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 358 HIS : no HD1:sc= -2.53! K(o=-2.5!,f=-1.6) USER MOD Set 1.2: C 377 THR OG1 : rot 156:sc= 0.0101 USER MOD Single : C 330 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : C 337 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : C 338 ASN : amide:sc= -0.0753 K(o=-0.075,f=-1.6!) USER MOD Single : C 347 SER OG : rot -105:sc= -0.0493 USER MOD Single : C 348 MET CE :methyl -114:sc= 0 (180deg=-0.11) USER MOD Single : C 349 GLN : amide:sc= -0.381 K(o=-0.38,f=-0.98) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 361 HIS : no HD1:sc= -3.73! K(o=-3.7!,f=-2) USER MOD Single : C 362 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.5) 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= 0.0188 USER MOD Single : C 374 SER OG : 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 Single : C 383 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.096 1.038 -16.114 1.00 0.00 N ATOM 2 CA ALA C 327 17.126 0.188 -16.776 1.00 0.00 C ATOM 3 C ALA C 327 17.212 -1.156 -16.060 1.00 0.00 C ATOM 4 O ALA C 327 17.863 -1.276 -15.021 1.00 0.00 O ATOM 5 CB ALA C 327 18.479 0.898 -16.721 1.00 0.00 C ATOM 0 HA ALA C 327 16.852 0.020 -17.817 1.00 0.00 H new ATOM 0 HB1 ALA C 327 19.235 0.279 -17.204 1.00 0.00 H new ATOM 0 HB2 ALA C 327 18.409 1.855 -17.238 1.00 0.00 H new ATOM 0 HB3 ALA C 327 18.759 1.067 -15.681 1.00 0.00 H new ATOM 11 N VAL C 328 16.556 -2.170 -16.627 1.00 0.00 N ATOM 12 CA VAL C 328 16.561 -3.513 -16.041 1.00 0.00 C ATOM 13 C VAL C 328 17.469 -4.442 -16.838 1.00 0.00 C ATOM 14 O VAL C 328 17.146 -4.830 -17.962 1.00 0.00 O ATOM 15 CB VAL C 328 15.138 -4.081 -16.038 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.154 -5.510 -15.474 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.234 -3.186 -15.176 1.00 0.00 C ATOM 0 H VAL C 328 16.016 -2.088 -17.488 1.00 0.00 H new ATOM 0 HA VAL C 328 16.934 -3.442 -15.019 1.00 0.00 H new ATOM 0 HB VAL C 328 14.752 -4.106 -17.057 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.141 -5.912 -15.473 1.00 0.00 H new ATOM 0 HG12 VAL C 328 15.793 -6.139 -16.094 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.539 -5.494 -14.455 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.221 -3.588 -15.172 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.617 -3.157 -14.156 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.222 -2.177 -15.588 1.00 0.00 H new ATOM 27 N ALA C 329 18.611 -4.795 -16.250 1.00 0.00 N ATOM 28 CA ALA C 329 19.575 -5.684 -16.905 1.00 0.00 C ATOM 29 C ALA C 329 19.523 -7.081 -16.291 1.00 0.00 C ATOM 30 O ALA C 329 20.142 -8.016 -16.800 1.00 0.00 O ATOM 31 CB ALA C 329 20.985 -5.113 -16.755 1.00 0.00 C ATOM 0 H ALA C 329 18.893 -4.480 -15.322 1.00 0.00 H new ATOM 0 HA ALA C 329 19.318 -5.757 -17.962 1.00 0.00 H new ATOM 0 HB1 ALA C 329 21.700 -5.776 -17.243 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.030 -4.127 -17.218 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.233 -5.028 -15.697 1.00 0.00 H new ATOM 37 N THR C 330 18.789 -7.210 -15.188 1.00 0.00 N ATOM 38 CA THR C 330 18.673 -8.493 -14.502 1.00 0.00 C ATOM 39 C THR C 330 17.594 -9.364 -15.163 1.00 0.00 C ATOM 40 O THR C 330 16.616 -8.843 -15.700 1.00 0.00 O ATOM 41 CB THR C 330 18.303 -8.257 -13.030 1.00 0.00 C ATOM 42 OG1 THR C 330 17.304 -7.251 -12.956 1.00 0.00 O ATOM 43 CG2 THR C 330 19.537 -7.806 -12.246 1.00 0.00 C ATOM 0 H THR C 330 18.269 -6.447 -14.753 1.00 0.00 H new ATOM 0 HA THR C 330 19.631 -9.009 -14.566 1.00 0.00 H new ATOM 0 HB THR C 330 17.927 -9.185 -12.600 1.00 0.00 H new ATOM 0 HG1 THR C 330 17.063 -7.098 -12.019 1.00 0.00 H new ATOM 0 HG21 THR C 330 19.265 -7.641 -11.203 1.00 0.00 H new ATOM 0 HG22 THR C 330 20.306 -8.576 -12.303 1.00 0.00 H new ATOM 0 HG23 THR C 330 19.920 -6.879 -12.672 1.00 0.00 H new ATOM 51 N PRO C 331 17.741 -10.670 -15.117 1.00 0.00 N ATOM 52 CA PRO C 331 16.743 -11.619 -15.716 1.00 0.00 C ATOM 53 C PRO C 331 15.391 -11.573 -14.993 1.00 0.00 C ATOM 54 O PRO C 331 15.317 -11.241 -13.809 1.00 0.00 O ATOM 55 CB PRO C 331 17.407 -12.994 -15.542 1.00 0.00 C ATOM 56 CG PRO C 331 18.337 -12.821 -14.386 1.00 0.00 C ATOM 57 CD PRO C 331 18.868 -11.398 -14.499 1.00 0.00 C ATOM 0 HA PRO C 331 16.516 -11.373 -16.753 1.00 0.00 H new ATOM 0 HB2 PRO C 331 16.667 -13.769 -15.343 1.00 0.00 H new ATOM 0 HB3 PRO C 331 17.945 -13.291 -16.442 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.818 -12.972 -13.439 1.00 0.00 H new ATOM 0 HG3 PRO C 331 19.149 -13.547 -14.424 1.00 0.00 H new ATOM 0 HD2 PRO C 331 19.128 -10.986 -13.524 1.00 0.00 H new ATOM 0 HD3 PRO C 331 19.766 -11.350 -15.115 1.00 0.00 H new ATOM 65 N GLU C 332 14.331 -11.928 -15.715 1.00 0.00 N ATOM 66 CA GLU C 332 12.990 -11.944 -15.140 1.00 0.00 C ATOM 67 C GLU C 332 12.874 -13.054 -14.097 1.00 0.00 C ATOM 68 O GLU C 332 11.975 -13.041 -13.256 1.00 0.00 O ATOM 69 CB GLU C 332 11.947 -12.166 -16.250 1.00 0.00 C ATOM 70 CG GLU C 332 11.641 -10.840 -16.954 1.00 0.00 C ATOM 71 CD GLU C 332 12.873 -10.347 -17.705 1.00 0.00 C ATOM 72 OE1 GLU C 332 13.754 -11.157 -17.953 1.00 0.00 O ATOM 73 OE2 GLU C 332 12.919 -9.171 -18.022 1.00 0.00 O ATOM 0 H GLU C 332 14.375 -12.207 -16.695 1.00 0.00 H new ATOM 0 HA GLU C 332 12.805 -10.984 -14.657 1.00 0.00 H new ATOM 0 HB2 GLU C 332 12.321 -12.893 -16.972 1.00 0.00 H new ATOM 0 HB3 GLU C 332 11.033 -12.581 -15.824 1.00 0.00 H new ATOM 0 HG2 GLU C 332 10.811 -10.971 -17.648 1.00 0.00 H new ATOM 0 HG3 GLU C 332 11.329 -10.095 -16.222 1.00 0.00 H new ATOM 80 N GLU C 333 13.785 -14.018 -14.163 1.00 0.00 N ATOM 81 CA GLU C 333 13.775 -15.132 -13.232 1.00 0.00 C ATOM 82 C GLU C 333 13.792 -14.617 -11.789 1.00 0.00 C ATOM 83 O GLU C 333 13.018 -15.078 -10.949 1.00 0.00 O ATOM 84 CB GLU C 333 14.993 -16.023 -13.514 1.00 0.00 C ATOM 85 CG GLU C 333 16.247 -15.319 -13.036 1.00 0.00 C ATOM 86 CD GLU C 333 17.490 -15.997 -13.608 1.00 0.00 C ATOM 87 OE1 GLU C 333 17.335 -16.998 -14.285 1.00 0.00 O ATOM 88 OE2 GLU C 333 18.579 -15.512 -13.344 1.00 0.00 O ATOM 0 H GLU C 333 14.537 -14.048 -14.851 1.00 0.00 H new ATOM 0 HA GLU C 333 12.865 -15.718 -13.363 1.00 0.00 H new ATOM 0 HB2 GLU C 333 14.883 -16.981 -13.006 1.00 0.00 H new ATOM 0 HB3 GLU C 333 15.065 -16.235 -14.581 1.00 0.00 H new ATOM 0 HG2 GLU C 333 16.223 -14.273 -13.341 1.00 0.00 H new ATOM 0 HG3 GLU C 333 16.286 -15.333 -11.947 1.00 0.00 H new ATOM 95 N LEU C 334 14.669 -13.651 -11.515 1.00 0.00 