USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 400 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 356 CYS SG : rot 136:sc= -0.764! USER MOD Set 1.2: C 358 HIS : no HE2:sc= -2.46! X(o=-2.6!,f=-2.6) USER MOD Set 1.3: C 375 CYS SG : rot 150:sc= 0.435 USER MOD Set 1.4: C 378 CYS SG : rot 154:sc= 0.187 USER MOD Set 2.1: C 341 CYS SG : rot 177:sc= -1.2! USER MOD Set 2.2: C 344 CYS SG : rot -138:sc= -4.31! USER MOD Set 2.3: C 361 HIS : no HD1:sc= -1.98 K(o=-9.2,f=-8.7) USER MOD Set 2.4: C 364 CYS SG : rot -121:sc= -1.73! USER MOD Single : C 330 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : C 337 ASN : amide:sc= -2.49! C(o=-2.5!,f=-5!) USER MOD Single : C 338 ASN : amide:sc= -2.48! C(o=-2.5!,f=-6.7!) USER MOD Single : C 347 SER OG : rot 180:sc= 0 USER MOD Single : C 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 349 GLN : amide:sc= -3.06! K(o=-3.1!,f=-1.5) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 362 ASN : amide:sc= -2.43! C(o=-2.4!,f=-13!) 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 K(o=0,f=-1.5!) USER MOD Single : C 373 THR OG1 : rot 63:sc= 0.178 USER MOD Single : C 374 SER OG : rot 180:sc= 0 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 15.624 0.696 -16.885 1.00 0.00 N ATOM 2 CA ALA C 327 16.763 -0.113 -17.399 1.00 0.00 C ATOM 3 C ALA C 327 16.986 -1.307 -16.478 1.00 0.00 C ATOM 4 O ALA C 327 17.573 -1.175 -15.404 1.00 0.00 O ATOM 5 CB ALA C 327 18.026 0.751 -17.437 1.00 0.00 C ATOM 0 HA ALA C 327 16.539 -0.466 -18.405 1.00 0.00 H new ATOM 0 HB1 ALA C 327 18.860 0.159 -17.813 1.00 0.00 H new ATOM 0 HB2 ALA C 327 17.862 1.606 -18.093 1.00 0.00 H new ATOM 0 HB3 ALA C 327 18.256 1.104 -16.432 1.00 0.00 H new ATOM 11 N VAL C 328 16.512 -2.478 -16.905 1.00 0.00 N ATOM 12 CA VAL C 328 16.662 -3.699 -16.112 1.00 0.00 C ATOM 13 C VAL C 328 17.735 -4.593 -16.717 1.00 0.00 C ATOM 14 O VAL C 328 17.575 -5.112 -17.823 1.00 0.00 O ATOM 15 CB VAL C 328 15.334 -4.455 -16.065 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.520 -5.759 -15.279 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.274 -3.582 -15.380 1.00 0.00 C ATOM 0 H VAL C 328 16.023 -2.607 -17.791 1.00 0.00 H new ATOM 0 HA VAL C 328 16.958 -3.423 -15.100 1.00 0.00 H new ATOM 0 HB VAL C 328 15.007 -4.688 -17.078 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.575 -6.301 -15.244 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.273 -6.375 -15.770 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.845 -5.529 -14.264 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.326 -4.120 -15.346 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.596 -3.348 -14.365 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.146 -2.657 -15.942 