USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 417 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 373 THR OG1 : rot 60:sc= 0.0294 USER MOD Set 1.2: C 383 ASN : amide:sc= -0.0485 K(o=-0.019,f=-1.4!) USER MOD Single : C 330 THR OG1 : rot 180:sc= 0.037 USER MOD Single : C 337 ASN : amide:sc= -0.0651 K(o=-0.065,f=-1.5) USER MOD Single : C 338 ASN : amide:sc= -2.21 K(o=-2.2,f=-5.9!) USER MOD Single : C 347 SER OG : rot -81:sc= 0.913 USER MOD Single : C 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 349 GLN : amide:sc= 0.259 K(o=0.26,f=-1.2) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 358 HIS : no HE2:sc= -0.153 K(o=-0.15,f=-8!) USER MOD Single : C 361 HIS : no HD1:sc= -3.55! K(o=-3.5!,f=-2.3) USER MOD Single : C 362 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.0212 K(o=-0.021,f=-1.7!) USER MOD Single : C 374 SER OG : rot -114:sc= 0.411 USER MOD Single : C 377 THR OG1 : rot 180: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 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 15.741 -0.546 -18.076 1.00 0.00 N ATOM 2 CA ALA C 327 17.142 -0.533 -17.571 1.00 0.00 C ATOM 3 C ALA C 327 17.319 -1.645 -16.546 1.00 0.00 C ATOM 4 O ALA C 327 17.898 -1.429 -15.483 1.00 0.00 O ATOM 5 CB ALA C 327 17.438 0.821 -16.921 1.00 0.00 C ATOM 0 HA ALA C 327 17.832 -0.692 -18.400 1.00 0.00 H new ATOM 0 HB1 ALA C 327 18.463 0.831 -16.551 1.00 0.00 H new ATOM 0 HB2 ALA C 327 17.310 1.614 -17.658 1.00 0.00 H new ATOM 0 HB3 ALA C 327 16.751 0.984 -16.090 1.00 0.00 H new ATOM 11 N VAL C 328 16.823 -2.836 -16.871 1.00 0.00 N ATOM 12 CA VAL C 328 16.931 -3.979 -15.964 1.00 0.00 C ATOM 13 C VAL C 328 18.022 -4.925 -16.444 1.00 0.00 C ATOM 14 O VAL C 328 17.876 -5.594 -17.467 1.00 0.00 O ATOM 15 CB VAL C 328 15.597 -4.730 -15.916 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.725 -5.947 -14.988 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.497 -3.787 -15.402 1.00 0.00 C ATOM 0 H VAL C 328 16.345 -3.036 -17.750 1.00 0.00 H new ATOM 0 HA VAL C 328 17.182 -3.614 -14.968 1.00 0.00 H new ATOM 0 HB VAL C 328 15.334 -5.073 -16.916 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.775 -6.481 -14.955 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.502 -6.612 -15.365 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.989 -5.613 -13.985 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.547 -4.321 -15.368 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.754 -3.439 -14.402 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.409 -2.932 -16.072 1.00 0.00 H new ATOM 27 N ALA C 329 19.120 -4.973 -15.696 1.00 0.00 N ATOM 28 CA ALA C 329 20.244 -5.837 -16.046 1.00 0.00 C ATOM 29 C ALA C 329 20.057 -7.218 -15.440 1.00 0.00 C ATOM 30 O ALA C 329 20.576 -8.210 -15.955 1.00 0.00 O ATOM 31 CB ALA C 329 21.549 -5.228 -15.526 1.00 0.00 C ATOM 0 H ALA C 329 19.256 -4.426 -14.846 1.00 0.00 H new ATOM 0 HA ALA C 329 20.289 -5.927 -17.131 1.00 0.00 H new ATOM 0 HB1 ALA C 329 22.384 -5.877 -15.790 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.697 -4.246 -15.975 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.497 -5.127 -14.442 1.00 0.00 H new ATOM 37 N THR C 330 19.324 -7.279 -14.337 1.00 0.00 N ATOM 38 CA THR C 330 19.095 -8.553 -13.667 1.00 0.00 C ATOM 39 C THR C 330 18.108 -9.418 -14.460 1.00 0.00 C ATOM 40 O THR C 330 17.171 -8.896 -15.069 1.00 0.00 O ATOM 41 CB THR C 330 18.542 -8.317 -12.255 1.00 0.00 C ATOM 42 OG1 THR C 330 17.580 -7.274 -12.291 1.00 0.00 O ATOM 43 CG2 THR C 330 19.679 -7.931 -11.304 1.00 0.00 C ATOM 0 H THR C 330 18.883 -6.474 -13.892 1.00 0.00 H new ATOM 0 HA THR C 330 20.049 -9.076 -13.603 1.00 0.00 H new ATOM 0 HB THR C 330 18.074 -9.234 -11.898 1.00 0.00 H new ATOM 0 HG1 THR C 330 17.226 -7.125 -11.390 1.00 0.00 H new ATOM 0 HG21 THR C 330 19.277 -7.766 -10.304 1.00 0.00 H new ATOM 0 HG22 THR C 330 20.414 -8.735 -11.271 1.00 0.00 H new ATOM 0 HG23 THR C 330 20.156 -7.017 -11.659 1.00 0.00 H new ATOM 51 N PRO C 331 18.284 -10.721 -14.452 1.00 0.00 N ATOM 52 CA PRO C 331 17.374 -11.662 -15.173 1.00 0.00 C ATOM 53 C PRO C 331 16.035 -11.828 -14.460 1.00 0.00 C ATOM 54 O PRO C 331 15.904 -11.516 -13.276 1.00 0.00 O ATOM 55 CB PRO C 331 18.155 -12.981 -15.171 1.00 0.00 C ATOM 56 CG PRO C 331 18.980 -12.919 -13.929 1.00 0.00 C ATOM 57 CD PRO C 331 19.365 -11.451 -13.757 1.00 0.00 C ATOM 0 HA PRO C 331 17.121 -11.305 -16.171 1.00 0.00 H new ATOM 0 HB2 PRO C 331 17.484 -13.840 -15.161 1.00 0.00 H new ATOM 0 HB3 PRO C 331 18.780 -13.075 -16.059 1.00 0.00 H new ATOM 0 HG2 PRO C 331 18.417 -13.279 -13.068 1.00 0.00 H new ATOM 0 HG3 PRO C 331 19.866 -13.548 -14.016 1.00 0.00 H new ATOM 0 HD2 PRO C 331 19.423 -11.173 -12.705 1.00 0.00 H new ATOM 0 HD3 PRO C 331 20.339 -11.238 -14.197 1.00 0.00 H new ATOM 65 N GLU C 332 15.048 -12.333 -15.187 1.00 0.00 N ATOM 66 CA GLU C 332 13.734 -12.554 -14.610 1.00 0.00 C ATOM 67 C GLU C 332 13.839 -13.511 -13.431 1.00 0.00 C ATOM 68 O GLU C 332 12.987 -13.520 -12.550 1.00 0.00 O ATOM 69 CB GLU C 332 12.787 -13.137 -15.665 1.00 0.00 C ATOM 70 CG GLU C 332 12.500 -12.097 -16.748 1.00 0.00 C ATOM 71 CD GLU C 332 11.769 -10.899 -16.150 1.00 0.00 C ATOM 72 OE1 GLU C 332 11.190 -11.061 -15.090 1.00 0.00 O ATOM 73 OE2 GLU C 332 11.805 -9.843 -16.757 1.00 0.00 O ATOM 0 H GLU C 332 15.133 -12.595 -16.169 1.00 0.00 H new ATOM 0 HA GLU C 332 13.337 -11.600 -14.264 1.00 0.00 H new ATOM 0 HB2 GLU C 332 13.232 -14.026 -16.113 1.00 0.00 H new ATOM 0 HB3 GLU C 332 11.855 -13.450 -15.195 1.00 0.00 H new ATOM 0 HG2 GLU C 332 13.434 -11.771 -17.205 1.00 0.00 H new ATOM 0 HG3 GLU C 332 11.896 -12.542 -17.539 1.00 0.00 H new ATOM 80 N GLU C 333 14.894 -14.313 -13.414 1.00 0.00 N ATOM 81 CA GLU C 333 15.088 -15.259 -12.328 1.00 0.00 C ATOM 82 C GLU C 333 14.991 -14.549 -10.984 1.00 0.00 C ATOM 83 O GLU C 333 14.231 -14.963 -10.106 1.00 0.00 O ATOM 84 CB GLU C 333 16.468 -15.918 -12.468 1.00 0.00 C ATOM 85 CG GLU C 333 16.437 -16.941 -13.603 1.00 0.00 C ATOM 86 CD GLU C 333 17.810 -17.584 -13.761 1.00 0.00 C ATOM 87 OE1 GLU C 333 18.690 -17.262 -12.977 1.00 0.00 O ATOM 88 OE2 GLU C 333 17.964 -18.392 -14.662 1.00 0.00 O ATOM 0 H GLU C 333 15.620 -14.328 -14.131 1.00 0.00 H new ATOM 0 HA GLU C 333 14.311 -16.021 -12.377 1.00 0.00 H new ATOM 0 HB2 GLU C 333 17.225 -15.160 -12.669 1.00 0.00 H new ATOM 0 HB3 GLU C 333 16.745 -16.406 -11.533 1.00 0.00 H new ATOM 0 HG2 GLU C 333 15.690 -17.706 -13.394 1.00 0.00 H new ATOM 0 HG3 GLU C 333 16.144 -16.455 -14.534 1.00 0.00 H new ATOM 95 N LEU C 334 15.752 -13.477 -10.830 1.00 0.00 N ATOM 96 CA LEU C 334 15.726 -12.723 -9.587 1.00 0.00 C ATOM 97 C LEU C 334 14.419 -11.964 -9.431 1.00 0.00 C ATOM 98 O LEU C 334 13.828 -11.942 -8.353 1.00 0.00 O ATOM 99 CB LEU C 334 16.905 -11.738 -9.552 1.00 0.00 C ATOM 100 CG LEU C 334 16.851 -10.869 -8.277 1.00 0.00 C ATOM 101 CD1 LEU C 334 16.851 -11.776 -7.031 1.00 0.00 C ATOM 102 CD2 LEU C 334 18.068 -9.912 -8.249 1.00 0.00 C ATOM 0 H LEU C 334 16.387 -13.113 -11.540 1.00 0.00 H new ATOM 0 HA LEU C 334 15.811 -13.428 -8.760 1.00 0.00 H new ATOM 0 HB2 LEU C 334 17.846 -12.288 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU C 334 16.878 -11.099 -10.435 1.00 0.00 H new ATOM 0 HG LEU C 334 15.937 -10.275 -8.278 1.00 0.00 H new ATOM 0 HD11 LEU C 334 16.813 -11.160 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU C 334 15.981 -12.432 -7.058 1.00 0.00 H new ATOM 0 HD13 LEU C 334 17.759 -12.378 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU C 334 18.028 -9.299 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU C 334 18.989 -10.495 -8.251 1.00 0.00 H new ATOM 0 HD23 LEU C 334 18.044 -9.267 -9.128 1.00 0.00 H new ATOM 114 N ALA C 335 13.982 -11.330 -10.510 1.00 0.00 N ATOM 115 CA ALA C 335 12.752 -10.556 -10.473 1.00 0.00 C ATOM 116 C ALA C 335 11.567 -11.444 -10.123 1.00 0.00 C ATOM 117 O ALA C 335 10.789 -11.137 -9.219 1.00 0.00 O ATOM 118 CB ALA C 335 12.521 -9.899 -11.836 1.00 0.00 C ATOM 0 H ALA C 335 14.456 -11.336 -11.413 1.00 0.00 H new ATOM 0 HA ALA C 335 12.846 -9.788 -9.706 1.00 0.00 H new ATOM 0 HB1 ALA C 335 11.599 -9.319 -11.809 1.00 0.00 H new ATOM 0 HB2 ALA C 335 13.358 -9.240 -12.069 1.00 0.00 H new ATOM 0 HB3 ALA C 335 12.442 -10.670 -12.603 1.00 0.00 H new ATOM 124 N VAL C 336 11.443 -12.552 -10.841 1.00 0.00 N ATOM 125 CA VAL C 336 10.349 -13.484 -10.616 1.00 0.00 C ATOM 126 C VAL C 336 10.396 -14.017 -9.192 1.00 0.00 C ATOM 127 O VAL C 336 9.369 -14.116 -8.523 1.00 0.00 O ATOM 128 CB VAL C 336 10.439 -14.649 -11.614 1.00 0.00 C ATOM 129 CG1 VAL C 336 9.341 -15.670 -11.299 1.00 0.00 C ATOM 130 CG2 VAL C 336 10.262 -14.123 -13.053 1.00 0.00 C ATOM 0 H VAL C 336 12.086 -12.826 -11.583 1.00 0.00 H new ATOM 0 HA VAL C 336 9.405 -12.959 -10.764 1.00 0.00 H new ATOM 0 HB VAL C 336 11.416 -15.124 -11.528 1.00 0.00 H new ATOM 0 HG11 VAL C 336 9.401 -16.498 -12.005 1.00 0.00 H new ATOM 0 HG12 VAL C 336 9.475 -16.047 -10.285 1.00 0.00 H new ATOM 0 HG13 VAL C 336 8.365 -15.192 -11.383 1.00 0.00 H new ATOM 0 HG21 VAL C 336 10.327 -14.954 -13.755 1.00 0.00 H new ATOM 0 HG22 VAL C 336 9.288 -13.643 -13.148 1.00 0.00 H new ATOM 0 HG23 VAL C 336 11.046 -13.399 -13.275 1.00 0.00 H new ATOM 140 N ASN C 337 11.593 -14.356 -8.735 1.00 0.00 N ATOM 141 CA ASN C 337 11.758 -14.874 -7.385 1.00 0.00 C ATOM 142 C ASN C 337 11.294 -13.844 -6.362 1.00 0.00 C ATOM 143 O ASN C 337 10.662 -14.191 -5.364 1.00 0.00 O ATOM 144 CB ASN C 337 13.224 -15.219 -7.131 1.00 0.00 C ATOM 145 CG ASN C 337 13.400 -15.733 -5.705 1.00 0.00 C ATOM 146 OD1 ASN C 337 12.463 -16.276 -5.119 1.00 0.00 O ATOM 147 ND2 ASN C 337 14.553 -15.592 -5.110 1.00 0.00 N ATOM 0 H ASN C 337 12.456 -14.283 -9.273 1.00 0.00 H new ATOM 0 HA ASN C 337 11.152 -15.775 -7.284 1.00 0.00 H new ATOM 0 HB2 ASN C 337 13.557 -15.975 -7.842 1.00 0.00 H new ATOM 0 HB3 ASN C 337 13.846 -14.338 -7.288 1.00 0.00 H new ATOM 0 HD21 ASN C 337 14.680 -15.932 -4.157 1.00 0.00 H new ATOM 0 HD22 ASN C 337 15.327 -15.142 -5.598 1.00 0.00 H new ATOM 154 N ASN C 338 11.614 -12.572 -6.611 1.00 0.00 N ATOM 155 CA ASN C 338 11.225 -11.494 -5.696 1.00 0.00 C ATOM 156 C ASN C 338 10.123 -10.640 -6.314 1.00 0.00 C ATOM 157 O ASN C 338 10.304 -9.445 -6.543 1.00 0.00 O ATOM 158 CB ASN C 338 12.439 -10.617 -5.385 1.00 0.00 C ATOM 159 CG ASN C 338 12.081 -9.601 -4.306 1.00 0.00 C ATOM 160 OD1 ASN C 338 10.902 -9.345 -4.060 1.00 0.00 O ATOM 161 ND2 ASN C 338 13.032 -9.008 -3.640 1.00 0.00 N ATOM 0 H ASN C 338 12.137 -12.264 -7.431 1.00 0.00 H new ATOM 0 HA ASN C 338 10.850 -11.939 -4.774 1.00 0.00 H new ATOM 0 HB2 ASN C 338 13.271 -11.237 -5.051 1.00 0.00 H new ATOM 0 HB3 ASN C 338 12.767 -10.102 -6.288 1.00 0.00 H new ATOM 0 HD21 ASN C 338 12.800 -8.331 -2.914 1.00 0.00 H new ATOM 0 HD22 ASN C 338 14.008 -9.222 -3.845 1.00 0.00 H new ATOM 168 N ASP C 339 8.979 -11.262 -6.578 1.00 0.00 N ATOM 169 CA ASP C 339 7.850 -10.549 -7.169 1.00 0.00 C ATOM 170 C ASP C 339 7.087 -9.788 -6.094 1.00 0.00 C ATOM 171 O ASP C 339 6.005 -10.205 -5.682 1.00 0.00 O ATOM 172 CB ASP C 339 6.911 -11.541 -7.857 1.00 0.00 C ATOM 173 CG ASP C 339 6.360 -12.533 -6.836 1.00 0.00 C ATOM 174 OD1 ASP C 339 6.790 -12.479 -5.695 1.00 0.00 O ATOM 175 OD2 ASP C 339 5.517 -13.331 -7.209 1.00 0.00 O ATOM 0 H ASP C 339 8.808 -12.251 -6.394 1.00 0.00 H new ATOM 0 HA ASP C 339 8.231 -9.840 -7.905 1.00 0.00 H new ATOM 0 HB2 ASP C 339 6.091 -11.006 -8.336 1.00 0.00 H new ATOM 0 HB3 ASP C 339 7.445 -12.075 -8.643 1.00 0.00 H new ATOM 180 N ASP C 340 7.656 -8.671 -5.649 1.00 0.00 N ATOM 181 CA ASP C 340 7.026 -7.855 -4.617 1.00 0.00 C ATOM 182 C ASP C 340 7.659 -6.471 -4.579 1.00 0.00 C ATOM 183 O ASP C 340 8.879 -6.337 -4.489 1.00 0.00 O ATOM 184 CB ASP C 340 7.179 -8.526 -3.247 1.00 0.00 C ATOM 185 CG ASP C 340 6.254 -9.733 -3.150 1.00 0.00 C ATOM 186 OD1 ASP C 340 5.092 -9.592 -3.498 1.00 0.00 O ATOM 187 OD2 ASP C 340 6.720 -10.780 -2.733 1.00 0.00 O ATOM 0 H ASP C 340 8.549 -8.312 -5.986 1.00 0.00 H new ATOM 0 HA ASP C 340 5.966 -7.757 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP C 340 8.213 -8.837 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP C 340 6.945 -7.814 -2.456 1.00 0.00 H new ATOM 192 N CYS C 341 6.820 -5.440 -4.645 1.00 0.00 N ATOM 193 CA CYS C 341 7.302 -4.059 -4.615 1.00 0.00 C ATOM 194 C CYS C 341 7.083 -3.435 -3.241 1.00 0.00 C ATOM 195 O CYS C 341 6.003 -3.541 -2.666 1.00 0.00 O ATOM 196 CB CYS C 341 6.573 -3.223 -5.673 1.00 0.00 C ATOM 197 SG CYS C 341 7.643 -1.860 -6.196 1.00 0.00 S ATOM 0 H CYS C 341 5.807 -5.533 -4.719 1.00 0.00 H new ATOM 0 HA CYS C 341 8.371 -4.071 -4.829 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.312 -3.845 -6.529 1.00 0.00 H new ATOM 0 HB3 CYS C 341 5.640 -2.833 -5.266 1.00 0.00 H new ATOM 202 N ALA C 342 8.115 -2.779 -2.725 1.00 0.00 N ATOM 203 CA ALA C 342 8.018 -2.134 -1.422 1.00 0.00 C ATOM 204 C ALA C 342 7.558 -0.690 -1.587 1.00 0.00 C ATOM 205 O ALA C 342 7.117 -0.056 -0.629 1.00 0.00 O ATOM 206 CB ALA C 