N ATOM 96 CA LEU C 334 14.768 -13.069 -10.180 1.00 0.00 C ATOM 97 C LEU C 334 13.523 -12.266 -9.839 1.00 0.00 C ATOM 98 O LEU C 334 13.013 -12.341 -8.720 1.00 0.00 O ATOM 99 CB LEU C 334 16.008 -12.165 -10.095 1.00 0.00 C ATOM 100 CG LEU C 334 16.061 -11.444 -8.736 1.00 0.00 C ATOM 101 CD1 LEU C 334 16.001 -12.465 -7.590 1.00 0.00 C ATOM 102 CD2 LEU C 334 17.373 -10.659 -8.645 1.00 0.00 C ATOM 0 H LEU C 334 15.317 -13.258 -12.197 1.00 0.00 H new ATOM 0 HA LEU C 334 14.859 -13.883 -9.460 1.00 0.00 H new ATOM 0 HB2 LEU C 334 16.910 -12.762 -10.231 1.00 0.00 H new ATOM 0 HB3 LEU C 334 15.986 -11.432 -10.901 1.00 0.00 H new ATOM 0 HG LEU C 334 15.209 -10.769 -8.652 1.00 0.00 H new ATOM 0 HD11 LEU C 334 16.039 -11.942 -6.634 1.00 0.00 H new ATOM 0 HD12 LEU C 334 15.073 -13.032 -7.656 1.00 0.00 H new ATOM 0 HD13 LEU C 334 16.849 -13.146 -7.665 1.00 0.00 H new ATOM 0 HD21 LEU C 334 17.423 -10.143 -7.686 1.00 0.00 H new ATOM 0 HD22 LEU C 334 18.215 -11.346 -8.732 1.00 0.00 H new ATOM 0 HD23 LEU C 334 17.417 -9.928 -9.453 1.00 0.00 H new ATOM 114 N ALA C 335 13.048 -11.491 -10.803 1.00 0.00 N ATOM 115 CA ALA C 335 11.869 -10.669 -10.588 1.00 0.00 C ATOM 116 C ALA C 335 10.657 -11.537 -10.285 1.00 0.00 C ATOM 117 O ALA C 335 9.942 -11.310 -9.307 1.00 0.00 O ATOM 118 CB ALA C 335 11.593 -9.820 -11.832 1.00 0.00 C ATOM 0 H ALA C 335 13.458 -11.415 -11.734 1.00 0.00 H new ATOM 0 HA ALA C 335 12.055 -10.017 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA C 335 10.708 -9.206 -11.665 1.00 0.00 H new ATOM 0 HB2 ALA C 335 12.449 -9.176 -12.030 1.00 0.00 H new ATOM 0 HB3 ALA C 335 11.425 -10.473 -12.688 1.00 0.00 H new ATOM 124 N VAL C 336 10.438 -12.543 -11.122 1.00 0.00 N ATOM 125 CA VAL C 336 9.308 -13.444 -10.947 1.00 0.00 C ATOM 126 C VAL C 336 9.410 -14.165 -9.615 1.00 0.00 C ATOM 127 O VAL C 336 8.426 -14.296 -8.889 1.00 0.00 O ATOM 128 CB VAL C 336 9.272 -14.456 -12.095 1.00 0.00 C ATOM 129 CG1 VAL C 336 8.147 -15.465 -11.853 1.00 0.00 C ATOM 130 CG2 VAL C 336 9.030 -13.715 -13.418 1.00 0.00 C ATOM 0 H VAL C 336 11.027 -12.755 -11.927 1.00 0.00 H new ATOM 0 HA VAL C 336 8.386 -12.863 -10.955 1.00 0.00 H new ATOM 0 HB VAL C 336 10.223 -14.986 -12.146 1.00 0.00 H new ATOM 0 HG11 VAL C 336 8.122 -16.185 -12.671 1.00 0.00 H new ATOM 0 HG12 VAL C 336 8.324 -15.989 -10.914 1.00 0.00 H new ATOM 0 HG13 VAL C 336 7.193 -14.941 -11.802 1.00 0.00 H new ATOM 0 HG21 VAL C 336 9.004 -14.433 -14.238 1.00 0.00 H new ATOM 0 HG22 VAL C 336 8.079 -13.185 -13.369 1.00 0.00 H new ATOM 0 HG23 VAL C 336 9.835 -13.000 -13.587 1.00 0.00 H new ATOM 140 N ASN C 337 10.610 -14.620 -9.294 1.00 0.00 N ATOM 141 CA ASN C 337 10.835 -15.313 -8.038 1.00 0.00 C ATOM 142 C ASN C 337 10.563 -14.376 -6.868 1.00 0.00 C ATOM 143 O ASN C 337 10.018 -14.787 -5.846 1.00 0.00 O ATOM 144 CB ASN C 337 12.273 -15.828 -7.967 1.00 0.00 C ATOM 145 CG ASN C 337 12.500 -16.552 -6.643 1.00 0.00 C ATOM 146 OD1 ASN C 337 11.581 -17.174 -6.108 1.00 0.00 O ATOM 147 ND2 ASN C 337 13.677 -16.511 -6.082 1.00 0.00 N ATOM 0 H ASN C 337 11.438 -14.523 -9.882 1.00 0.00 H new ATOM 0 HA ASN C 337 10.153 -16.162 -7.981 1.00 0.00 H new ATOM 0 HB2 ASN C 337 12.468 -16.504 -8.799 1.00 0.00 H new ATOM 0 HB3 ASN C 337 12.971 -14.997 -8.061 1.00 0.00 H new ATOM 0 HD21 ASN C 337 13.838 -16.995 -5.198 1.00 0.00 H new ATOM 0 HD22 ASN C 337 14.436 -15.995 -6.527 1.00 0.00 H new ATOM 154 N ASN C 338 10.954 -13.105 -7.024 1.00 0.00 N ATOM 155 CA ASN C 338 10.756 -12.107 -5.967 1.00 0.00 C ATOM 156 C ASN C 338 9.802 -11.011 -6.431 1.00 0.00 C ATOM 157 O ASN C 338 10.201 -9.861 -6.607 1.00 0.00 O ATOM 158 CB ASN C 338 12.101 -11.485 -5.583 1.00 0.00 C ATOM 159 CG ASN C 338 11.935 -10.604 -4.350 1.00 0.00 C ATOM 160 OD1 ASN C 338 11.025 -10.818 -3.549 1.00 0.00 O ATOM 161 ND2 ASN C 338 12.769 -9.620 -4.146 1.00 0.00 N ATOM 0 H ASN C 338 11.406 -12.746 -7.865 1.00 0.00 H new ATOM 0 HA ASN C 338 10.321 -12.605 -5.100 1.00 0.00 H new ATOM 0 HB2 ASN C 338 12.830 -12.270 -5.384 1.00 0.00 H new ATOM 0 HB3 ASN C 338 12.488 -10.894 -6.413 1.00 0.00 H new ATOM 0 HD21 ASN C 338 12.667 -9.027 -3.322 1.00 0.00 H new ATOM 0 HD22 ASN C 338 13.522 -9.444 -4.811 1.00 0.00 H new ATOM 168 N ASP C 339 8.538 -11.374 -6.621 1.00 0.00 N ATOM 169 CA ASP C 339 7.531 -10.413 -7.057 1.00 0.00 C ATOM 170 C ASP C 339 6.964 -9.661 -5.855 1.00 0.00 C ATOM 171 O ASP C 339 5.940 -10.045 -5.295 1.00 0.00 O ATOM 172 CB ASP C 339 6.404 -11.140 -7.794 1.00 0.00 C ATOM 173 CG ASP C 339 5.732 -12.141 -6.861 1.00 0.00 C ATOM 174 OD1 ASP C 339 6.236 -12.333 -5.766 1.00 0.00 O ATOM 175 OD2 ASP C 339 4.722 -12.701 -7.254 1.00 0.00 O ATOM 0 H ASP C 339 8.187 -12.322 -6.481 1.00 0.00 H new ATOM 0 HA ASP C 339 7.998 -9.696 -7.733 1.00 0.00 H new ATOM 0 HB2 ASP C 339 5.671 -10.419 -8.156 1.00 0.00 H new ATOM 0 HB3 ASP C 339 6.803 -11.656 -8.668 1.00 0.00 H new ATOM 180 N ASP C 340 7.645 -8.588 -5.467 1.00 0.00 N ATOM 181 CA ASP C 340 7.209 -7.786 -4.329 1.00 0.00 C ATOM 182 C ASP C 340 7.996 -6.482 -4.269 1.00 0.00 C ATOM 183 O ASP C 340 9.223 -6.482 -4.330 1.00 0.00 O ATOM 184 CB ASP C 340 7.411 -8.567 -3.028 1.00 0.00 C ATOM 185 CG ASP C 340 6.801 -7.800 -1.860 1.00 0.00 C ATOM 186 OD1 ASP C 340 5.600 -7.581 -1.882 1.00 0.00 O ATOM 187 OD2 ASP C 340 7.541 -7.443 -0.958 1.00 0.00 O ATOM 0 H ASP C 340 8.496 -8.255 -5.920 1.00 0.00 H new ATOM 0 HA ASP C 340 6.150 -7.557 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP C 340 6.949 -9.551 -3.109 1.00 0.00 H new ATOM 0 HB3 ASP C 340 8.475 -8.728 -2.852 1.00 0.00 H new ATOM 192 N CYS C 341 7.275 -5.368 -4.148 1.00 0.00 N ATOM 193 CA CYS C 341 7.905 -4.048 -4.079 1.00 0.00 C ATOM 194 C CYS C 341 7.893 -3.517 -2.652 1.00 0.00 C ATOM 195 O CYS C 341 6.945 -3.731 -1.908 1.00 0.00 O ATOM 196 CB CYS C 341 7.163 -3.064 -4.984 1.00 0.00 C ATOM 197 SG CYS C 341 8.236 -1.647 -5.333 1.00 0.00 S ATOM 0 H CYS C 341 6.256 -5.352 -4.096 1.00 0.00 H new ATOM 0 HA CYS C 341 8.938 -4.150 -4.412 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.874 -3.554 -5.914 1.00 0.00 H new ATOM 0 HB3 CYS C 341 6.245 -2.729 -4.501 1.00 0.00 H new ATOM 202 N ALA C 342 8.959 -2.826 -2.275 1.00 0.00 N ATOM 203 CA ALA C 342 9.052 -2.258 -0.934 1.00 0.00 C ATOM 204 C ALA C 342 8.469 -0.844 -0.922 1.00 0.00 C ATOM 205 O ALA C 342 8.028 -0.350 0.116 1.00 0.00 O ATOM 206 CB ALA C 342 10.517 -2.220 -0.480 1.00 0.00 C ATOM 0 H ALA C 342 9.766 -2.645 -2.871 1.00 0.00 H new ATOM 0 HA ALA C 