1.00 0.00 H new ATOM 27 N ALA C 329 18.830 -4.771 -15.984 1.00 0.00 N ATOM 28 CA ALA C 329 19.931 -5.610 -16.450 1.00 0.00 C ATOM 29 C ALA C 329 19.796 -7.015 -15.890 1.00 0.00 C ATOM 30 O ALA C 329 20.412 -7.955 -16.390 1.00 0.00 O ATOM 31 CB ALA C 329 21.267 -5.013 -16.003 1.00 0.00 C ATOM 0 H ALA C 329 18.979 -4.348 -15.068 1.00 0.00 H new ATOM 0 HA ALA C 329 19.897 -5.654 -17.539 1.00 0.00 H new ATOM 0 HB1 ALA C 329 22.083 -5.644 -16.354 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.376 -4.012 -16.421 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.294 -4.957 -14.915 1.00 0.00 H new ATOM 37 N THR C 330 18.988 -7.156 -14.842 1.00 0.00 N ATOM 38 CA THR C 330 18.793 -8.462 -14.222 1.00 0.00 C ATOM 39 C THR C 330 17.734 -9.268 -14.980 1.00 0.00 C ATOM 40 O THR C 330 16.806 -8.698 -15.550 1.00 0.00 O ATOM 41 CB THR C 330 18.350 -8.287 -12.764 1.00 0.00 C ATOM 42 OG1 THR C 330 17.300 -7.331 -12.703 1.00 0.00 O ATOM 43 CG2 THR C 330 19.532 -7.808 -11.920 1.00 0.00 C ATOM 0 H THR C 330 18.465 -6.394 -14.410 1.00 0.00 H new ATOM 0 HA THR C 330 19.739 -9.002 -14.256 1.00 0.00 H new ATOM 0 HB THR C 330 17.996 -9.242 -12.374 1.00 0.00 H new ATOM 0 HG1 THR C 330 17.014 -7.218 -11.773 1.00 0.00 H new ATOM 0 HG21 THR C 330 19.214 -7.685 -10.885 1.00 0.00 H new ATOM 0 HG22 THR C 330 20.335 -8.544 -11.968 1.00 0.00 H new ATOM 0 HG23 THR C 330 19.891 -6.854 -12.305 1.00 0.00 H new ATOM 51 N PRO C 331 17.854 -10.575 -14.986 1.00 0.00 N ATOM 52 CA PRO C 331 16.875 -11.468 -15.681 1.00 0.00 C ATOM 53 C PRO C 331 15.480 -11.390 -15.059 1.00 0.00 C ATOM 54 O PRO C 331 15.331 -11.074 -13.879 1.00 0.00 O ATOM 55 CB PRO C 331 17.483 -12.873 -15.520 1.00 0.00 C ATOM 56 CG PRO C 331 18.389 -12.772 -14.336 1.00 0.00 C ATOM 57 CD PRO C 331 18.930 -11.351 -14.340 1.00 0.00 C ATOM 0 HA PRO C 331 16.729 -11.185 -16.723 1.00 0.00 H new ATOM 0 HB2 PRO C 331 16.708 -13.622 -15.360 1.00 0.00 H new ATOM 0 HB3 PRO C 331 18.033 -13.169 -16.413 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.849 -12.981 -13.413 1.00 0.00 H new ATOM 0 HG3 PRO C 331 19.199 -13.498 -14.402 1.00 0.00 H new ATOM 0 HD2 PRO C 331 19.131 -10.995 -13.329 1.00 0.00 H new ATOM 0 HD3 PRO C 331 19.865 -11.279 -14.895 1.00 0.00 H new ATOM 65 N GLU C 332 14.464 -11.686 -15.864 1.00 0.00 N ATOM 66 CA GLU C 332 13.084 -11.658 -15.386 1.00 0.00 C ATOM 67 C GLU C 332 12.866 -12.715 -14.311 1.00 0.00 C ATOM 68 O GLU C 332 11.901 -12.649 -13.550 1.00 0.00 O ATOM 69 CB GLU C 332 12.123 -11.900 -16.552 1.00 0.00 C ATOM 70 CG GLU C 332 10.686 -11.910 -16.036 1.00 0.00 C ATOM 71 CD GLU C 332 9.709 -11.930 -17.206 1.00 0.00 C ATOM 72 OE1 GLU C 332 10.156 -12.138 -18.322 1.00 0.00 O ATOM 73 OE2 GLU C 332 