342 9.380 -2.157 -0.732 1.00 0.00 C ATOM 0 H ALA C 342 9.021 -2.680 -3.184 1.00 0.00 H new ATOM 0 HA ALA C 342 7.293 -2.675 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA C 342 9.303 -1.674 0.242 1.00 0.00 H new ATOM 0 HB2 ALA C 342 9.704 -3.189 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.107 -1.624 -1.345 1.00 0.00 H new ATOM 212 N ILE C 343 7.670 -0.171 -2.811 1.00 0.00 N ATOM 213 CA ILE C 343 7.269 1.211 -3.087 1.00 0.00 C ATOM 214 C ILE C 343 5.812 1.289 -3.540 1.00 0.00 C ATOM 215 O ILE C 343 4.941 1.720 -2.785 1.00 0.00 O ATOM 216 CB ILE C 343 8.166 1.807 -4.175 1.00 0.00 C ATOM 217 CG1 ILE C 343 9.605 1.344 -3.958 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.108 3.338 -4.122 1.00 0.00 C ATOM 219 CD1 ILE C 343 10.054 1.669 -2.535 1.00 0.00 C ATOM 0 H ILE C 343 8.030 -0.679 -3.619 1.00 0.00 H new ATOM 0 HA ILE C 343 7.375 1.779 -2.163 1.00 0.00 H new ATOM 0 HB ILE C 343 7.816 1.470 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE C 343 9.680 0.271 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.264 1.832 -4.676 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.749 3.754 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE C 343 7.082 3.669 -4.282 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.452 3.682 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE C 343 11.081 1.334 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE C 343 9.997 2.745 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE C 343 9.404 1.160 -1.823 1.00 0.00 H new ATOM 231 N CYS C 344 5.557 0.881 -4.782 1.00 0.00 N ATOM 232 CA CYS C 344 4.212 0.922 -5.332 1.00 0.00 C ATOM 233 C CYS C 344 3.339 -0.158 -4.717 1.00 0.00 C ATOM 234 O CYS C 344 2.124 0.001 -4.598 1.00 0.00 O ATOM 235 CB CYS C 344 4.265 0.734 -6.848 1.00 0.00 C ATOM 236 SG CYS C 344 4.971 -0.890 -7.236 1.00 0.00 S ATOM 0 H CYS C 344 6.265 0.520 -5.421 1.00 0.00 H new ATOM 0 HA CYS C 344 3.778 1.894 -5.097 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.263 0.816 -7.270 1.00 0.00 H new ATOM 0 HB3 CYS C 344 4.867 1.521 -7.301 1.00 0.00 H new ATOM 241 N TRP C 345 3.956 -1.268 -4.327 1.00 0.00 N ATOM 242 CA TRP C 345 3.215 -2.370 -3.733 1.00 0.00 C ATOM 243 C TRP C 345 2.094 -2.819 -4.663 1.00 0.00 C ATOM 244 O TRP C 345 0.916 -2.723 -4.324 1.00 0.00 O ATOM 245 CB TRP C 345 2.622 -1.944 -2.387 1.00 0.00 C ATOM 246 CG TRP C 345 2.239 -3.157 -1.599 1.00 0.00 C ATOM 247 CD1 TRP C 345 1.027 -3.756 -1.627 1.00 0.00 C ATOM 248 CD2 TRP C 345 3.054 -3.926 -0.669 1.00 0.00 C ATOM 249 NE1 TRP C 345 1.047 -4.846 -0.778 1.00 0.00 N ATOM 250 CE2 TRP C 345 2.274 -4.991 -0.162 1.00 0.00 C ATOM 251 CE3 TRP C 345 4.381 -3.804 -0.221 1.00 0.00 C ATOM 252 CZ2 TRP C 345 2.793 -5.903 0.757 1.00 0.00 C ATOM 253 CZ3 TRP C 345 4.907 -4.720 0.704 1.00 0.00 C ATOM 254 CH2 TRP C 345 4.114 -5.768 1.193 1.00 0.00 C ATOM 0 H TRP C 345 4.960 -1.426 -4.411 1.00 0.00 H new ATOM 0 HA TRP C 345 3.903 -3.201 -3.577 1.00 0.00 H new ATOM 0 HB2 TRP C 345 3.347 -1.351 -1.830 1.00 0.00 H new ATOM 0 HB3 TRP C 345 1.749 -1.312 -2.547 1.00 0.00 H new ATOM 0 HD1 TRP C 345 0.181 -3.435 -2.217 1.00 0.00 H new ATOM 0 HE1 TRP C 345 0.253 -5.467 -0.625 1.00 0.00 H new ATOM 0 HE3 TRP C 345 5.000 -3.000 -0.591 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 2.178 -6.709 1.129 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 5.928 -4.617 1.041 1.00 0.00 H new ATOM 0 HH2 TRP C 345 4.523 -6.469 1.905 1.00 0.00 H new ATOM 265 N ASP C 346 2.467 -3.316 -5.842 1.00 0.00 N ATOM 266 CA ASP C 346 1.482 -3.780 -6.822 1.00 0.00 C ATOM 267 C ASP C 346 1.932 -5.092 -7.452 1.00 0.00 C ATOM 268 O ASP C 346 1.109 -5.953 -7.761 1.00 0.00 O ATOM 269 CB ASP C 346 1.295 -2.726 -7.910 1.00 0.00 C ATOM 270 CG ASP C 346 0.531 -1.531 -7.350 1.00 0.00 C ATOM 271 OD1 ASP C 346 -0.043 -1.666 -6.281 1.00 0.00 O ATOM 272 OD2 ASP C 346 0.526 -0.499 -7.998 1.00 0.00 O ATOM 0 H ASP C 346 3.438 -3.408 -6.142 1.00 0.00 H new ATOM 0 HA ASP C 346 0.534 -3.944 -6.309 1.00 0.00 H new ATOM 0 HB2 ASP C 346 2.266 -2.404 -8.287 1.00 0.00 H new ATOM 0 HB3 ASP C 346 0.752 -3.153 -8.753 1.00 0.00 H new ATOM 277 N SER C 347 3.241 -5.239 -7.640 1.00 0.00 N ATOM 278 CA SER C 347 3.792 -6.452 -8.238 1.00 0.00 C ATOM 279 C SER C 347 3.648 -6.410 -9.757 1.00 0.00 C ATOM 280 O SER C 347 2.574 -6.111 -10.277 1.00 0.00 O ATOM 281 CB SER C 347 3.070 -7.691 -7.690 1.00 0.00 C ATOM 282 OG SER C 347 1.975 -8.009 -8.539 1.00 0.00 O ATOM 0 H SER C 347 3.937 -4.537 -7.388 1.00 0.00 H new ATOM 0 HA SER C 347 4.850 -6.509 -7.981 1.00 0.00 H new ATOM 0 HB2 SER C 347 3.759 -8.534 -7.635 1.00 0.00 H new ATOM 0 HB3 SER C 347 2.717 -7.502 -6.676 1.00 0.00 H new ATOM 0 HG SER C 347 1.211 -7.437 -8.316 1.00 0.00 H new ATOM 288 N MET C 348 4.733 -6.714 -10.464 1.00 0.00 N ATOM 289 CA MET C 348 4.705 -6.712 -11.925 1.00 0.00 C ATOM 290 C MET C 348 5.838 -7.579 -12.470 1.00 0.00 C ATOM 291 O MET C 348 6.046 -8.701 -12.005 1.00 0.00 O ATOM 292 CB MET C 348 4.837 -5.279 -12.457 1.00 0.00 C ATOM 293 CG MET C 348 4.274 -5.192 -13.876 1.00 0.00 C ATOM 294 SD MET C 348 4.674 -3.577 -14.585 1.00 0.00 S ATOM 295 CE MET C 348 3.629 -3.723 -16.053 1.00 0.00 C ATOM 0 H MET C 348 5.634 -6.962 -10.055 1.00 0.00 H new ATOM 0 HA MET C 348 3.752 -7.123 -12.258 1.00 0.00 H new ATOM 0 HB2 MET C 348 4.304 -4.589 -11.803 1.00 0.00 H new ATOM 0 HB3 MET C 348 5.884 -4.976 -12.454 1.00 0.00 H new ATOM 0 HG2 MET C 348 4.693 -5.986 -14.494 1.00 0.00 H new ATOM 0 HG3 MET C 348 3.194 -5.337 -13.860 1.00 0.00 H new ATOM 0 HE1 MET C 348 3.718 -2.818 -16.655 1.00 0.00 H new ATOM 0 HE2 MET C 348 3.947 -4.583 -16.642 1.00 0.00 H new ATOM 0 HE3 MET C 348 2.591 -3.855 -15.749 1.00 0.00 H new ATOM 305 N GLN C 349 6.566 -7.058 -13.461 1.00 0.00 N ATOM 306 CA GLN C 349 7.671 -7.785 -14.065 1.00 0.00 C ATOM 307 C GLN C 349 8.948 -6.948 -14.026 1.00 0.00 C ATOM 308 O GLN C 349 10.052 -7.492 -13.992 1.00 0.00 O ATOM 309 CB GLN C 349 7.325 -8.099 -15.517 1.00 0.00 C ATOM 310 CG GLN C 349 8.276 -9.161 -16.050 1.00 0.00 C ATOM 311 CD GLN C 349 7.887 -10.534 -15.503 1.00 0.00 C ATOM 312 OE1 GLN C 349 6.766 -10.993 -15.727 1.00 0.00 O ATOM 313 NE2 GLN C 349 8.744 -11.215 -14.797 1.00 0.00 N ATOM 0 H GLN C 349 6.405 -6.133 -13.859 1.00 0.00 H new ATOM 0 HA GLN C 349 7.836 -8.706 -13.506 1.00 0.00 H new ATOM 0 HB2 GLN C 349 6.295 -8.450 -15.588 1.00 0.00 H new ATOM 0 HB3 GLN C 349 7.397 -7.195 -16.122 1.00 0.00 H new ATOM 0 HG2 GLN C 349 8.247 -9.173 -17.140 1.00 0.00 H new