342 8.482 -2.884 -0.247 1.00 0.00 H new ATOM 0 HB1 ALA C 342 10.577 -1.795 0.522 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.921 -3.232 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA C 342 11.096 -1.606 -1.170 1.00 0.00 H new ATOM 212 N ILE C 343 8.494 -0.191 -2.085 1.00 0.00 N ATOM 213 CA ILE C 343 7.991 1.179 -2.211 1.00 0.00 C ATOM 214 C ILE C 343 6.512 1.202 -2.599 1.00 0.00 C ATOM 215 O ILE C 343 5.668 1.671 -1.835 1.00 0.00 O ATOM 216 CB ILE C 343 8.806 1.924 -3.270 1.00 0.00 C ATOM 217 CG1 ILE C 343 10.266 2.006 -2.819 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.248 3.340 -3.447 1.00 0.00 C ATOM 219 CD1 ILE C 343 11.134 2.498 -3.978 1.00 0.00 C ATOM 0 H ILE C 343 8.856 -0.587 -2.952 1.00 0.00 H new ATOM 0 HA ILE C 343 8.094 1.667 -1.242 1.00 0.00 H new ATOM 0 HB ILE C 343 8.744 1.390 -4.218 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.357 2.683 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.609 1.027 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.830 3.869 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE C 343 7.207 3.284 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.309 3.876 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE C 343 12.173 2.556 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE C 343 11.052 1.804 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.796 3.486 -4.292 1.00 0.00 H new ATOM 231 N CYS C 344 6.205 0.714 -3.801 1.00 0.00 N ATOM 232 CA CYS C 344 4.826 0.709 -4.287 1.00 0.00 C ATOM 233 C CYS C 344 4.047 -0.477 -3.727 1.00 0.00 C ATOM 234 O CYS C 344 2.897 -0.707 -4.099 1.00 0.00 O ATOM 235 CB CYS C 344 4.818 0.645 -5.818 1.00 0.00 C ATOM 236 SG CYS C 344 5.474 -0.951 -6.365 1.00 0.00 S ATOM 0 H CYS C 344 6.886 0.321 -4.451 1.00 0.00 H new ATOM 0 HA CYS C 344 4.345 1.627 -3.950 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.803 0.779 -6.192 1.00 0.00 H new ATOM 0 HB3 CYS C 344 5.419 1.456 -6.229 1.00 0.00 H new ATOM 241 N TRP C 345 4.681 -1.229 -2.833 1.00 0.00 N ATOM 242 CA TRP C 345 4.037 -2.393 -2.225 1.00 0.00 C ATOM 243 C TRP C 345 3.233 -3.176 -3.259 1.00 0.00 C ATOM 244 O TRP C 345 2.319 -3.925 -2.912 1.00 0.00 O ATOM 245 CB TRP C 345 3.116 -1.943 -1.090 1.00 0.00 C ATOM 246 CG TRP C 345 2.147 -0.932 -1.604 1.00 0.00 C ATOM 247 CD1 TRP C 345 1.036 -1.218 -2.321 1.00 0.00 C ATOM 248 CD2 TRP C 345 2.182 0.515 -1.459 1.00 0.00 C ATOM 249 NE1 TRP C 345 0.388 -0.037 -2.626 1.00 0.00 N ATOM 250 CE2 TRP C 345 1.055 1.060 -2.117 1.00 0.00 C ATOM 251 CE3 TRP C 345 3.075 1.400 -0.828 1.00 0.00 C ATOM 252 CZ2 TRP C 345 0.820 2.436 -2.147 1.00 0.00 C ATOM 253 CZ3 TRP C 345 2.842 2.784 -0.857 1.00 0.00 C ATOM 254 CH2 TRP C 345 1.717 3.301 -1.513 1.00 0.00 C ATOM 0 H TRP C 345 5.634 -1.057 -2.514 1.00 0.00 H new ATOM 0 HA TRP C 345 4.815 -3.045 -1.828 1.00 0.00 H new ATOM 0 HB2 TRP C 345 2.581 -2.800 -0.681 1.00 0.00 H new ATOM 0 HB3 TRP C 345 3.705 -1.517 -0.277 1.00 0.00 H new ATOM 0 HD1 TRP C 345 0.710 -2.207 -2.608 1.00 0.00 H new ATOM 0 HE1 TRP C 345 -0.478 0.018 -3.162 1.00 0.00 H new ATOM 0 HE3 TRP C 345 3.945 1.012 -0.318 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 -0.048 2.829 -2.656 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 3.535 3.455 -0.370 1.00 0.00 H new ATOM 0 HH2 TRP C 345 1.543 4.367 -1.529 1.00 0.00 H new ATOM 265 N ASP C 346 3.580 -2.998 -4.535 1.00 0.00 N ATOM 266 CA ASP C 346 2.886 -3.690 -5.624 1.00 0.00 C ATOM 267 C ASP C 346 3.705 -4.892 -6.100 1.00 0.00 C ATOM 268 O ASP C 346 4.602 -5.358 -5.399 1.00 0.00 O ATOM 269 CB ASP C 346 2.669 -2.720 -6.792 1.00 0.00 C ATOM 270 CG ASP C 346 1.588 -3.242 -7.735 1.00 0.00 C ATOM 271 OD1 ASP C 346 0.832 -4.107 -7.325 1.00 0.00 O ATOM 272 OD2 ASP C 346 1.529 -2.764 -8.857 1.00 0.00 O ATOM 0 H ASP C 346 4.335 -2.383 -4.840 1.00 0.00 H new ATOM 0 HA ASP C 346 1.922 -4.045 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP C 346 2.382 -1.741 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP C 346 3.602 -2.587 -7.339 1.00 0.00 H new ATOM 277 N SER C 347 3.391 -5.385 -7.296 1.00 0.00 N ATOM 278 CA SER C 347 4.104 -6.527 -7.863 1.00 0.00 C ATOM 279 C SER C 347 4.040 -6.490 -9.390 1.00 0.00 C ATOM 280 O SER C 347 2.976 -6.689 -9.976 1.00 0.00 O ATOM 281 CB SER C 347 3.484 -7.829 -7.353 1.00 0.00 C ATOM 282 OG SER C 347 3.598 -7.881 -5.935 1.00 0.00 O ATOM 0 H SER C 347 2.650 -5.013 -7.890 1.00 0.00 H new ATOM 0 HA SER C 347 5.148 -6.476 -7.554 1.00 0.00 H new ATOM 0 HB2 SER C 347 2.436 -7.886 -7.647 1.00 0.00 H new ATOM 0 HB3 SER C 347 3.988 -8.685 -7.801 1.00 0.00 H new ATOM 0 HG SER C 347 4.305 -8.512 -5.687 1.00 0.00 H new ATOM 288 N MET C 348 5.182 -6.234 -10.034 1.00 0.00 N ATOM 289 CA MET C 348 5.239 -6.173 -11.500 1.00 0.00 C ATOM 290 C MET C 348 6.505 -6.852 -12.013 1.00 0.00 C ATOM 291 O MET C 348 7.423 -7.141 -11.243 1.00 0.00 O ATOM 292 CB MET C 348 5.229 -4.718 -11.974 1.00 0.00 C ATOM 293 CG MET C 348 4.009 -3.994 -11.399 1.00 0.00 C ATOM 294 SD MET C 348 2.487 -4.771 -12.001 1.00 0.00 S ATOM 295 CE MET C 348 2.437 -3.987 -13.633 1.00 0.00 C ATOM 0 H MET C 348 6.074 -6.067 -9.569 1.00 0.00 H new ATOM 0 HA MET C 348 4.364 -6.691 -11.893 1.00 0.00 H new ATOM 0 HB2 MET C 348 6.144 -4.216 -11.658 1.00 0.00 H new ATOM 0 HB3 MET C 348 5.206 -4.681 -13.063 1.00 0.00 H new ATOM 0 HG2 MET C 348 4.037 -4.026 -10.310 1.00 0.00 H new ATOM 0 HG3 MET C 348 4.030 -2.943 -11.688 1.00 0.00 H new ATOM 0 HE1 MET C 348 1.572 -3.327 -13.693 1.00 0.00 H new ATOM 0 HE2 MET C 348 3.347 -3.407 -13.786 1.00 0.00 H new ATOM 0 HE3 MET C 348 2.362 -4.755 -14.403 1.00 0.00 H new ATOM 305 N GLN C 349 6.544 -7.107 -13.315 1.00 0.00 N ATOM 306 CA GLN C 349 7.698 -7.756 -13.924 1.00 0.00 C ATOM 307 C GLN C 349 8.936 -6.873 -13.819 1.00 0.00 C ATOM 308 O GLN C 349 10.040 -7.364 -13.580 1.00 0.00 O ATOM 309 CB GLN C 349 7.410 -8.055 -15.398 1.00 0.00 C ATOM 310 CG GLN C 349 6.273 -9.074 -15.506 1.00 0.00 C ATOM 311 CD GLN C 349 6.725 -10.421 -14.953 1.00 0.00 C ATOM 312 OE1 GLN C 349 6.582 -10.684 -13.759 1.00 0.00 O ATOM 313 NE2 GLN C 349 7.271 -11.294 -15.755 1.00 0.00 N ATOM 0 H GLN C 349 5.794 -6.876 -13.967 1.00 0.00 H new ATOM 0 HA GLN C 349 7.886 -8.687 -13.390 1.00 0.00 H new ATOM 0 HB2 GLN C 349 7.139 -7.137 -15.919 1.00 0.00 H new ATOM 0 HB3 GLN C 349 8.306 -8.443 -15.882 1.00 0.00 H new ATOM 0 HG2 GLN C 349 5.402 -8.719 -14.955 1.00 0.00 H new ATOM 0 HG3 GLN C 349 5.969 -9.183 -16.547 1.00 0.00 H