8.528 -11.738 -16.968 1.00 0.00 O ATOM 0 H GLU C 332 14.568 -11.947 -16.845 1.00 0.00 H new ATOM 0 HA GLU C 332 12.888 -10.677 -14.954 1.00 0.00 H new ATOM 0 HB2 GLU C 332 12.245 -11.121 -17.305 1.00 0.00 H new ATOM 0 HB3 GLU C 332 12.353 -12.849 -17.036 1.00 0.00 H new ATOM 0 HG2 GLU C 332 10.525 -12.782 -15.403 1.00 0.00 H new ATOM 0 HG3 GLU C 332 10.507 -11.030 -15.418 1.00 0.00 H new ATOM 80 N GLU C 333 13.766 -13.685 -14.250 1.00 0.00 N ATOM 81 CA GLU C 333 13.654 -14.748 -13.262 1.00 0.00 C ATOM 82 C GLU C 333 13.580 -14.165 -11.855 1.00 0.00 C ATOM 83 O GLU C 333 12.852 -14.666 -11.001 1.00 0.00 O ATOM 84 CB GLU C 333 14.846 -15.705 -13.395 1.00 0.00 C ATOM 85 CG GLU C 333 16.069 -15.130 -12.688 1.00 0.00 C ATOM 86 CD GLU C 333 16.042 -15.448 -11.192 1.00 0.00 C ATOM 87 OE1 GLU C 333 15.630 -16.542 -10.844 1.00 0.00 O ATOM 88 OE2 GLU C 333 16.429 -14.588 -10.419 1.00 0.00 O ATOM 0 H GLU C 333 14.575 -13.759 -14.867 1.00 0.00 H new ATOM 0 HA GLU C 333 12.735 -15.306 -13.442 1.00 0.00 H new ATOM 0 HB2 GLU C 333 14.592 -16.674 -12.966 1.00 0.00 H new ATOM 0 HB3 GLU C 333 15.071 -15.872 -14.448 1.00 0.00 H new ATOM 0 HG2 GLU C 333 16.976 -15.539 -13.133 1.00 0.00 H new ATOM 0 HG3 GLU C 333 16.102 -14.050 -12.833 1.00 0.00 H new ATOM 95 N LEU C 334 14.364 -13.117 -11.618 1.00 0.00 N ATOM 96 CA LEU C 334 14.396 -12.485 -10.311 1.00 0.00 C ATOM 97 C LEU C 334 13.084 -11.786 -10.011 1.00 0.00 C ATOM 98 O LEU C 334 12.551 -11.893 -8.908 1.00 0.00 O ATOM 99 CB LEU C 334 15.554 -11.477 -10.249 1.00 0.00 C ATOM 100 CG LEU C 334 15.525 -10.723 -8.909 1.00 0.00 C ATOM 101 CD1 LEU C 334 15.560 -11.725 -7.743 1.00 0.00 C ATOM 102 CD2 LEU C 334 16.742 -9.794 -8.825 1.00 0.00 C ATOM 0 H LEU C 334 14.980 -12.693 -12.311 1.00 0.00 H new ATOM 0 HA LEU C 334 14.548 -13.259 -9.559 1.00 0.00 H new ATOM 0 HB2 LEU C 334 16.505 -11.997 -10.363 1.00 0.00 H new ATOM 0 HB3 LEU C 334 15.476 -10.770 -11.075 1.00 0.00 H new ATOM 0 HG LEU C 334 14.609 -10.135 -8.845 1.00 0.00 H new ATOM 0 HD11 LEU C 334 15.539 -11.184 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU C 334 14.694 -12.384 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU C 334 16.472 -12.319 -7.801 1.00 0.00 H new ATOM 0 HD21 LEU C 334 16.725 -9.257 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU C 334 17.656 -10.384 -8.892 1.00 0.00 H new ATOM 0 HD23 LEU C 334 16.711 -9.079 -9.647 1.00 0.00 H new ATOM 114 N ALA C 335 12.578 -11.058 -10.992 1.00 0.00 N ATOM 115 CA ALA C 335 11.335 -10.330 -10.812 1.00 0.00 C ATOM 116 C ALA C 335 10.196 -11.285 -10.487 1.00 0.00 C ATOM 117 O ALA C 335 9.455 -11.084 -9.524 1.00 0.00 O ATOM 118 CB ALA C 335 11.007 -9.544 -12.085 1.00 0.00 C ATOM 0 H ALA C 335 13.004 -10.956 -11.913 1.00 0.00 H new ATOM 0 HA ALA C 335 11.455 -9.638 -9.979 1.00 0.00 H new ATOM 0 HB1 ALA C 335 10.073 -8.999 -11.946 1.00 0.00 H new ATOM 0 HB2 ALA C 335 11.811 -8.839 -12.294 1.00 0.00 H new ATOM 0 HB3 ALA C 335 10.903 -10.234 -12.922 1.00 0.00 H new ATOM 124 N VAL C 336 10.074 -12.337 -11.287 1.00 0.00 N ATOM 125 CA VAL C 336 9.017 -13.320 -11.080 1.00 0.00 C ATOM 126 C VAL C 336 9.158 -13.971 -9.713 1.00 0.00 C ATOM 127 O VAL C 336 8.177 -14.134 -8.989 1.00 0.00 O ATOM 128 CB VAL C 336 9.079 -14.386 -12.182 1.00 0.00 C ATOM 129 CG1 VAL C 336 8.046 -15.481 -11.893 1.00 0.00 C ATOM 130 CG2 VAL C 336 8.788 -13.737 -13.548 1.00 0.00 C ATOM 0 H VAL C 336 10.688 -12.531 -12.078 1.00 0.00 H new ATOM 0 HA VAL C 336 8.052 -12.815 -11.124 1.00 0.00 H new ATOM 0 HB VAL C 336 10.075 -14.829 -12.204 1.00 0.00 H new ATOM 0 HG11 VAL C 336 8.090 -16.238 -12.676 1.00 0.00 H new ATOM 0 HG12 VAL C 336 8.264 -15.942 -10.930 1.00 0.00 H new ATOM 0 HG13 VAL C 336 7.048 -15.043 -11.868 1.00 0.00 H new ATOM 0 HG21 VAL C 336 8.833 -14.496 -14.329 1.00 0.00 H new ATOM 0 HG22 VAL C 336 7.794 -13.289 -13.534 1.00 0.00 H new ATOM 0 HG23 VAL C 336 9.531 -12.965 -13.750 1.00 0.00 H new ATOM 140 N ASN C 337 10.382 -14.338 -9.365 1.00 0.00 N ATOM 141 CA ASN C 337 10.639 -14.967 -8.078 1.00 0.00 C ATOM 142 C ASN C 337 10.289 -14.010 -6.946 1.00 0.00 C ATOM 143 O ASN C 337 9.784 -14.426 -5.901 1.00 0.00 O ATOM 144 CB ASN C 337 12.106 -15.381 -7.976 1.00 0.00 C ATOM 145 CG ASN C 337 12.368 -16.054 -6.632 1.00 0.00 C ATOM 146 OD1 ASN C 337 11.876 -15.600 -5.600 1.00 0.00 O ATOM 147 ND2 ASN C 337 13.111 -17.126 -6.586 1.00 0.00 N ATOM 0 H ASN C 337 11.208 -14.213 -9.951 1.00 0.00 H new ATOM 0 HA ASN C 337 10.015 -15.857 -7.994 1.00 0.00 H new ATOM 0 HB2 ASN C 337 12.357 -16.063 -8.788 1.00 0.00 H new ATOM 0 HB3 ASN C 337 12.747 -14.506 -8.085 1.00 0.00 H new ATOM 0 HD21 ASN C 337 13.284 -17.588 -5.694 1.00 0.00 H new ATOM 0 HD22 ASN C 337 13.518 -17.501 -7.443 1.00 0.00 H new ATOM 154 N ASN C 338 10.574 -12.721 -7.151 1.00 0.00 N ATOM 155 CA ASN C 338 10.292 -11.703 -6.134 1.00 0.00 C ATOM 156 C ASN C 338 9.236 -10.730 -6.636 1.00 0.00 C ATOM 157 O ASN C 338 9.497 -9.536 -6.789 1.00 0.00 O ATOM 158 CB ASN C 338 11.575 -10.941 -5.798 1.00 0.00 C ATOM 159 CG ASN C 338 11.305 -9.934 -4.685 1.00 0.00 C ATOM 160 OD1 ASN C 338 10.161 -9.526 -4.482 1.00 0.00 O ATOM 161 ND2 ASN C 338 12.292 -9.509 -3.947 1.00 0.00 N ATOM 0 H ASN C 338 10.997 -12.359 -8.006 1.00 0.00 H new ATOM 0 HA ASN C 338 9.917 -12.197 -5.238 1.00 0.00 H new ATOM 0 HB2 ASN C 338 12.352 -11.639 -5.488 1.00 0.00 H new ATOM 0 HB3 ASN C 338 11.945 -10.426 -6.684 1.00 0.00 H new ATOM 0 HD21 ASN C 338 12.117 -8.837 -3.200 1.00 0.00 H new ATOM 0 HD22 ASN C 338 13.239 -9.848 -4.117 1.00 0.00 H new ATOM 168 N ASP C 339 8.037 -11.245 -6.886 1.00 0.00 N ATOM 169 CA ASP C 339 6.943 -10.413 -7.370 1.00 0.00 C ATOM 170 C ASP C 339 6.313 -9.639 -6.218 1.00 0.00 C ATOM 171 O ASP C 339 5.174 -9.899 -5.832 1.00 0.00 O ATOM 172 CB ASP C 339 5.884 -11.287 -8.043 1.00 0.00 C ATOM 173 CG ASP C 339 5.346 -12.312 -7.050 1.00 0.00 C ATOM 174 OD1 ASP C 339 5.840 -12.342 -5.934 1.00 0.00 O ATOM 175 OD2 ASP C 339 4.460 -13.061 -7.422 1.00 0.00 O ATOM 0 H ASP C 339 7.799 -12.229 -6.762 1.00 0.00 H new ATOM 0 HA ASP C 339 7.340 -9.703 -8.095 1.00 0.00 H new ATOM 0 HB2 ASP C 339 5.069 -10.665 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP C 339 6.315 -11.795 -8.906 1.00 0.00 H new ATOM 180 N ASP C 340 7.063 -8.686 -5.678 1.00 0.00 N ATOM 181 CA ASP C 340 6.572 -7.874 -4.572 1.00 0.00 C ATOM 182 C ASP C 340 7.395 -6.598 -4.447 1.00 0.00 C ATOM 183 O ASP C 340 8.626 -6.639 -4.439 1.00 0.00 O ATOM 184 CB ASP C 340 6.648 -8.665 -3.265 1.00 0.00 C ATOM 185 CG ASP C 340 6.025 -7.860 -2.131 1.00 0.00 C ATOM 186 OD1 ASP C 340 5.696 -6.707 -2.360 1.00 0.00 O ATOM 187 OD2 ASP C 340 5.883 -8.408 -1.050 1.00 0.00 O ATOM 0 H ASP C 340 8.008 -8.457 -5.986 1.00 0.00 H new ATOM 0 HA ASP C 340 5.534 -7.609 -4.771 1.00 0.00 H new ATOM 0 HB2 ASP C 340 6.127 -9.616 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP C 340 7.687 -8.896 -3.030 1.00 0.00 H new ATOM 192 N CYS C 341 6.708 -5.463 -4.348 1.00 0.00 N ATOM 193 CA CYS C 341 7.378 -4.167 -4.222 1.00 0.00 C ATOM 194 C CYS C 341 7.297 -3.651 -2.787 1.00 0.00 C ATOM 195 O CYS C 341 6.288 -3.834 -2.110 1.00 0.00 O ATOM 196 CB CYS C 341 6.729 -3.148 -5.170 1.00 0.00 C ATOM 197 SG CYS C 341 7.954 -1.907 -5.656 1.00 0.00 S ATOM 0 H CYS C 341 5.689 -5.412 -4.352 1.00 0.00 H new ATOM 0 HA CYS C 341 8.427 -4.298 -4.488 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.339 -3.654 -6.053 1.00 0.00 H new ATOM 0 HB3 CYS C 341 5.883 -2.666 -4.679 1.00 0.00 H new ATOM 0 HG CYS C 341 7.421 -1.081 -6.507 1.00 0.00 H new ATOM 202 N ALA C 342 8.365 -3.003 -2.333 1.00 0.00 N ATOM 203 CA ALA C 342 8.397 -2.451 -0.980 1.00 0.00 C ATOM 204 C ALA C 342 7.972 -0.982 -1.005 1.00 0.00 C ATOM 205 O ALA C 342 7.542 -0.432 0.009 1.00 0.00 O ATOM 206 CB ALA C 342 9.810 -2.586 -0.398 1.00 0.00 C ATOM 0 H ALA C 342 9.214 -2.847 -2.876 1.00 0.00 H new ATOM 0 HA ALA C 342 7.701 -3.005 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA C 342 9.829 -2.173 0.611 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.091 -3.639 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.516 -2.042 -1.026 1.00 0.00 H new ATOM 212 N ILE C 343 8.109 -0.349 -2.169 1.00 0.00 N ATOM 