ATOM 0 HG3 GLN C 349 9.300 -8.922 -15.761 1.00 0.00 H new ATOM 0 HE21 GLN C 349 9.672 -10.833 -14.613 1.00 0.00 H new ATOM 0 HE22 GLN C 349 8.488 -12.131 -14.428 1.00 0.00 H new ATOM 322 N ALA C 350 8.797 -5.624 -14.030 1.00 0.00 N ATOM 323 CA ALA C 350 9.956 -4.741 -13.998 1.00 0.00 C ATOM 324 C ALA C 350 10.663 -4.841 -12.649 1.00 0.00 C ATOM 325 O ALA C 350 10.038 -4.702 -11.599 1.00 0.00 O ATOM 326 CB ALA C 350 9.516 -3.294 -14.245 1.00 0.00 C ATOM 0 H ALA C 350 7.896 -5.147 -14.055 1.00 0.00 H new ATOM 0 HA ALA C 350 10.649 -5.046 -14.782 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.387 -2.639 -14.220 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.036 -3.221 -15.221 1.00 0.00 H new ATOM 0 HB3 ALA C 350 8.812 -2.991 -13.470 1.00 0.00 H new ATOM 332 N ALA C 351 11.969 -5.083 -12.690 1.00 0.00 N ATOM 333 CA ALA C 351 12.760 -5.204 -11.465 1.00 0.00 C ATOM 334 C ALA C 351 14.129 -4.578 -11.651 1.00 0.00 C ATOM 335 O ALA C 351 14.751 -4.722 -12.700 1.00 0.00 O ATOM 336 CB ALA C 351 12.919 -6.673 -11.100 1.00 0.00 C ATOM 0 H ALA C 351 12.502 -5.199 -13.552 1.00 0.00 H new ATOM 0 HA ALA C 351 12.240 -4.680 -10.663 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.509 -6.759 -10.187 1.00 0.00 H new ATOM 0 HB2 ALA C 351 11.936 -7.117 -10.941 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.426 -7.196 -11.910 1.00 0.00 H new ATOM 342 N ARG C 352 14.598 -3.880 -10.625 1.00 0.00 N ATOM 343 CA ARG C 352 15.906 -3.242 -10.691 1.00 0.00 C ATOM 344 C ARG C 352 16.544 -3.230 -9.315 1.00 0.00 C ATOM 345 O ARG C 352 15.848 -3.163 -8.309 1.00 0.00 O ATOM 346 CB ARG C 352 15.771 -1.813 -11.220 1.00 0.00 C ATOM 347 CG ARG C 352 17.152 -1.286 -11.690 1.00 0.00 C ATOM 348 CD ARG C 352 16.984 -0.435 -12.950 1.00 0.00 C ATOM 349 NE ARG C 352 18.292 -0.036 -13.452 1.00 0.00 N ATOM 350 CZ ARG C 352 18.878 1.079 -13.036 1.00 0.00 C ATOM 351 NH1 ARG C 352 18.290 1.835 -12.151 1.00 0.00 N ATOM 352 NH2 ARG C 352 20.047 1.413 -13.506 1.00 0.00 N ATOM 0 H ARG C 352 14.099 -3.742 -9.746 1.00 0.00 H new ATOM 0 HA ARG C 352 16.541 -3.808 -11.372 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.063 -1.789 -12.048 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.372 -1.164 -10.440 1.00 0.00 H new ATOM 0 HG2 ARG C 352 17.613 -0.694 -10.900 1.00 0.00 H new ATOM 0 HG3 ARG C 352 17.820 -2.123 -11.892 1.00 0.00 H new ATOM 0 HD2 ARG C 352 16.448 -1.000 -13.713 1.00 0.00 H new ATOM 0 HD3 ARG C 352 16.385 0.448 -12.727 1.00 0.00 H new ATOM 0 HE ARG C 352 18.766 -0.625 -14.136 1.00 0.00 H new ATOM 0 HH11 ARG C 352 17.379 1.569 -11.778 1.00 0.00 H new ATOM 0 HH12 ARG C 352 18.741 2.692 -11.832 1.00 0.00 H new ATOM 0 HH21 ARG C 352 20.510 0.817 -14.193 1.00 0.00 H new ATOM 0 HH22 ARG C 352 20.499 2.270 -13.187 1.00 0.00 H new ATOM 366 N LYS C 353 17.875 -3.301 -9.276 1.00 0.00 N ATOM 367 CA LYS C 353 18.600 -3.317 -8.010 1.00 0.00 C ATOM 368 C LYS C 353 19.335 -2.009 -7.767 1.00 0.00 C ATOM 369 O LYS C 353 20.054 -1.514 -8.635 1.00 0.00 O ATOM 370 CB LYS C 353 19.588 -4.478 -8.000 1.00 0.00 C ATOM 371 CG LYS C 353 20.752 -4.184 -8.943 1.00 0.00 C ATOM 372 CD LYS C 353 21.621 -5.424 -9.097 1.00 0.00 C ATOM 373 CE LYS C 353 22.774 -5.110 -10.048 1.00 0.00 C ATOM 374 NZ LYS C 353 23.615 -6.324 -10.222 1.00 0.00 N ATOM 0 H LYS C 353 18.469 -3.348 -10.104 1.00 0.00 H new ATOM 0 HA LYS C 353 17.873 -3.443 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.961 -4.640 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS C 353 19.086 -5.396 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS C 353 20.373 -3.872 -9.916 1.00 0.00 H new ATOM 0 HG3 LYS C 353 21.347 -3.358 -8.553 1.00 0.00 H new ATOM 0 HD2 LYS C 353 22.008 -5.735 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS C 353 21.029 -6.253 -9.485 1.00 0.00 H new ATOM 0 HE2 LYS C 353 22.386 -4.782 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS C 353 23.375 -4.292 -9.651 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 24.401 -6.112 -10.869 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 23.996 -6.618 -9.300 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 23.037 -7.093 -10.619 1.00 0.00 H new ATOM 388 N LEU C 354 19.154 -1.442 -6.585 1.00 0.00 N ATOM 389 CA LEU C 354 19.819 -0.189 -6.271 1.00 0.00 C ATOM 390 C LEU C 354 21.308 -0.431 -6.001 1.00 0.00 C ATOM 391 O LEU C 354 21.710 -1.549 -5.676 1.00 0.00 O ATOM 392 CB LEU C 354 19.180 0.451 -5.023 1.00 0.00 C ATOM 393 CG LEU C 354 18.034 1.406 -5.414 1.00 0.00 C ATOM 394 CD1 LEU C 354 16.987 1.417 -4.301 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.564 2.833 -5.633 1.00 0.00 C ATOM 0 H LEU C 354 18.566 -1.819 -5.842 1.00 0.00 H new ATOM 0 HA LEU C 354 19.709 0.481 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.798 -0.330 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.938 0.998 -4.462 1.00 0.00 H new ATOM 0 HG LEU C 354 17.588 1.056 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.174 2.091 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.593 0.410 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.446 1.758 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.738 3.490 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU C 354 19.025 3.195 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU C 354 19.305 2.827 -6.433 1.00 0.00 H new ATOM 407 N PRO C 355 22.118 0.600 -6.094 1.00 0.00 N ATOM 408 CA PRO C 355 23.583 0.496 -5.815 1.00 0.00 C ATOM 409 C PRO C 355 23.855 0.042 -4.371 1.00 0.00 C ATOM 410 O PRO C 355 24.899 -0.543 -4.081 1.00 0.00 O ATOM 411 CB PRO C 355 24.108 1.933 -6.035 1.00 0.00 C ATOM 412 CG PRO C 355 23.065 2.626 -6.852 1.00 0.00 C ATOM 413 CD PRO C 355 21.740 1.975 -6.481 1.00 0.00 C ATOM 0 HA PRO C 355 24.069 -0.242 -6.454 1.00 0.00 H new ATOM 0 HB2 PRO C 355 24.263 2.443 -5.084 1.00 0.00 H new ATOM 0 HB3 PRO C 355 25.068 1.924 -6.552 1.00 0.00 H new ATOM 0 HG2 PRO C 355 23.048 3.695 -6.638 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.268 2.518 -7.917 1.00 0.00 H new ATOM 0 HD2 PRO C 355 21.252 2.501 -5.661 1.00 0.00 H new ATOM 0 HD3 PRO C 355 21.044 1.977 -7.320 1.00 0.00 H new ATOM 421 N CYS C 356 22.912 0.336 -3.475 1.00 0.00 N ATOM 422 CA CYS C 356 23.065 -0.023 -2.066 1.00 0.00 C ATOM 423 C CYS C 356 22.827 -1.514 -1.849 1.00 0.00 C ATOM 424 O CYS C 356 23.596 -2.181 -1.162 1.00 0.00 O ATOM 425 CB CYS C 356 22.098 0.816 -1.200 1.00 0.00 C ATOM 426 SG CYS C 356 20.516 -0.046 -0.968 1.00 0.00 S ATOM 0 H CYS C 356 22.041 