new ATOM 0 HE21 GLN C 349 7.389 -11.074 -16.744 1.00 0.00 H new ATOM 0 HE22 GLN C 349 7.580 -12.196 -15.393 1.00 0.00 H new ATOM 322 N ALA C 350 8.752 -5.571 -14.011 1.00 0.00 N ATOM 323 CA ALA C 350 9.872 -4.640 -13.946 1.00 0.00 C ATOM 324 C ALA C 350 10.623 -4.803 -12.632 1.00 0.00 C ATOM 325 O ALA C 350 10.036 -4.717 -11.551 1.00 0.00 O ATOM 326 CB ALA C 350 9.370 -3.202 -14.083 1.00 0.00 C ATOM 0 H ALA C 350 7.849 -5.141 -14.211 1.00 0.00 H new ATOM 0 HA ALA C 350 10.553 -4.860 -14.769 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.215 -2.515 -14.033 1.00 0.00 H new ATOM 0 HB2 ALA C 350 8.862 -3.084 -15.040 1.00 0.00 H new ATOM 0 HB3 ALA C 350 8.674 -2.981 -13.274 1.00 0.00 H new ATOM 332 N ALA C 351 11.927 -5.047 -12.735 1.00 0.00 N ATOM 333 CA ALA C 351 12.768 -5.235 -11.556 1.00 0.00 C ATOM 334 C ALA C 351 14.134 -4.594 -11.764 1.00 0.00 C ATOM 335 O ALA C 351 14.738 -4.730 -12.821 1.00 0.00 O ATOM 336 CB ALA C 351 12.938 -6.725 -11.288 1.00 0.00 C ATOM 0 H ALA C 351 12.424 -5.119 -13.623 1.00 0.00 H new ATOM 0 HA ALA C 351 12.287 -4.758 -10.702 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.566 -6.867 -10.408 1.00 0.00 H new ATOM 0 HB2 ALA C 351 11.962 -7.177 -11.114 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.409 -7.198 -12.150 1.00 0.00 H new ATOM 342 N ARG C 352 14.614 -3.897 -10.741 1.00 0.00 N ATOM 343 CA ARG C 352 15.913 -3.242 -10.814 1.00 0.00 C ATOM 344 C ARG C 352 16.578 -3.262 -9.446 1.00 0.00 C ATOM 345 O ARG C 352 15.900 -3.227 -8.421 1.00 0.00 O ATOM 346 CB ARG C 352 15.736 -1.814 -11.319 1.00 0.00 C ATOM 347 CG ARG C 352 17.104 -1.167 -11.486 1.00 0.00 C ATOM 348 CD ARG C 352 16.954 0.145 -12.259 1.00 0.00 C ATOM 349 NE ARG C 352 18.161 0.955 -12.137 1.00 0.00 N ATOM 350 CZ ARG C 352 18.356 2.018 -12.908 1.00 0.00 C ATOM 351 NH1 ARG C 352 17.463 2.348 -13.802 1.00 0.00 N ATOM 352 NH2 ARG C 352 19.441 2.731 -12.775 1.00 0.00 N ATOM 0 H ARG C 352 14.125 -3.771 -9.855 1.00 0.00 H new ATOM 0 HA ARG C 352 16.557 -3.777 -11.512 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.203 -1.816 -12.270 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.132 -1.240 -10.616 1.00 0.00 H new ATOM 0 HG2 ARG C 352 17.551 -0.978 -10.510 1.00 0.00 H new ATOM 0 HG3 ARG C 352 17.775 -1.841 -12.018 1.00 0.00 H new ATOM 0 HD2 ARG C 352 16.757 -0.067 -13.310 1.00 0.00 H new ATOM 0 HD3 ARG C 352 16.097 0.701 -11.879 1.00 0.00 H new ATOM 0 HE ARG C 352 18.868 0.700 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG C 352 16.616 1.789 -13.908 1.00 0.00 H new ATOM 0 HH12 ARG C 352 17.612 3.165 -14.395 1.00 0.00 H new ATOM 0 HH21 ARG C 352 20.140 2.472 -12.078 1.00 0.00 H new ATOM 0 HH22 ARG C 352 19.590 3.548 -13.368 1.00 0.00 H new ATOM 366 N LYS C 353 17.909 -3.334 -9.427 1.00 0.00 N ATOM 367 CA LYS C 353 18.656 -3.380 -8.169 1.00 0.00 C ATOM 368 C LYS C 353 19.426 -2.084 -7.941 1.00 0.00 C ATOM 369 O LYS C 353 20.019 -1.529 -8.867 1.00 0.00 O ATOM 370 CB LYS C 353 19.628 -4.566 -8.201 1.00 0.00 C ATOM 371 CG LYS C 353 20.297 -4.723 -6.837 1.00 0.00 C ATOM 372 CD LYS C 353 21.282 -5.901 -6.863 1.00 0.00 C ATOM 373 CE LYS C 353 20.530 -7.239 -6.798 1.00 0.00 C ATOM 374 NZ LYS C 353 21.499 -8.336 -6.505 1.00 0.00 N ATOM 0 H LYS C 353 18.491 -3.362 -10.265 1.00 0.00 H new ATOM 0 HA LYS C 353 17.950 -3.502 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.093 -5.479 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.383 -4.408 -8.971 1.00 0.00 H new ATOM 0 HG2 LYS C 353 20.823 -3.805 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.541 -4.888 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS C 353 21.882 -5.859 -7.772 1.00 0.00 H new ATOM 0 HD3 LYS C 353 21.971 -5.824 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS C 353 19.762 -7.201 -6.025 1.00 0.00 H new ATOM 0 HE3 LYS C 353 20.022 -7.430 -7.743 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 20.993 -9.243 -6.460 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 22.216 -8.376 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 21.964 -8.154 -5.593 1.00 0.00 H new ATOM 388 N LEU C 354 19.408 -1.607 -6.694 1.00 0.00 N ATOM 389 CA LEU C 354 20.107 -0.373 -6.329 1.00 0.00 C ATOM 390 C LEU C 354 21.545 -0.702 -5.895 1.00 0.00 C ATOM 391 O LEU C 354 21.814 -1.808 -5.423 1.00 0.00 O ATOM 392 CB LEU C 354 19.363 0.317 -5.162 1.00 0.00 C ATOM 393 CG LEU C 354 18.202 1.177 -5.678 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.244 1.459 -4.515 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.712 2.513 -6.228 1.00 0.00 C ATOM 0 H LEU C 354 18.917 -2.056 -5.921 1.00 0.00 H new ATOM 0 HA LEU C 354 20.132 0.295 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.983 -0.437 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU C 354 20.059 0.940 -4.600 1.00 0.00 H new ATOM 0 HG LEU C 354 17.696 0.638 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.413 2.070 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.861 0.517 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.776 1.991 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.870 3.104 -6.587 1.00 0.00 H new ATOM 0 HD22 LEU C 354 19.227 3.059 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU C 354 19.403 2.328 -7.051 1.00 0.00 H new ATOM 407 N PRO C 355 22.463 0.234 -6.027 1.00 0.00 N ATOM 408 CA PRO C 355 23.890 0.032 -5.618 1.00 0.00 C ATOM 409 C PRO C 355 24.015 -0.244 -4.116 1.00 0.00 C ATOM 410 O PRO C 355 25.018 -0.789 -3.654 1.00 0.00 O ATOM 411 CB PRO C 355 24.577 1.361 -6.008 1.00 0.00 C ATOM 412 CG PRO C 355 23.468 2.360 -6.087 1.00 0.00 C ATOM 413 CD PRO C 355 22.255 1.582 -6.584 1.00 0.00 C ATOM 0 HA PRO C 355 24.343 -0.833 -6.102 1.00 0.00 H new ATOM 0 HB2 PRO C 355 25.320 1.654 -5.266 1.00 0.00 H new ATOM 0 HB3 PRO C 355 25.097 1.272 -6.962 1.00 0.00 H new ATOM 0 HG2 PRO C 355 23.274 2.809 -5.113 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.719 3.173 -6.769 1.00 0.00 H new ATOM 0 HD2 PRO C 355 21.323 2.023 -6.232 1.00 0.00 H new ATOM 0 HD3 PRO C 355 22.208 1.564 -7.673 1.00 0.00 H new ATOM 421 N CYS C 356 22.988 0.141 -3.364 1.00 0.00 N ATOM 422 CA CYS C 356 22.981 -0.067 -1.920 1.00 0.00 C ATOM 423 C CYS C 356 22.728 -1.543 -1.593 1.00 0.00 C ATOM 424 O CYS C 356 23.508 -2.174 -0.879 1.00 0.00 O ATOM 425 CB CYS C 356 21.893 0.818 -1.289 1.00 0.00 C ATOM 426 SG CYS C 356 21.384 0.167 0.326 1.00 0.00 S ATOM 0 H CYS C 356 22.152 0.597 -3.730 1.00 0.00 H new ATOM 0 HA