1.00 0.00 S ATOM 0 H CYS C 378 18.316 1.764 2.325 1.00 0.00 H new ATOM 0 HA CYS C 378 19.856 1.925 4.706 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.830 3.022 2.070 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.697 2.077 3.264 1.00 0.00 H new ATOM 0 HG CYS C 378 20.430 0.889 0.584 1.00 0.00 H new ATOM 760 N ARG C 379 18.713 4.732 3.508 1.00 0.00 N ATOM 761 CA ARG C 379 18.607 6.177 3.742 1.00 0.00 C ATOM 762 C ARG C 379 19.879 6.886 3.305 1.00 0.00 C ATOM 763 O ARG C 379 20.179 7.991 3.759 1.00 0.00 O ATOM 764 CB ARG C 379 18.327 6.467 5.220 1.00 0.00 C ATOM 765 CG ARG C 379 16.993 5.832 5.610 1.00 0.00 C ATOM 766 CD ARG C 379 16.741 6.062 7.098 1.00 0.00 C ATOM 767 NE ARG C 379 15.484 5.438 7.498 1.00 0.00 N ATOM 768 CZ ARG C 379 15.114 5.408 8.771 1.00 0.00 C ATOM 769 NH1 ARG C 379 15.882 5.938 9.683 1.00 0.00 N ATOM 770 NH2 ARG C 379 13.984 4.849 9.112 1.00 0.00 N ATOM 0 H ARG C 379 18.046 4.368 2.828 1.00 0.00 H new ATOM 0 HA ARG C 379 17.774 6.554 3.148 1.00 0.00 H new ATOM 0 HB2 ARG C 379 19.129 6.067 5.840 1.00 0.00 H new ATOM 0 HB3 ARG C 379 18.296 7.543 5.393 1.00 0.00 H new ATOM 0 HG2 ARG C 379 16.185 6.266 5.021 1.00 0.00 H new ATOM 0 HG3 ARG C 379 17.008 4.764 5.393 1.00 0.00 H new ATOM 0 HD2 ARG C 379 17.563 5.648 7.682 1.00 0.00 H new ATOM 0 HD3 ARG C 379 16.708 7.131 7.308 1.00 0.00 H new ATOM 0 HE ARG C 379 14.882 5.019 6.789 1.00 0.00 H new ATOM 0 HH11 ARG C 379 16.765 6.374 9.416 1.00 0.00 H new ATOM 0 HH12 ARG C 379 15.600 5.916 10.663 1.00 0.00 H new ATOM 0 HH21 ARG C 379 13.384 4.434 8.399 1.00 0.00 H new ATOM 0 HH22 ARG C 379 13.701 4.827 10.092 1.00 0.00 H new ATOM 784 N MET C 380 20.627 6.243 2.407 1.00 0.00 N ATOM 785 CA MET C 380 21.870 6.811 1.892 1.00 0.00 C ATOM 786 C MET C 380 21.682 7.338 0.472 1.00 0.00 C ATOM 787 O MET C 380 21.130 6.656 -0.395 1.00 0.00 O ATOM 788 CB MET C 380 22.969 5.746 1.891 1.00 0.00 C ATOM 789 CG MET C 380 24.300 6.386 1.492 1.00 0.00 C ATOM 790 SD MET C 380 25.611 5.138 1.540 1.00 0.00 S ATOM 791 CE MET C 380 25.397 4.517 -0.146 1.00 0.00 C ATOM 0 H MET C 380 20.392 5.328 2.022 1.00 0.00 H new ATOM 0 HA MET C 380 22.157 7.639 2.540 1.00 0.00 H new ATOM 0 HB2 MET C 380 23.053 5.294 2.879 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.715 4.947 1.195 1.00 0.00 H new ATOM 0 HG2 MET C 380 24.225 6.811 0.491 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.539 7.206 2.170 1.00 0.00 H new ATOM 0 HE1 MET C 380 26.119 3.723 -0.336 1.00 0.00 H new ATOM 0 HE2 MET C 380 24.387 4.124 -0.264 1.00 0.00 H new ATOM 0 HE3 MET C 380 25.556 5.329 -0.856 1.00 0.00 H new ATOM 801 N SER C 381 22.152 8.562 0.249 1.00 0.00 N ATOM 802 CA SER C 381 22.061 9.192 -1.064 1.00 0.00 C ATOM 803 C SER C 381 22.958 8.468 -2.061 1.00 0.00 C ATOM 804 O SER C 381 24.182 8.599 -2.019 1.00 0.00 O ATOM 805 CB SER C 381 22.475 10.661 -0.972 1.00 0.00 C ATOM 806 OG SER C 381 21.874 11.247 0.175 1.00 0.00 O ATOM 0 H SER C 381 22.600 9.138 0.962 1.00 0.00 H new ATOM 0 HA SER C 381 21.028 9.132 -1.407 1.00 0.00 H new ATOM 0 HB2 SER C 381 23.560 10.742 -0.910 1.00 0.00 H new ATOM 0 HB3 SER C 381 22.167 11.195 -1.871 1.00 0.00 H new ATOM 0 HG SER C 381 22.139 12.188 0.238 1.00 0.00 H new ATOM 812 N LEU C 382 22.342 7.702 -2.958 1.00 0.00 N ATOM 813 CA LEU C 382 23.098 6.962 -3.960 1.00 0.00 C ATOM 814 C LEU C 382 23.837 7.928 -4.885 1.00 0.00 C ATOM 815 O LEU C 382 23.245 8.870 -5.410 1.00 0.00 O ATOM 816 CB LEU C 382 22.153 6.080 -4.803 1.00 0.00 C ATOM 817 CG LEU C 382 20.850 6.857 -5.159 1.00 0.00 C ATOM 818 CD1 LEU C 382 20.561 6.758 -6.665 1.00 0.00 C ATOM 819 CD2 LEU C 382 19.652 6.280 -4.389 1.00 0.00 C ATOM 0 H LEU C 382 21.331 7.579 -3.010 1.00 0.00 H new ATOM 0 HA LEU C 382 23.819 6.329 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU C 382 22.658 5.767 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU C 382 21.903 5.174 -4.251 1.00 0.00 H new ATOM 0 HG LEU C 382 20.996 7.901 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU C 382 19.648 7.306 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU C 382 21.393 7.186 -7.224 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.437 5.712 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU C 382 18.751 6.835 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU C 382 19.521 5.230 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU C 382 19.833 6.365 -3.318 1.00 0.00 H new