0.818 -3.698 1.00 0.00 H new ATOM 0 HA CYS C 356 24.089 0.196 -1.764 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.553 1.015 -0.230 1.00 0.00 H new ATOM 0 HB3 CYS C 356 21.924 1.782 -1.675 1.00 0.00 H new ATOM 431 N GLY C 357 21.748 -2.026 -2.440 1.00 0.00 N ATOM 432 CA GLY C 357 21.399 -3.443 -2.307 1.00 0.00 C ATOM 433 C GLY C 357 19.903 -3.604 -2.053 1.00 0.00 C ATOM 434 O GLY C 357 19.498 -4.205 -1.058 1.00 0.00 O ATOM 0 H GLY C 357 21.102 -1.484 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.680 -3.979 -3.214 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.963 -3.887 -1.487 1.00 0.00 H new ATOM 438 N HIS C 358 19.083 -3.095 -2.970 1.00 0.00 N ATOM 439 CA HIS C 358 17.629 -3.205 -2.839 1.00 0.00 C ATOM 440 C HIS C 358 17.007 -3.426 -4.200 1.00 0.00 C ATOM 441 O HIS C 358 17.479 -2.877 -5.182 1.00 0.00 O ATOM 442 CB HIS C 358 17.067 -1.922 -2.205 1.00 0.00 C ATOM 443 CG HIS C 358 17.102 -2.042 -0.711 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.103 -1.473 0.065 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.267 -2.686 0.160 1.00 0.00 C ATOM 446 CE1 HIS C 358 17.843 -1.795 1.345 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.734 -2.532 1.457 1.00 0.00 N ATOM 0 H HIS C 358 19.397 -2.605 -3.808 1.00 0.00 H new ATOM 0 HA HIS C 358 17.389 -4.053 -2.198 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.653 -1.060 -2.524 1.00 0.00 H new ATOM 0 HB3 HIS C 358 16.044 -1.755 -2.543 1.00 0.00 H new ATOM 0 HD1 HIS C 358 18.888 -0.916 -0.272 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.378 -3.232 -0.120 1.00 0.00 H new ATOM 0 HE1 HIS C 358 18.457 -1.494 2.181 1.00 0.00 H new ATOM 455 N LEU C 359 15.947 -4.238 -4.254 1.00 0.00 N ATOM 456 CA LEU C 359 15.286 -4.540 -5.528 1.00 0.00 C ATOM 457 C LEU C 359 14.020 -3.718 -5.729 1.00 0.00 C ATOM 458 O LEU C 359 13.019 -3.955 -5.054 1.00 0.00 O ATOM 459 CB LEU C 359 14.889 -6.022 -5.547 1.00 0.00 C ATOM 460 CG LEU C 359 16.080 -6.890 -5.938 1.00 0.00 C ATOM 461 CD1 LEU C 359 17.163 -6.788 -4.866 1.00 0.00 C ATOM 462 CD2 LEU C 359 15.625 -8.346 -6.071 1.00 0.00 C ATOM 0 H LEU C 359 15.532 -4.693 -3.441 1.00 0.00 H new ATOM 0 HA LEU C 359 15.989 -4.298 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.522 -6.319 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.072 -6.177 -6.252 1.00 0.00 H new ATOM 0 HG LEU C 359 16.483 -6.546 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU C 359 18.013 -7.409 -5.148 1.00 0.00 H new ATOM 0 HD12 LEU C 359 17.486 -5.751 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU C 359 16.764 -7.131 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU C 359 16.475 -8.969 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU C 359 15.221 -8.689 -5.119 1.00 0.00 H new ATOM 0 HD23 LEU C 359 14.855 -8.418 -6.839 1.00 0.00 H new ATOM 474 N PHE C 360 14.075 -2.772 -6.671 1.00 0.00 N ATOM 475 CA PHE C 360 12.947 -1.888 -6.996 1.00 0.00 C ATOM 476 C PHE C 360 12.634 -1.952 -8.470 1.00 0.00 C ATOM 477 O PHE C 360 13.507 -2.205 -9.307 1.00 0.00 O ATOM 478 CB PHE C 360 13.322 -0.450 -6.593 1.00 0.00 C ATOM 479 CG PHE C 360 13.258 -0.243 -5.080 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.674 -1.181 -4.199 1.00 0.00 C ATOM 481 CD2 PHE C 360 13.887 0.879 -4.544 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.717 -0.981 -2.825 1.00 0.00 C ATOM 483 CE2 PHE C 360 13.917 1.080 -3.162 1.00 0.00 C ATOM 484 CZ PHE C 360 13.336 0.148 -2.304 1.00 0.00 C ATOM 0 H PHE C 360 14.907 -2.595 -7.234 1.00 0.00 H new ATOM 0 HA PHE C 360 12.060 -2.208 -6.450 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.328 -0.225 -6.947 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.647 0.251 -7.084 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.190 -2.061 -4.597 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.354 1.598 -5.201 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.268 -1.705 -2.161 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.392 1.961 -2.757 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.367 0.303 -1.236 1.00 0.00 H new ATOM 494 N HIS C 361 11.367 -1.742 -8.772 1.00 0.00 N ATOM 495 CA HIS C 361 10.902 -1.795 -10.135 1.00 0.00 C ATOM 496 C HIS C 361 11.414 -0.596 -10.906 1.00 0.00 C ATOM 497 O HIS C 361 11.830 0.398 -10.316 1.00 0.00 O ATOM 498 CB HIS C 361 9.372 -1.834 -10.175 1.00 0.00 C ATOM 499 CG HIS C 361 8.879 -3.096 -9.526 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.530 -3.334 -9.315 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.533 -4.209 -9.060 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.423 -4.553 -8.754 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.612 -5.126 -8.576 1.00 0.00 N ATOM 0 H HIS C 361 10.643 -1.533 -8.085 1.00 0.00 H new ATOM 0 HA HIS C 361 11.285 -2.704 -10.600 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.963 -0.965 -9.659 1.00 0.00 H new ATOM 0 HB3 HIS C 361 9.024 -1.785 -11.207 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.604 -4.350 -9.069 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.484 -5.012 -8.481 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.804 -6.042 -8.171 1.00 0.00 H new ATOM 511 N ASN C 362 11.393 -0.694 -12.226 1.00 0.00 N ATOM 512 CA ASN C 362 11.872 0.396 -13.062 1.00 0.00 C ATOM 513 C ASN C 362 11.055 1.661 -12.810 1.00 0.00 C ATOM 514 O ASN C 362 11.610 2.750 -12.665 1.00 0.00 O ATOM 515 CB ASN C 362 11.760 0.000 -14.536 1.00 0.00 C ATOM 516 CG ASN C 362 12.131 1.182 -15.427 1.00 0.00 C ATOM 517 OD1 ASN C 362 11.251 1.849 -15.972 1.00 0.00 O ATOM 518 ND2 ASN C 362 13.387 1.482 -15.607 1.00 0.00 N ATOM 0 H ASN C 362 11.053 -1.508 -12.738 1.00 0.00 H new ATOM 0 HA ASN C 362 12.914 0.596 -12.814 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.418 -0.843 -14.745 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.744 -0.327 -14.757 1.00 0.00 H new ATOM 0 HD21 ASN C 362 13.643 2.271 -16.201 1.00 0.00 H new ATOM 0 HD22 ASN C 362 14.114 0.928 -15.154 1.00 0.00 H new ATOM 525 N SER C 363 9.737 1.509 -12.748 1.00 0.00 N ATOM 526 CA SER C 363 8.860 2.646 -12.502 1.00 0.00 C ATOM 527 C SER C 363 9.003 3.136 -11.065 1.00 0.00 C ATOM 528 O SER C 363 8.985 4.339 -10.803 1.00 0.00 O ATOM 529 CB SER C 363 7.409 2.247 -12.769 1.00 0.00 C ATOM 530 OG SER C 363 7.212 2.107 -14.169 1.00 0.00 O ATOM 0 H SER C 363 9.256 0.617 -12.864 1.00 0.00 H new ATOM 0 HA SER C 363 9.145 3.455 -13.175 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.178 1.310 -12.262 