CYS C 356 23.953 0.207 -1.510 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.268 1.835 -1.174 1.00 0.00 H new ATOM 0 HB3 CYS C 356 21.030 0.869 -1.953 1.00 0.00 H new ATOM 431 N GLY C 357 21.625 -2.080 -2.117 1.00 0.00 N ATOM 432 CA GLY C 357 21.260 -3.484 -1.879 1.00 0.00 C ATOM 433 C GLY C 357 19.747 -3.628 -1.718 1.00 0.00 C ATOM 434 O GLY C 357 19.268 -4.228 -0.754 1.00 0.00 O ATOM 0 H GLY C 357 20.969 -1.569 -2.707 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.603 -4.100 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.763 -3.849 -0.983 1.00 0.00 H new ATOM 438 N HIS C 358 19.007 -3.105 -2.690 1.00 0.00 N ATOM 439 CA HIS C 358 17.548 -3.178 -2.678 1.00 0.00 C ATOM 440 C HIS C 358 17.031 -3.430 -4.100 1.00 0.00 C ATOM 441 O HIS C 358 17.614 -2.944 -5.070 1.00 0.00 O ATOM 442 CB HIS C 358 16.979 -1.855 -2.121 1.00 0.00 C ATOM 443 CG HIS C 358 16.852 -1.948 -0.618 1.00 0.00 C ATOM 444 ND1 HIS C 358 17.633 -1.190 0.260 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.053 -2.732 0.175 1.00 0.00 C ATOM 446 CE1 HIS C 358 17.284 -1.545 1.507 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.327 -2.479 1.513 1.00 0.00 N ATOM 0 H HIS C 358 19.395 -2.623 -3.501 1.00 0.00 H new ATOM 0 HA HIS C 358 17.223 -4.001 -2.041 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.633 -1.025 -2.390 1.00 0.00 H new ATOM 0 HB3 HIS C 358 16.005 -1.651 -2.566 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.321 -3.439 -0.187 1.00 0.00 H new ATOM 0 HE1 HIS C 358 17.724 -1.126 2.400 1.00 0.00 H new ATOM 0 HE2 HIS C 358 15.891 -2.913 2.327 1.00 0.00 H new ATOM 455 N LEU C 359 15.946 -4.206 -4.225 1.00 0.00 N ATOM 456 CA LEU C 359 15.379 -4.519 -5.541 1.00 0.00 C ATOM 457 C LEU C 359 14.086 -3.763 -5.750 1.00 0.00 C ATOM 458 O LEU C 359 13.090 -4.045 -5.088 1.00 0.00 O ATOM 459 CB LEU C 359 15.088 -6.019 -5.641 1.00 0.00 C ATOM 460 CG LEU C 359 14.780 -6.403 -7.107 1.00 0.00 C ATOM 461 CD1 LEU C 359 16.079 -6.754 -7.839 1.00 0.00 C ATOM 462 CD2 LEU C 359 13.845 -7.622 -7.140 1.00 0.00 C ATOM 0 H LEU C 359 15.448 -4.624 -3.439 1.00 0.00 H new ATOM 0 HA LEU C 359 16.102 -4.227 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU C 359 15.944 -6.589 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.242 -6.277 -5.004 1.00 0.00 H new ATOM 0 HG LEU C 359 14.300 -5.556 -7.598 1.00 0.00 H new ATOM 0 HD11 LEU C 359 15.854 -7.023 -8.871 1.00 0.00 H new ATOM 0 HD12 LEU C 359 16.748 -5.893 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU C 359 16.561 -7.595 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU C 359 13.631 -7.889 -8.175 1.00 0.00 H new ATOM 0 HD22 LEU C 359 14.326 -8.463 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU C 359 12.914 -7.380 -6.628 1.00 0.00 H new ATOM 474 N PHE C 360 14.116 -2.807 -6.678 1.00 0.00 N ATOM 475 CA PHE C 360 12.956 -1.958 -6.989 1.00 0.00 C ATOM 476 C PHE C 360 12.627 -2.031 -8.470 1.00 0.00 C ATOM 477 O PHE C 360 13.492 -2.306 -9.301 1.00 0.00 O ATOM 478 CB PHE C 360 13.344 -0.511 -6.635 1.00 0.00 C ATOM 479 CG PHE C 360 13.477 -0.273 -5.127 1.00 0.00 C ATOM 480 CD1 PHE C 360 13.042 -1.200 -4.149 1.00 0.00 C ATOM 481 CD2 PHE C 360 14.147 0.877 -4.707 1.00 0.00 C ATOM 482 CE1 PHE C 360 13.258 -0.951 -2.792 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.357 1.125 -3.353 1.00 0.00 C ATOM 484 CZ PHE C 360 13.913 0.217 -2.393 1.00 0.00 C ATOM 0 H PHE C 360 14.942 -2.596 -7.237 1.00 0.00 H new ATOM 0 HA PHE C 360 12.085 -2.291 -6.425 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.289 -0.266 -7.120 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.594 0.169 -7.039 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.540 -2.106 -4.455 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.507 1.583 -5.441 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.919 -1.661 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.867 2.026 -3.045 1.00 0.00 H new ATOM 0 HZ PHE C 360 14.075 0.416 -1.344 1.00 0.00 H new ATOM 494 N HIS C 361 11.360 -1.790 -8.793 1.00 0.00 N ATOM 495 CA HIS C 361 10.906 -1.835 -10.178 1.00 0.00 C ATOM 496 C HIS C 361 11.428 -0.626 -10.952 1.00 0.00 C ATOM 497 O HIS C 361 11.874 0.356 -10.357 1.00 0.00 O ATOM 498 CB HIS C 361 9.375 -1.861 -10.232 1.00 0.00 C ATOM 499 CG HIS C 361 8.877 -3.037 -9.445 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.569 -3.132 -8.992 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.504 -4.181 -9.031 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.457 -4.306 -8.341 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.607 -4.982 -8.336 1.00 0.00 N ATOM 0 H HIS C 361 10.632 -1.562 -8.116 1.00 0.00 H new ATOM 0 HA HIS C 361 11.296 -2.743 -10.638 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.968 -0.936 -9.824 1.00 0.00 H new ATOM 0 HB3 HIS C 361 9.036 -1.929 -11.266 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.540 -4.424 -9.217 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.546 -4.657 -7.879 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.789 -5.892 -7.913 1.00 0.00 H new ATOM 511 N ASN C 362 11.385 -0.708 -12.276 1.00 0.00 N ATOM 512 CA ASN C 362 11.872 0.381 -13.119 1.00 0.00 C ATOM 513 C ASN C 362 11.102 1.667 -12.834 1.00 0.00 C ATOM 514 O ASN C 362 11.699 2.729 -12.671 1.00 0.00 O ATOM 515 CB ASN C 362 11.703 0.005 -14.595 1.00 0.00 C ATOM 516 CG ASN C 362 12.119 1.168 -15.489 1.00 0.00 C ATOM 517 OD1 ASN C 362 11.265 1.883 -16.016 1.00 0.00 O ATOM 518 ND2 ASN C 362 13.386 1.397 -15.696 1.00 0.00 N ATOM 0 H ASN C 362 11.021 -1.511 -12.788 1.00 0.00 H new ATOM 0 HA ASN C 362 12.926 0.546 -12.897 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.307 -0.873 -14.825 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.665 -0.261 -14.793 1.00 0.00 H new ATOM 0 HD21 ASN C 362 13.673 2.170 -16.296 1.00 0.00 H new ATOM 0 HD22 ASN C 362 14.090 0.803 -15.258 1.00 0.00 H new ATOM 525 N SER C 363 9.781 1.564 -12.768 1.00 0.00 N ATOM 526 CA SER C 363 8.947 2.727 -12.494 1.00 0.00 C ATOM 527 C SER C 363 9.095 3.170 -11.041 1.00 0.00 C ATOM 528 O SER C 363 9.159 4.363 -10.748 1.00 0.00 O ATOM 529 CB SER C 363 7.485 2.385 -12.770 1.00 0.00 C ATOM 530 OG SER C 363 7.296 2.213 -14.168 1.00 0.00 O ATOM 0 H SER C 363 9.267 0.693 -12.899 1.00 0.00 H new ATOM 0 HA SER C 363 9.268 3.542 -13.143 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.207 1.474 -12.240 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.838 