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.732 3.002 -12.368 1.00 0.00 H new ATOM 0 HG SER C 363 6.283 1.849 -14.344 1.00 0.00 H new ATOM 536 N CYS C 364 9.141 2.192 -10.141 1.00 0.00 N ATOM 537 CA CYS C 364 9.282 2.534 -8.730 1.00 0.00 C ATOM 538 C CYS C 364 10.630 3.181 -8.461 1.00 0.00 C ATOM 539 O CYS C 364 10.714 4.201 -7.778 1.00 0.00 O ATOM 540 CB CYS C 364 9.157 1.280 -7.866 1.00 0.00 C ATOM 541 SG CYS C 364 7.495 0.584 -8.048 1.00 0.00 S ATOM 0 H CYS C 364 9.158 1.192 -10.341 1.00 0.00 H new ATOM 0 HA CYS C 364 8.489 3.238 -8.478 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.905 0.545 -8.163 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.348 1.525 -6.821 1.00 0.00 H new ATOM 546 N LEU C 365 11.682 2.579 -8.993 1.00 0.00 N ATOM 547 CA LEU C 365 13.020 3.108 -8.784 1.00 0.00 C ATOM 548 C LEU C 365 13.175 4.476 -9.429 1.00 0.00 C ATOM 549 O LEU C 365 13.653 5.417 -8.800 1.00 0.00 O ATOM 550 CB LEU C 365 14.061 2.136 -9.358 1.00 0.00 C ATOM 551 CG LEU C 365 15.466 2.746 -9.263 1.00 0.00 C ATOM 552 CD1 LEU C 365 15.758 3.187 -7.829 1.00 0.00 C ATOM 553 CD2 LEU C 365 16.509 1.703 -9.685 1.00 0.00 C ATOM 0 H LEU C 365 11.637 1.736 -9.565 1.00 0.00 H new ATOM 0 HA LEU C 365 13.180 3.219 -7.711 1.00 0.00 H new ATOM 0 HB2 LEU C 365 14.028 1.193 -8.812 1.00 0.00 H new ATOM 0 HB3 LEU C 365 13.824 1.911 -10.398 1.00 0.00 H new ATOM 0 HG LEU C 365 15.515 3.612 -9.923 1.00 0.00 H new ATOM 0 HD11 LEU C 365 16.758 3.618 -7.777 1.00 0.00 H new ATOM 0 HD12 LEU C 365 15.025 3.933 -7.521 1.00 0.00 H new ATOM 0 HD13 LEU C 365 15.699 2.325 -7.164 1.00 0.00 H new ATOM 0 HD21 LEU C 365 17.506 2.138 -9.617 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.445 0.837 -9.026 1.00 0.00 H new ATOM 0 HD23 LEU C 365 16.318 1.392 -10.712 1.00 0.00 H new ATOM 565 N ARG C 366 12.770 4.582 -10.686 1.00 0.00 N ATOM 566 CA ARG C 366 12.884 5.839 -11.409 1.00 0.00 C ATOM 567 C ARG C 366 12.099 6.927 -10.694 1.00 0.00 C ATOM 568 O ARG C 366 12.589 8.042 -10.511 1.00 0.00 O ATOM 569 CB ARG C 366 12.364 5.661 -12.834 1.00 0.00 C ATOM 570 CG ARG C 366 12.787 6.861 -13.681 1.00 0.00 C ATOM 571 CD ARG C 366 12.327 6.650 -15.125 1.00 0.00 C ATOM 572 NE ARG C 366 12.894 7.677 -15.992 1.00 0.00 N ATOM 573 CZ ARG C 366 12.676 7.667 -17.302 1.00 0.00 C ATOM 574 NH1 ARG C 366 11.940 6.730 -17.835 1.00 0.00 N ATOM 575 NH2 ARG C 366 13.198 8.595 -18.057 1.00 0.00 N ATOM 0 H ARG C 366 12.362 3.817 -11.224 1.00 0.00 H new ATOM 0 HA ARG C 366 13.932 6.136 -11.448 1.00 0.00 H new ATOM 0 HB2 ARG C 366 12.758 4.741 -13.265 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.278 5.571 -12.828 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.352 7.776 -13.279 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.870 6.981 -13.646 1.00 0.00 H new ATOM 0 HD2 ARG C 366 12.633 5.663 -15.471 1.00 0.00 H new ATOM 0 HD3 ARG C 366 11.239 6.682 -15.176 1.00 0.00 H new ATOM 0 HE ARG C 366 13.468 8.416 -15.585 1.00 0.00 H new ATOM 0 HH11 ARG C 366 11.532 6.005 -17.245 1.00 0.00 H new ATOM 0 HH12 ARG C 366 11.773 6.723 -18.841 1.00 0.00 H new ATOM 0 HH21 ARG C 366 13.773 9.327 -17.641 1.00 0.00 H new ATOM 0 HH22 ARG C 366 13.031 8.588 -19.063 1.00 0.00 H new ATOM 589 N SER C 367 10.881 6.596 -10.297 1.00 0.00 N ATOM 590 CA SER C 367 10.033 7.558 -9.609 1.00 0.00 C ATOM 591 C SER C 367 10.732 8.069 -8.353 1.00 0.00 C ATOM 592 O SER C 367 10.727 9.272 -8.070 1.00 0.00 O ATOM 593 CB SER C 367 8.710 6.898 -9.219 1.00 0.00 C ATOM 594 OG SER C 367 7.889 7.848 -8.552 1.00 0.00 O ATOM 0 H SER C 367 10.460 5.678 -10.437 1.00 0.00 H new ATOM 0 HA SER C 367 9.839 8.396 -10.279 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.202 6.522 -10.107 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.895 6.041 -8.571 1.00 0.00 H new ATOM 0 HG SER C 367 7.040 7.428 -8.302 1.00 0.00 H new ATOM 600 N TRP C 368 11.340 7.153 -7.608 1.00 0.00 N ATOM 601 CA TRP C 368 12.040 7.527 -6.389 1.00 0.00 C ATOM 602 C TRP C 368 13.226 8.430 -6.715 1.00 0.00 C ATOM 603 O TRP C 368 13.480 9.411 -6.025 1.00 0.00 O ATOM 604 CB TRP C 368 12.531 6.275 -5.659 1.00 0.00 C ATOM 605 CG TRP C 368 12.911 6.630 -4.255 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.175 6.740 -3.790 1.00 0.00 C ATOM 607 CD2 TRP C 368 12.034 6.921 -3.129 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.130 7.078 -2.451 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.833 7.202 -1.998 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.636 6.967 -2.981 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.268 7.518 -0.762 1.00 0.00 C ATOM 612 CZ3 TRP C 368 10.063 7.284 -1.738 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.878 7.559 -0.630 1.00 0.00 C ATOM 0 H TRP C 368 11.362 6.157 -7.825 1.00 0.00 H new ATOM 0 HA TRP C 368 11.348 8.069 -5.745 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.750 5.515 -5.654 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.387 5.849 -6.182 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.073 6.589 -4.370 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.955 7.219 -1.868 1.00 0.00 H new ATOM 0 HE3 TRP C 368 9.999 6.757 -3.828 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.901 7.729 0.087 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 8.988 7.316 -1.635 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.432 7.802 0.323 1.00 0.00 H new ATOM 624 N LEU C 369 13.955 8.085 -7.774 1.00 0.00 N ATOM 625 CA LEU C 369 15.116 8.874 -8.178 1.00 0.00 C ATOM 626 C LEU C 369 14.694 10.277 -8.579 1.00 0.00 C ATOM 627 O LEU C 369 15.413 11.246 -8.338 1.00 0.00 O ATOM 628 CB LEU C 369 15.832 8.189 -9.345 1.00 0.00 C ATOM 629 CG LEU C 369 16.460 6.869 -8.871 1.00 0.00 C ATOM 630 CD1 LEU C 369 16.886 6.048 -10.089 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.691 7.132 -7.988 1.00 0.00 C ATOM 0 H LEU C 369 13.765 7.274 -8.362 1.00 0.00 H new ATOM 0 HA LEU C 369 15.799 8.946 -7.332 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.127 7.997 -10.153 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.604 8.846 -9.745 1.00 0.00 H new ATOM 0 HG LEU C 369 15.720 6.324 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.332 5.110 -9.758 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.014 5.836 -10.708 1.00 0.00 H new ATOM 0 HD13 LEU C 369 17.616 6.612 -10.671 1.00 0.00 H new ATOM 0 HD21 LEU C 369 18.117 6.182 -7.665 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.435 7.689 -8.558 1.00 0.00 H new ATOM 