3.180 -12.400 1.00 0.00 H new ATOM 0 HG SER C 363 6.358 1.992 -14.347 1.00 0.00 H new ATOM 536 N CYS C 364 9.137 2.199 -10.133 1.00 0.00 N ATOM 537 CA CYS C 364 9.264 2.502 -8.713 1.00 0.00 C ATOM 538 C CYS C 364 10.602 3.169 -8.418 1.00 0.00 C ATOM 539 O CYS C 364 10.660 4.199 -7.739 1.00 0.00 O ATOM 540 CB CYS C 364 9.148 1.216 -7.886 1.00 0.00 C ATOM 541 SG CYS C 364 7.501 0.496 -8.102 1.00 0.00 S ATOM 0 H CYS C 364 9.085 1.204 -10.353 1.00 0.00 H new ATOM 0 HA CYS C 364 8.460 3.186 -8.442 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.911 0.502 -8.197 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.325 1.433 -6.833 1.00 0.00 H new ATOM 546 N LEU C 365 11.678 2.582 -8.933 1.00 0.00 N ATOM 547 CA LEU C 365 13.005 3.142 -8.711 1.00 0.00 C ATOM 548 C LEU C 365 13.118 4.516 -9.382 1.00 0.00 C ATOM 549 O LEU C 365 13.498 5.497 -8.750 1.00 0.00 O ATOM 550 CB LEU C 365 14.070 2.174 -9.270 1.00 0.00 C ATOM 551 CG LEU C 365 15.415 2.358 -8.546 1.00 0.00 C ATOM 552 CD1 LEU C 365 16.498 1.538 -9.244 1.00 0.00 C ATOM 553 CD2 LEU C 365 15.817 3.828 -8.558 1.00 0.00 C ATOM 0 H LEU C 365 11.659 1.733 -9.498 1.00 0.00 H new ATOM 0 HA LEU C 365 13.170 3.271 -7.641 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.728 1.145 -9.155 1.00 0.00 H new ATOM 0 HB3 LEU C 365 14.201 2.349 -10.338 1.00 0.00 H new ATOM 0 HG LEU C 365 15.306 2.019 -7.516 1.00 0.00 H new ATOM 0 HD11 LEU C 365 17.447 1.673 -8.726 1.00 0.00 H new ATOM 0 HD12 LEU C 365 16.223 0.483 -9.228 1.00 0.00 H new ATOM 0 HD13 LEU C 365 16.598 1.871 -10.277 1.00 0.00 H new ATOM 0 HD21 LEU C 365 16.770 3.949 -8.043 1.00 0.00 H new ATOM 0 HD22 LEU C 365 15.915 4.170 -9.588 1.00 0.00 H new ATOM 0 HD23 LEU C 365 15.054 4.418 -8.051 1.00 0.00 H new ATOM 565 N ARG C 366 12.768 4.580 -10.662 1.00 0.00 N ATOM 566 CA ARG C 366 12.836 5.838 -11.404 1.00 0.00 C ATOM 567 C ARG C 366 12.042 6.916 -10.689 1.00 0.00 C ATOM 568 O ARG C 366 12.513 8.041 -10.524 1.00 0.00 O ATOM 569 CB ARG C 366 12.289 5.624 -12.819 1.00 0.00 C ATOM 570 CG ARG C 366 13.328 4.871 -13.656 1.00 0.00 C ATOM 571 CD ARG C 366 12.725 4.496 -15.012 1.00 0.00 C ATOM 572 NE ARG C 366 12.381 5.702 -15.761 1.00 0.00 N ATOM 573 CZ ARG C 366 13.281 6.328 -16.513 1.00 0.00 C ATOM 574 NH1 ARG C 366 14.499 5.871 -16.590 1.00 0.00 N ATOM 575 NH2 ARG C 366 12.943 7.402 -17.175 1.00 0.00 N ATOM 0 H ARG C 366 12.436 3.783 -11.206 1.00 0.00 H new ATOM 0 HA ARG C 366 13.875 6.163 -11.466 1.00 0.00 H new ATOM 0 HB2 ARG C 366 11.358 5.058 -12.780 1.00 0.00 H new ATOM 0 HB3 ARG C 366 12.059 6.584 -13.281 1.00 0.00 H new ATOM 0 HG2 ARG C 366 14.212 5.492 -13.800 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.651 3.973 -13.130 1.00 0.00 H new ATOM 0 HD2 ARG C 366 13.435 3.896 -15.581 1.00 0.00 H new ATOM 0 HD3 ARG C 366 11.835 3.883 -14.866 1.00 0.00 H new ATOM 0 HE ARG C 366 11.432 6.071 -15.706 1.00 0.00 H new ATOM 0 HH11 ARG C 366 14.763 5.032 -16.073 1.00 0.00 H new ATOM 0 HH12 ARG C 366 15.189 6.352 -17.167 1.00 0.00 H new ATOM 0 HH21 ARG C 366 11.990 7.759 -17.115 1.00 0.00 H new ATOM 0 HH22 ARG C 366 13.632 7.883 -17.752 1.00 0.00 H new ATOM 589 N SER C 367 10.842 6.568 -10.262 1.00 0.00 N ATOM 590 CA SER C 367 10.004 7.522 -9.562 1.00 0.00 C ATOM 591 C SER C 367 10.758 8.063 -8.351 1.00 0.00 C ATOM 592 O SER C 367 10.752 9.268 -8.088 1.00 0.00 O ATOM 593 CB SER C 367 8.704 6.852 -9.110 1.00 0.00 C ATOM 594 OG SER C 367 8.061 7.678 -8.149 1.00 0.00 O ATOM 0 H SER C 367 10.430 5.643 -10.386 1.00 0.00 H new ATOM 0 HA SER C 367 9.757 8.344 -10.234 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.048 6.691 -9.965 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.916 5.872 -8.681 1.00 0.00 H new ATOM 0 HG SER C 367 7.227 7.253 -7.858 1.00 0.00 H new ATOM 600 N TRP C 368 11.422 7.164 -7.626 1.00 0.00 N ATOM 601 CA TRP C 368 12.190 7.566 -6.452 1.00 0.00 C ATOM 602 C TRP C 368 13.313 8.529 -6.845 1.00 0.00 C ATOM 603 O TRP C 368 13.575 9.504 -6.142 1.00 0.00 O ATOM 604 CB TRP C 368 12.786 6.334 -5.747 1.00 0.00 C ATOM 605 CG TRP C 368 13.042 6.658 -4.307 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.258 6.890 -3.759 1.00 0.00 C ATOM 607 CD2 TRP C 368 12.075 6.798 -3.231 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.094 7.171 -2.414 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.765 7.123 -2.041 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.674 6.676 -3.176 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.091 7.319 -0.836 1.00 0.00 C ATOM 612 CZ3 TRP C 368 9.993 6.871 -1.965 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.699 7.192 -0.796 1.00 0.00 C ATOM 0 H TRP C 368 11.443 6.165 -7.828 1.00 0.00 H new ATOM 0 HA TRP C 368 11.513 8.074 -5.765 1.00 0.00 H new ATOM 0 HB2 TRP C 368 12.100 5.490 -5.825 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.714 6.036 -6.235 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.201 6.861 -4.285 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.860 7.387 -1.776 1.00 0.00 H new ATOM 0 HE3 TRP C 368 10.120 6.431 -4.070 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.640 7.567 0.060 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 8.918 6.773 -1.933 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.169 7.341 0.133 1.00 0.00 H new ATOM 624 N LEU C 369 13.979 8.243 -7.963 1.00 0.00 N ATOM 625 CA LEU C 369 15.078 9.098 -8.415 1.00 0.00 C ATOM 626 C LEU C 369 14.567 10.504 -8.721 1.00 0.00 C ATOM 627 O LEU C 369 15.268 11.493 -8.492 1.00 0.00 O ATOM 628 CB LEU C 369 15.735 8.525 -9.676 1.00 0.00 C ATOM 629 CG LEU C 369 16.332 7.140 -9.398 1.00 0.00 C ATOM 630 CD1 LEU C 369 16.920 6.587 -10.703 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.432 7.228 -8.329 1.00 0.00 C ATOM 0 H LEU C 369 13.783 7.442 -8.563 1.00 0.00 H new ATOM 0 HA LEU C 369 15.815 9.140 -7.613 1.00 0.00 H new ATOM 0 HB2 LEU C 369 14.998 8.454 -10.476 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.517 9.200 -10.023 1.00 0.00 H new ATOM 0 HG LEU C 369 15.549 6.478 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.348 5.602 -10.520 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.132 6.507 -11.452 1.00 0.00 H new ATOM 0 HD13 LEU C 369 17.698 7.259 -11.065 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.842 6.235 -8.147 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.225 7.890 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU C 369 17.010 7.622 -7.404 1.00 0.00 H new ATOM 643 N GLU C 370 13.342 10.586 -9.223 1.00 0.00 N ATOM 644 CA GLU C 370 12.743 11.877 -9.543 1.00 0.00 C ATOM 645 C GLU C 370 12.429 12.643 -8.258 1.00 0.00 C ATOM 646 O GLU C 370 12.591 13.860 -8.194 1.00 0.00 O ATOM 647 CB GLU C 370 11.461 11.685 -10.364 1.00 0.00 C ATOM 648 CG GLU C 370 11.805 11.072 -11.725 1.00 0.00 C ATOM 649 CD GLU C 370 12.636 12.050 -12.552 1.00 0.00 C ATOM 650 OE1 GLU C 370 12.581 13.234 -12.261 1.00 0.00 O ATOM 651 OE2 GLU C 370 13.311 11.602 -13.463 1.00 0.00 O ATOM 0 H GLU C 370 12.746 9.781 -9.417 1.00 0.00 H new ATOM 0 HA GLU C 370 13.455 12.452 -10.136 1.00 0.00 H new ATOM 0 HB2 GLU C 370 10.768 11.037 -9.827 1.00 0.00 H new ATOM 0 HB3 GLU C 370 10.960 12.643 -10.502 1.00 0.00 H new ATOM 0 HG2 GLU C 370 12.358 10.143 -11.584 1.00 0.00 H new ATOM 0 HG3 GLU C 370 10.889 10.820 -12.260 1.00 0.00 H new ATOM 658 N GLN C 371 11.981 11.914 -7.235 1.00 0.00 N ATOM 659 CA GLN C 371 11.652 12.533 -5.953 1.00 0.00 C ATOM 660 C GLN C 371 12.914 12.802 -5.135 1.00 0.00 C ATOM 661 O GLN C 371 13.177 13.940 -4.744 1.00 0.00 O ATOM 662 CB GLN C 371 10.716 11.618 -5.156 1.00 0.00 C ATOM 663 CG GLN C 371 10.315 12.304 -3.847 1.00 0.00 C ATOM 664 CD GLN C 371 9.295 11.451 -3.101 1.00 0.00 C ATOM 665 OE1 GLN C 371 9.582 10.309 -2.743 1.00 0.00 O ATOM 666 NE2 GLN C 371 8.112 11.942 -2.843 1.00 0.00 N ATOM 0 H GLN C 371 11.839 10.904 -7.269 1.00 0.00 H new ATOM 0 HA GLN C 371 11.157 13.483 -6.153 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.828 11.389 -5.745 1.00 0.00 H new ATOM 0 HB3 GLN C 371 11.211 10.670 -4.944 1.00 0.00 H new ATOM 0 HG2 GLN C 371 11.196 12.460 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN C 371 9.895 13.288 -4.056 1.00 0.00 H new ATOM 0 HE21 GLN C 371 7.877 12.889 -3.141 1.00 0.00 H new ATOM 0 HE22 GLN C 371 7.424 11.379 -2.344 1.00 0.00 H new ATOM 675 N ASP C 372 13.692 11.751 -4.876 1.00 0.00 N ATOM 676 CA ASP C 372 14.924 11.895 -4.099 1.00 0.00 C ATOM 677 C ASP C 372 15.904 10.767 -4.414 1.00 0.00 C ATOM 678 O ASP C 372 15.501 9.638 -4.692 1.00 0.00 O ATOM 679 CB ASP C 372 14.598 11.875 -2.603 1.00 0.00 C ATOM 680 CG ASP C 372 15.782 12.408 -1.801 1.00 0.00 C ATOM 681 OD1 ASP C 372 16.804 12.690 -2.406 1.00 0.00 O ATOM 682 OD2 ASP C 372 15.652 12.524 -0.594 1.00 0.00 O ATOM 0 H ASP C 372 13.495 10.800 -5.189 1.00 0.00 H new ATOM 0 HA ASP C 372 15.386 12.845 -4.367 1.00 0.00 H new ATOM 0 HB2 ASP C 372 13.714 12.482 -2.407 1.00 0.00 H new ATOM 0 HB3 ASP C 372 14.363 10.858 -2.288 1.00 0.00 H new ATOM 687 N THR C 373 17.199 11.081 -4.355 1.00 0.00 N ATOM 688 CA THR C 373 18.245 10.092 -4.621 1.00 0.00 C ATOM 689 C THR C 373 18.782 9.532 -3.308 1.00 0.00 C ATOM 690 O THR C 373 19.974 9.640 -3.015 1.00 0.00 O ATOM 691 CB THR C 373 19.387 10.737 -5.408 1.00 0.00 C ATOM 692 OG1 THR C 373 19.743 11.971 -4.800 1.00 0.00 O ATOM 693 CG2 THR C 373 18.937 10.987 -6.849 1.00 0.00 C ATOM 0 H THR C 373 17.549 12.011 -4.126 1.00 0.00 H new ATOM 0 HA THR C 373 17.817 9.280 -5.209 1.00 0.00 H new ATOM 0 HB THR C 373 20.250 10.071 -5.409 1.00 0.00 H new ATOM 0 HG1 THR C 373 20.476 12.384 -5.303 1.00 0.00 H new ATOM 0 HG21 THR C 373 19.751 11.447 -7.410 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.665 10.040 -7.315 1.00 0.00 H new ATOM 0 HG23 THR C 373 18.074 11.653 -6.850 1.00 0.00 H new ATOM 701 N SER C 374 17.890 8.929 -2.522 1.00 0.00 N ATOM 702 CA SER C 374 18.265 8.343 -1.235 1.00 0.00 C ATOM 703 C SER C 374 17.671 6.951 -1.092 1.00 0.00 C ATOM 704 O SER C 374 16.686 6.612 -1.749 1.00 0.00 O ATOM 705 CB SER C 374 17.783 9.226 -0.083 1.00 0.00 C ATOM 706 OG SER C 374 16.431 8.908 0.220 1.00 0.00 O ATOM 0 H SER C 374 16.901 8.833 -2.754 1.00 0.00 H new ATOM 0 HA SER C 374 19.352 8.273 -1.198 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.410 9.072 0.795 1.00 0.00 H new ATOM 0 HB3 SER C 374 17.869 10.278 -0.356 1.00 0.00 H new ATOM 0 HG SER C 374 16.120 9.471 0.959 1.00 0.00 H new ATOM 712 N CYS C 375 18.286 6.150 -0.228 1.00 0.00 N ATOM 713 CA CYS C 375 17.822 4.786 0.000 1.00 0.00 C ATOM 714 C CYS C 375 16.580 4.778 0.913 1.00 0.00 C ATOM 715 O CYS C 375 16.677 5.149 2.079 1.00 0.00 O ATOM 716 CB CYS C 375 18.928 3.981 0.671 1.00 0.00 C ATOM 717 SG CYS C 375 18.387 2.264 0.854 1.00 0.00 S ATOM 0 H CYS C 375 19.101 6.419 0.323 1.00 0.00 H new ATOM 0 HA CYS C 375 17.560 4.345 -0.962 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.840 4.026 0.075 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.163 4.407 1.646 1.00 0.00 H new ATOM 722 N PRO C 376 15.428 4.355 0.442 1.00 0.00 N ATOM 723 CA PRO C 376 14.201 4.316 1.295 1.00 0.00 C ATOM 724 C PRO C 376 14.420 3.598 2.629 1.00 0.00 C ATOM 725 O PRO C 376 13.740 3.889 3.613 1.00 0.00 O ATOM 726 CB PRO C 376 13.180 3.551 0.436 1.00 0.00 C ATOM 727 CG PRO C 376 13.620 3.767 -0.972 1.00 0.00 C ATOM 728 CD PRO C 376 15.148 3.883 -0.927 1.00 0.00 C ATOM 0 HA PRO C 376 13.880 5.321 1.570 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.169 2.490 0.688 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.170 3.927 0.596 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.311 2.938 -1.608 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.173 4.671 -1.386 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.627 2.924 -1.125 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.518 4.585 -1.675 1.00 0.00 H new ATOM 736 N THR C 377 15.358 2.652 2.661 1.00 0.00 N ATOM 737 CA THR C 377 15.636 1.893 3.886 1.00 0.00 C ATOM 738 C THR C 377 16.921 2.363 4.552 1.00 0.00 C ATOM 739 O THR C 377 16.897 2.881 5.667 1.00 0.00 O ATOM 740 CB THR C 377 15.756 0.407 3.550 1.00 0.00 C ATOM 741 OG1 THR C 377 14.530 -0.049 3.000 1.00 0.00 O ATOM 742 CG2 THR C 377 16.079 -0.389 4.818 1.00 0.00 C ATOM 0 H THR C 377 15.935 2.392 1.861 1.00 0.00 H new ATOM 0 HA THR C 377 14.811 2.058 4.580 1.00 0.00 H new ATOM 0 HB THR C 377 16.558 0.263 2.826 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.695 -0.838 2.443 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.163 -1.447 4.572 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.022 -0.038 5.238 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.282 -0.249 5.548 1.00 0.00 H new ATOM 750 N CYS C 378 18.040 2.161 3.874 1.00 0.00 N ATOM 751 CA CYS C 378 19.327 2.553 4.430 1.00 0.00 C ATOM 752 C CYS C 378 19.380 4.060 4.660 1.00 0.00 C ATOM 753 O CYS C 378 20.150 4.540 5.490 1.00 0.00 O ATOM 754 CB CYS C 378 20.466 2.127 3.498 