0 HD23 LEU C 369 17.395 7.712 -7.114 1.00 0.00 H new ATOM 643 N GLU C 370 13.520 10.382 -9.184 1.00 0.00 N ATOM 644 CA GLU C 370 13.008 11.675 -9.606 1.00 0.00 C ATOM 645 C GLU C 370 12.651 12.528 -8.393 1.00 0.00 C ATOM 646 O GLU C 370 12.828 13.747 -8.405 1.00 0.00 O ATOM 647 CB GLU C 370 11.769 11.486 -10.486 1.00 0.00 C ATOM 648 CG GLU C 370 11.274 12.848 -10.976 1.00 0.00 C ATOM 649 CD GLU C 370 10.096 12.662 -11.924 1.00 0.00 C ATOM 650 OE1 GLU C 370 9.565 11.564 -11.970 1.00 0.00 O ATOM 651 OE2 GLU C 370 9.742 13.619 -12.592 1.00 0.00 O ATOM 0 H GLU C 370 12.908 9.593 -9.392 1.00 0.00 H new ATOM 0 HA GLU C 370 13.783 12.184 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU C 370 12.009 10.848 -11.336 1.00 0.00 H new ATOM 0 HB3 GLU C 370 10.983 10.984 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU C 370 10.975 13.463 -10.127 1.00 0.00 H new ATOM 0 HG3 GLU C 370 12.081 13.377 -11.484 1.00 0.00 H new ATOM 658 N GLN C 371 12.143 11.883 -7.345 1.00 0.00 N ATOM 659 CA GLN C 371 11.761 12.599 -6.128 1.00 0.00 C ATOM 660 C GLN C 371 12.970 12.807 -5.223 1.00 0.00 C ATOM 661 O GLN C 371 13.277 13.933 -4.829 1.00 0.00 O ATOM 662 CB GLN C 371 10.686 11.813 -5.378 1.00 0.00 C ATOM 663 CG GLN C 371 10.261 12.593 -4.133 1.00 0.00 C ATOM 664 CD GLN C 371 9.053 11.925 -3.487 1.00 0.00 C ATOM 665 OE1 GLN C 371 8.348 11.155 -4.138 1.00 0.00 O ATOM 666 NE2 GLN C 371 8.771 12.174 -2.237 1.00 0.00 N ATOM 0 H GLN C 371 11.987 10.876 -7.312 1.00 0.00 H new ATOM 0 HA GLN C 371 11.366 13.575 -6.412 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.826 11.644 -6.026 1.00 0.00 H new ATOM 0 HB3 GLN C 371 11.069 10.833 -5.093 1.00 0.00 H new ATOM 0 HG2 GLN C 371 11.086 12.637 -3.422 1.00 0.00 H new ATOM 0 HG3 GLN C 371 10.018 13.621 -4.403 1.00 0.00 H new ATOM 0 HE21 GLN C 371 9.357 12.813 -1.699 1.00 0.00 H new ATOM 0 HE22 GLN C 371 7.965 11.730 -1.798 1.00 0.00 H new ATOM 675 N ASP C 372 13.649 11.713 -4.894 1.00 0.00 N ATOM 676 CA ASP C 372 14.827 11.776 -4.031 1.00 0.00 C ATOM 677 C ASP C 372 15.808 10.661 -4.380 1.00 0.00 C ATOM 678 O ASP C 372 15.409 9.535 -4.671 1.00 0.00 O ATOM 679 CB ASP C 372 14.406 11.638 -2.567 1.00 0.00 C ATOM 680 CG ASP C 372 15.557 12.037 -1.651 1.00 0.00 C ATOM 681 OD1 ASP C 372 16.418 12.776 -2.099 1.00 0.00 O ATOM 682 OD2 ASP C 372 15.561 11.599 -0.513 1.00 0.00 O ATOM 0 H ASP C 372 13.406 10.774 -5.210 1.00 0.00 H new ATOM 0 HA ASP C 372 15.315 12.738 -4.185 1.00 0.00 H new ATOM 0 HB2 ASP C 372 13.539 12.268 -2.369 1.00 0.00 H new ATOM 0 HB3 ASP C 372 14.107 10.610 -2.362 1.00 0.00 H new ATOM 687 N THR C 373 17.100 10.983 -4.340 1.00 0.00 N ATOM 688 CA THR C 373 18.143 10.003 -4.644 1.00 0.00 C ATOM 689 C THR C 373 18.703 9.413 -3.355 1.00 0.00 C ATOM 690 O THR C 373 19.910 9.451 -3.118 1.00 0.00 O ATOM 691 CB THR C 373 19.275 10.675 -5.429 1.00 0.00 C ATOM 692 OG1 THR C 373 19.588 11.926 -4.831 1.00 0.00 O ATOM 693 CG2 THR C 373 18.828 10.895 -6.875 1.00 0.00 C ATOM 0 H THR C 373 17.449 11.911 -4.101 1.00 0.00 H new ATOM 0 HA THR C 373 17.707 9.204 -5.244 1.00 0.00 H new ATOM 0 HB THR C 373 20.159 10.037 -5.415 1.00 0.00 H new ATOM 0 HG1 THR C 373 19.874 11.783 -3.904 1.00 0.00 H new ATOM 0 HG21 THR C 373 19.631 11.373 -7.435 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.588 9.935 -7.332 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.945 11.534 -6.890 1.00 0.00 H new ATOM 701 N SER C 374 17.818 8.860 -2.524 1.00 0.00 N ATOM 702 CA SER C 374 18.237 8.257 -1.260 1.00 0.00 C ATOM 703 C SER C 374 17.611 6.888 -1.097 1.00 0.00 C ATOM 704 O SER C 374 16.584 6.590 -1.705 1.00 0.00 O ATOM 705 CB SER C 374 17.839 9.149 -0.087 1.00 0.00 C ATOM 706 OG SER C 374 16.489 8.884 0.271 1.00 0.00 O ATOM 0 H SER C 374 16.815 8.818 -2.702 1.00 0.00 H new ATOM 0 HA SER C 374 19.322 8.152 -1.273 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.495 8.964 0.764 1.00 0.00 H new ATOM 0 HB3 SER C 374 17.956 10.198 -0.358 1.00 0.00 H new ATOM 0 HG SER C 374 15.939 9.673 0.082 1.00 0.00 H new ATOM 712 N CYS C 375 18.243 6.052 -0.277 1.00 0.00 N ATOM 713 CA CYS C 375 17.735 4.705 -0.056 1.00 0.00 C ATOM 714 C CYS C 375 16.605 4.702 0.994 1.00 0.00 C ATOM 715 O CYS C 375 16.845 5.014 2.155 1.00 0.00 O ATOM 716 CB CYS C 375 18.857 3.798 0.416 1.00 0.00 C ATOM 717 SG CYS C 375 18.173 2.150 0.703 1.00 0.00 S ATOM 0 H CYS C 375 19.094 6.280 0.237 1.00 0.00 H new ATOM 0 HA CYS C 375 17.335 4.339 -1.001 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.650 3.755 -0.331 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.302 4.189 1.331 1.00 0.00 H new ATOM 722 N PRO C 376 15.396 4.346 0.633 1.00 0.00 N ATOM 723 CA PRO C 376 14.248 4.313 1.593 1.00 0.00 C ATOM 724 C PRO C 376 14.549 3.490 2.849 1.00 0.00 C ATOM 725 O PRO C 376 13.952 3.708 3.903 1.00 0.00 O ATOM 726 CB PRO C 376 13.117 3.653 0.785 1.00 0.00 C ATOM 727 CG PRO C 376 13.460 3.897 -0.643 1.00 0.00 C ATOM 728 CD PRO C 376 14.980 3.942 -0.719 1.00 0.00 C ATOM 0 HA PRO C 376 14.007 5.311 1.959 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.053 2.586 0.997 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.149 4.087 1.037 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.063 3.105 -1.278 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.026 4.834 -0.992 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.394 2.971 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.320 4.655 -1.470 1.00 0.00 H new ATOM 736 N THR C 377 15.466 2.537 2.721 1.00 0.00 N ATOM 737 CA THR C 377 15.832 1.671 3.846 1.00 0.00 C ATOM 738 C THR C 377 17.178 2.066 4.431 1.00 0.00 C ATOM 739 O THR C 377 17.264 2.489 5.585 1.00 0.00 O ATOM 740 CB THR C 377 15.888 0.218 3.373 1.00 0.00 C ATOM 741 OG1 THR C 377 14.601 -0.178 2.917 1.00 0.00 O ATOM 742 CG2 THR C 377 16.320 -0.682 4.531 1.00 0.00 C ATOM 0 H THR C 377 15.970 2.342 1.856 1.00 0.00 H new ATOM 0 HA THR C 377 15.076 1.783 4.623 1.00 0.00 H new ATOM 0 HB THR C 377 16.607 0.127 2.559 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.634 -1.109 2.612 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.359 -1.717 4.192 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.306 -0.377 4.881 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.603 -0.594 5.347 1.00 0.00 H new ATOM 750 N CYS C 378 18.228 1.915 3.636 1.00 0.00 N ATOM 751 CA CYS C 378 19.567 2.249 4.096 1.00 0.00 C ATOM 752 C CYS C 378 19.684 3.735 4.402 1.00 0.00 C ATOM 753 O CYS C 378 20.563 4.140 5.163 1.00 0.00 O