1.00 0.00 C ATOM 755 SG CYS C 378 20.350 0.349 3.165 1.00 0.00 S ATOM 0 H CYS C 378 18.085 1.733 2.949 1.00 0.00 H new ATOM 0 HA CYS C 378 19.448 2.050 5.389 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.413 2.686 2.564 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.428 2.359 3.954 1.00 0.00 H new ATOM 760 N ARG C 379 18.559 4.803 3.920 1.00 0.00 N ATOM 761 CA ARG C 379 18.530 6.258 4.060 1.00 0.00 C ATOM 762 C ARG C 379 19.871 6.865 3.654 1.00 0.00 C ATOM 763 O ARG C 379 20.199 7.985 4.044 1.00 0.00 O ATOM 764 CB ARG C 379 18.207 6.636 5.514 1.00 0.00 C ATOM 765 CG ARG C 379 17.618 8.061 5.571 1.00 0.00 C ATOM 766 CD ARG C 379 16.095 8.006 5.403 1.00 0.00 C ATOM 767 NE ARG C 379 15.483 7.370 6.568 1.00 0.00 N ATOM 768 CZ ARG C 379 15.227 8.062 7.674 1.00 0.00 C ATOM 769 NH1 ARG C 379 15.502 9.336 7.724 1.00 0.00 N ATOM 770 NH2 ARG C 379 14.698 7.468 8.707 1.00 0.00 N ATOM 0 H ARG C 379 17.913 4.428 3.226 1.00 0.00 H new ATOM 0 HA ARG C 379 17.756 6.654 3.402 1.00 0.00 H new ATOM 0 HB2 ARG C 379 17.497 5.923 5.935 1.00 0.00 H new ATOM 0 HB3 ARG C 379 19.110 6.583 6.122 1.00 0.00 H new ATOM 0 HG2 ARG C 379 17.871 8.530 6.522 1.00 0.00 H new ATOM 0 HG3 ARG C 379 18.057 8.676 4.786 1.00 0.00 H new ATOM 0 HD2 ARG C 379 15.699 9.014 5.279 1.00 0.00 H new ATOM 0 HD3 ARG C 379 15.841 7.450 4.500 1.00 0.00 H new ATOM 0 HE ARG C 379 15.248 6.378 6.532 1.00 0.00 H new ATOM 0 HH11 ARG C 379 15.913 9.801 6.915 1.00 0.00 H new ATOM 0 HH12 ARG C 379 15.306 9.867 8.572 1.00 0.00 H new ATOM 0 HH21 ARG C 379 14.481 6.472 8.667 1.00 0.00 H new ATOM 0 HH22 ARG C 379 14.502 7.999 9.555 1.00 0.00 H new ATOM 784 N MET C 380 20.644 6.116 2.869 1.00 0.00 N ATOM 785 CA MET C 380 21.952 6.580 2.411 1.00 0.00 C ATOM 786 C MET C 380 21.876 7.071 0.970 1.00 0.00 C ATOM 787 O MET C 380 21.287 6.414 0.109 1.00 0.00 O ATOM 788 CB MET C 380 22.968 5.440 2.501 1.00 0.00 C ATOM 789 CG MET C 380 24.380 5.990 2.289 1.00 0.00 C ATOM 790 SD MET C 380 24.857 6.996 3.718 1.00 0.00 S ATOM 791 CE MET C 380 25.614 5.667 4.687 1.00 0.00 C ATOM 0 H MET C 380 20.387 5.186 2.537 1.00 0.00 H new ATOM 0 HA MET C 380 22.265 7.406 3.050 1.00 0.00 H new ATOM 0 HB2 MET C 380 22.899 4.954 3.474 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.746 4.682 1.750 1.00 0.00 H new ATOM 0 HG2 MET C 380 25.085 5.170 2.157 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.415 6.590 1.380 1.00 0.00 H new ATOM 0 HE1 MET C 380 25.985 6.070 5.630 1.00 0.00 H new ATOM 0 HE2 MET C 380 24.871 4.896 4.889 1.00 0.00 H new ATOM 0 HE3 MET C 380 26.443 5.234 4.126 1.00 0.00 H new ATOM 801 N SER C 381 22.482 8.221 0.717 1.00 0.00 N ATOM 802 CA SER C 381 22.492 8.792 -0.616 1.00 0.00 C ATOM 803 C SER C 381 23.153 7.822 -1.597 1.00 0.00 C ATOM 804 O SER C 381 24.244 7.310 -1.343 1.00 0.00 O ATOM 805 CB SER C 381 23.245 10.132 -0.594 1.00 0.00 C ATOM 806 OG SER C 381 24.009 10.255 -1.779 1.00 0.00 O ATOM 0 H SER C 381 22.973 8.775 1.419 1.00 0.00 H new ATOM 0 HA SER C 381 21.467 8.967 -0.943 1.00 0.00 H new ATOM 0 HB2 SER C 381 22.539 10.959 -0.515 1.00 0.00 H new ATOM 0 HB3 SER C 381 23.895 10.183 0.279 1.00 0.00 H new ATOM 0 HG SER C 381 24.490 11.109 -1.771 1.00 0.00 H new ATOM 812 N LEU C 382 22.478 7.574 -2.719 1.00 0.00 N ATOM 813 CA LEU C 382 22.993 6.661 -3.741 1.00 0.00 C ATOM 814 C LEU C 382 23.669 7.455 -4.853 1.00 0.00 C ATOM 815 O LEU C 382 23.199 8.525 -5.237 1.00 0.00 O ATOM 816 CB LEU C 382 21.840 5.829 -4.324 1.00 0.00 C ATOM 817 CG LEU C 382 20.737 6.760 -4.899 1.00 0.00 C ATOM 818 CD1 LEU C 382 20.863 6.842 -6.425 1.00 0.00 C ATOM 819 CD2 LEU C 382 19.345 6.212 -4.549 1.00 0.00 C ATOM 0 H LEU C 382 21.575 7.991 -2.944 1.00 0.00 H new ATOM 0 HA LEU C 382 23.723 5.992 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU C 382 22.217 5.173 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU C 382 21.417 5.189 -3.550 1.00 0.00 H new ATOM 0 HG LEU C 382 20.862 7.751 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU C 382 20.086 7.497 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU C 382 21.842 7.242 -6.688 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.750 5.846 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU C 382 18.581 6.873 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU C 382 19.229 5.216 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU C 382 19.237 6.158 -3.466 1.00 0.00 H new ATOM 831 N ASN C 383 24.776 6.928 -5.362 1.00 0.00 N ATOM 832 CA ASN C 383 25.512 7.604 -6.425 1.00 0.00 C ATOM 833 C ASN C 383 24.622 7.816 -7.646 1.00 0.00 C ATOM 834 O ASN C 383 24.020 6.875 -8.160 1.00 0.00 O ATOM 835 CB ASN C 383 26.737 6.777 -6.819 1.00 0.00 C ATOM 836 CG ASN C 383 27.561 7.527 -7.858 1.00 0.00 C ATOM 837 OD1 ASN C 383 27.530 7.187 -9.040 1.00 0.00 O ATOM 838 ND2 ASN C 383 28.300 8.537 -7.484 1.00 0.00 N ATOM 0 H ASN C 383 25.182 6.042 -5.060 1.00 0.00 H new ATOM 0 HA ASN C 383 25.835 8.577 -6.055 1.00 0.00 H new ATOM 0 HB2 ASN C 383 27.346 6.572 -5.939 1.00 0.00 H new ATOM 0 HB3 ASN C 383 26.422 5.813 -7.219 1.00 0.00 H new ATOM 0 HD21 ASN C 383 28.854 9.046 -8.173 1.00 0.00 H new ATOM 0 HD22 ASN C 383 28.323 8.816 -6.503 1.00 0.00 H new ATOM 845 N ILE C 384 24.544 9.062 -8.104 1.00 0.00 N ATOM 846 CA ILE C 384 23.725 9.389 -9.263 1.00 0.00 C ATOM 847 C ILE C 384 24.182 8.600 -10.487 1.00 0.00 C ATOM 848 O ILE C 384 25.318 8.155 -10.491 1.00 0.00 O ATOM 849 CB ILE C 384 23.803 10.892 -9.553 1.00 0.00 C ATOM 850 CG1 ILE C 384 25.266 11.307 -9.735 1.00 0.00 C ATOM 851 CG2 ILE C 384 23.196 11.665 -8.380 1.00 0.00 C ATOM 852 CD1 ILE C 384 25.332 12.762 -10.206 1.00 0.00 C ATOM 0 H ILE C 384 25.035 9.856 -7.693 1.00 0.00 H new ATOM 0 HA ILE C 384 22.692 9.118 -9.042 1.00 0.00 H new ATOM 0 HB ILE C 384 23.250 11.115 -10.465 1.00 0.00 H new ATOM 0 HG12 ILE C 384 25.806 11.194 -8.795 1.00 0.00 H new ATOM 0 HG13 ILE C 384 25.751 10.656 -10.462 1.00 0.00 H new ATOM 0 HG21 ILE C 384 23.250 12.735 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE C 384 22.154 11.372 -8.251 1.00 0.00 H new ATOM 0 HG23 ILE C 384 23.751 11.440 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE C 384 26.374 13.056 -10.335 1.00 0.00 H new ATOM 0 HD12 ILE C 384 24.807 12.861 -11.156 1.00 0.00 H new ATOM 0 HD13 ILE C 384 24.863 13.407 -9.463 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 7.425 -1.764 -7.420 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.154 0.216 1.144 1.00 0.00 ZN