ATOM 754 CB CYS C 378 20.610 1.861 3.045 1.00 0.00 C ATOM 755 SG CYS C 378 20.520 0.085 2.726 1.00 0.00 S ATOM 0 H CYS C 378 18.179 1.567 2.679 1.00 0.00 H new ATOM 0 HA CYS C 378 19.752 1.686 5.011 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.435 2.415 2.123 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.608 2.128 3.393 1.00 0.00 H new ATOM 760 N ARG C 379 18.809 4.543 3.796 1.00 0.00 N ATOM 761 CA ARG C 379 18.831 5.991 4.008 1.00 0.00 C ATOM 762 C ARG C 379 20.153 6.581 3.546 1.00 0.00 C ATOM 763 O ARG C 379 20.551 7.658 3.987 1.00 0.00 O ATOM 764 CB ARG C 379 18.608 6.312 5.489 1.00 0.00 C ATOM 765 CG ARG C 379 17.197 5.884 5.892 1.00 0.00 C ATOM 766 CD ARG C 379 17.011 6.121 7.389 1.00 0.00 C ATOM 767 NE ARG C 379 17.877 5.225 8.149 1.00 0.00 N ATOM 768 CZ ARG C 379 17.925 5.279 9.477 1.00 0.00 C ATOM 769 NH1 ARG C 379 17.187 6.140 10.120 1.00 0.00 N ATOM 770 NH2 ARG C 379 18.710 4.471 10.135 1.00 0.00 N ATOM 0 H ARG C 379 18.081 4.220 3.159 1.00 0.00 H new ATOM 0 HA ARG C 379 18.027 6.435 3.421 1.00 0.00 H new ATOM 0 HB2 ARG C 379 19.346 5.793 6.100 1.00 0.00 H new ATOM 0 HB3 ARG C 379 18.741 7.379 5.666 1.00 0.00 H new ATOM 0 HG2 ARG C 379 16.457 6.450 5.327 1.00 0.00 H new ATOM 0 HG3 ARG C 379 17.042 4.831 5.656 1.00 0.00 H new ATOM 0 HD2 ARG C 379 17.243 7.158 7.633 1.00 0.00 H new ATOM 0 HD3 ARG C 379 15.970 5.954 7.665 1.00 0.00 H new ATOM 0 HE ARG C 379 18.455 4.546 7.653 1.00 0.00 H new ATOM 0 HH11 ARG C 379 16.574 6.771 9.605 1.00 0.00 H new ATOM 0 HH12 ARG C 379 17.223 6.182 11.138 1.00 0.00 H new ATOM 0 HH21 ARG C 379 19.287 3.798 9.631 1.00 0.00 H new ATOM 0 HH22 ARG C 379 18.747 4.513 11.153 1.00 0.00 H new ATOM 784 N MET C 380 20.832 5.870 2.646 1.00 0.00 N ATOM 785 CA MET C 380 22.113 6.333 2.116 1.00 0.00 C ATOM 786 C MET C 380 21.960 6.838 0.683 1.00 0.00 C ATOM 787 O MET C 380 21.300 6.205 -0.146 1.00 0.00 O ATOM 788 CB MET C 380 23.134 5.196 2.149 1.00 0.00 C ATOM 789 CG MET C 380 24.526 5.749 1.837 1.00 0.00 C ATOM 790 SD MET C 380 25.733 4.404 1.869 1.00 0.00 S ATOM 791 CE MET C 380 27.222 5.428 1.777 1.00 0.00 C ATOM 0 H MET C 380 20.518 4.975 2.270 1.00 0.00 H new ATOM 0 HA MET C 380 22.461 7.156 2.741 1.00 0.00 H new ATOM 0 HB2 MET C 380 23.132 4.720 3.129 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.864 4.430 1.422 1.00 0.00 H new ATOM 0 HG2 MET C 380 24.527 6.229 0.858 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.797 6.512 2.566 1.00 0.00 H new ATOM 0 HE1 MET C 380 28.105 4.788 1.784 1.00 0.00 H new ATOM 0 HE2 MET C 380 27.205 6.013 0.858 1.00 0.00 H new ATOM 0 HE3 MET C 380 27.255 6.100 2.634 1.00 0.00 H new ATOM 801 N SER C 381 22.579 7.980 0.401 1.00 0.00 N ATOM 802 CA SER C 381 22.524 8.563 -0.934 1.00 0.00 C ATOM 803 C SER C 381 23.384 7.750 -1.895 1.00 0.00 C ATOM 804 O SER C 381 24.476 7.306 -1.542 1.00 0.00 O ATOM 805 CB SER C 381 23.023 10.010 -0.900 1.00 0.00 C ATOM 806 OG SER C 381 24.440 10.021 -0.990 1.00 0.00 O ATOM 0 H SER C 381 23.122 8.518 1.076 1.00 0.00 H new ATOM 0 HA SER C 381 21.489 8.550 -1.277 1.00 0.00 H new ATOM 0 HB2 SER C 381 22.591 10.575 -1.726 1.00 0.00 H new ATOM 0 HB3 SER C 381 22.702 10.496 0.022 1.00 0.00 H new ATOM 0 HG SER C 381 24.762 10.946 -0.970 1.00 0.00 H new ATOM 812 N LEU C 382 22.884 7.557 -3.112 1.00 0.00 N ATOM 813 CA LEU C 382 23.614 6.790 -4.123 1.00 0.00 C ATOM 814 C LEU C 382 24.503 7.714 -4.950 1.00 0.00 C ATOM 815 O LEU C 382 25.118 7.288 -5.927 1.00 0.00 O ATOM 816 CB LEU C 382 22.623 6.068 -5.053 1.00 0.00 C ATOM 817 CG LEU C 382 21.367 6.951 -5.268 1.00 0.00 C ATOM 818 CD1 LEU C 382 20.843 6.778 -6.697 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.268 6.548 -4.275 1.00 0.00 C ATOM 0 H LEU C 382 21.982 7.918 -3.423 1.00 0.00 H new ATOM 0 HA LEU C 382 24.238 6.054 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU C 382 23.098 5.855 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU C 382 22.336 5.110 -4.620 1.00 0.00 H new ATOM 0 HG LEU C 382 21.640 7.994 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU C 382 19.961 7.402 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU C 382 21.616 7.075 -7.406 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.579 5.734 -6.864 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.389 7.173 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU C 382 20.003 5.502 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.631 6.682 -3.256 1.00 0.00 H new ATOM 831 N ASN C 383 24.559 8.976 -4.555 1.00 0.00 N ATOM 832 CA ASN C 383 25.371 9.962 -5.267 1.00 0.00 C ATOM 833 C ASN C 383 26.758 10.057 -4.644 1.00 0.00 C ATOM 834 O ASN C 383 27.391 11.112 -4.675 1.00 0.00 O ATOM 835 CB ASN C 383 24.696 11.333 -5.223 1.00 0.00 C ATOM 836 CG ASN C 383 23.437 11.322 -6.082 1.00 0.00 C ATOM 837 OD1 ASN C 383 23.294 10.478 -6.966 1.00 0.00 O ATOM 838 ND2 ASN C 383 22.507 12.214 -5.875 1.00 0.00 N ATOM 0 H ASN C 383 24.055 9.345 -3.749 1.00 0.00 H new ATOM 0 HA ASN C 383 25.468 9.642 -6.305 1.00 0.00 H new ATOM 0 HB2 ASN C 383 24.442 11.590 -4.195 1.00 0.00 H new ATOM 0 HB3 ASN C 383 25.384 12.098 -5.582 1.00 0.00 H new ATOM 0 HD21 ASN C 383 21.662 12.211 -6.446 1.00 0.00 H new ATOM 0 HD22 ASN C 383 22.625 12.914 -5.142 1.00 0.00 H new ATOM 845 N ILE C 384 27.223 8.945 -4.081 1.00 0.00 N ATOM 846 CA ILE C 384 28.539 8.909 -3.453 1.00 0.00 C ATOM 847 C ILE C 384 28.648 9.986 -2.377 1.00 0.00 C ATOM 848 O ILE C 384 28.939 11.117 -2.727 1.00 0.00 O ATOM 849 CB ILE C 384 29.627 9.126 -4.507 1.00 0.00 C ATOM 850 CG1 ILE C 384 29.604 7.968 -5.508 1.00 0.00 C ATOM 851 CG2 ILE C 384 30.995 9.180 -3.827 1.00 0.00 C ATOM 852 CD1 ILE C 384 30.452 8.331 -6.727 1.00 0.00 C ATOM 0 H ILE C 384 26.712 8.063 -4.047 1.00 0.00 H new ATOM 0 HA ILE C 384 28.673 7.932 -2.989 1.00 0.00 H new ATOM 0 HB ILE C 384 29.443 10.065 -5.029 1.00 0.00 H new ATOM 0 HG12 ILE C 384 29.989 7.062 -5.041 1.00 0.00 H new ATOM 0 HG13 ILE C 384 28.579 7.758 -5.814 1.00 0.00 H new ATOM 0 HG21 ILE C 384 31.769 9.335 -4.579 1.00 0.00 H new ATOM 0 HG22 ILE C 384 31.014 10.003 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE C 384 31.179 8.241 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE C 384 30.436 7.507 -7.440 1.00 0.00 H new ATOM 0 HD12 ILE C 384 30.047 9.226 -7.198 1.00 0.00 H new ATOM 0 HD13 ILE C 384 31.479 8.519 -6.413 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 6.991 -1.603 -8.261 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.099 0.204 0.852 1.00 0.00 ZN