213 CA ILE C 343 7.741 1.058 -2.318 1.00 0.00 C ATOM 214 C ILE C 343 6.298 1.206 -2.786 1.00 0.00 C ATOM 215 O ILE C 343 5.434 1.658 -2.036 1.00 0.00 O ATOM 216 CB ILE C 343 8.675 1.736 -3.321 1.00 0.00 C ATOM 217 CG1 ILE C 343 10.098 1.750 -2.761 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.216 3.177 -3.561 1.00 0.00 C ATOM 219 CD1 ILE C 343 11.084 2.164 -3.857 1.00 0.00 C ATOM 0 H ILE C 343 8.470 -0.785 -3.018 1.00 0.00 H new ATOM 0 HA ILE C 343 7.836 1.536 -1.343 1.00 0.00 H new ATOM 0 HB ILE C 343 8.653 1.185 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.161 2.443 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.358 0.763 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.884 3.657 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE C 343 7.201 3.174 -3.958 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.236 3.727 -2.620 1.00 0.00 H new ATOM 0 HD11 ILE C 343 12.096 2.172 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE C 343 11.029 1.454 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.830 3.161 -4.218 1.00 0.00 H new ATOM 231 N CYS C 344 6.048 0.835 -4.037 1.00 0.00 N ATOM 232 CA CYS C 344 4.708 0.941 -4.605 1.00 0.00 C ATOM 233 C CYS C 344 3.791 -0.126 -4.023 1.00 0.00 C ATOM 234 O CYS C 344 2.598 -0.165 -4.324 1.00 0.00 O ATOM 235 CB CYS C 344 4.774 0.799 -6.129 1.00 0.00 C ATOM 236 SG CYS C 344 5.243 -0.893 -6.570 1.00 0.00 S ATOM 0 H CYS C 344 6.751 0.460 -4.674 1.00 0.00 H new ATOM 0 HA CYS C 344 4.302 1.921 -4.353 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.807 1.044 -6.568 1.00 0.00 H new ATOM 0 HB3 CYS C 344 5.497 1.505 -6.538 1.00 0.00 H new ATOM 0 HG CYS C 344 6.104 -0.865 -7.544 1.00 0.00 H new ATOM 241 N TRP C 345 4.354 -0.993 -3.191 1.00 0.00 N ATOM 242 CA TRP C 345 3.574 -2.060 -2.574 1.00 0.00 C ATOM 243 C TRP C 345 2.671 -2.730 -3.604 1.00 0.00 C ATOM 244 O TRP C 345 1.446 -2.656 -3.512 1.00 0.00 O ATOM 245 CB TRP C 345 2.722 -1.493 -1.437 1.00 0.00 C ATOM 246 CG TRP C 345 2.151 -2.617 -0.633 1.00 0.00 C ATOM 247 CD1 TRP C 345 0.860 -3.020 -0.667 1.00 0.00 C ATOM 248 CD2 TRP C 345 2.828 -3.487 0.320 1.00 0.00 C ATOM 249 NE1 TRP C 345 0.700 -4.081 0.203 1.00 0.00 N ATOM 250 CE2 TRP C 345 1.884 -4.407 0.837 1.00 0.00 C ATOM 251 CE3 TRP C 345 4.153 -3.566 0.783 1.00 0.00 C ATOM 252 CZ2 TRP C 345 2.245 -5.371 1.779 1.00 0.00 C ATOM 253 CZ3 TRP C 345 4.520 -4.536 1.730 1.00 0.00 C ATOM 254 CH2 TRP C 345 3.567 -5.436 2.228 1.00 0.00 C ATOM 0 H TRP C 345 5.340 -0.980 -2.929 1.00 0.00 H new ATOM 0 HA TRP C 345 4.264 -2.804 -2.175 1.00 0.00 H new ATOM 0 HB2 TRP C 345 3.328 -0.848 -0.801 1.00 0.00 H new ATOM 0 HB3 TRP C 345 1.919 -0.877 -1.842 1.00 0.00 H new ATOM 0 HD1 TRP C 345 0.082 -2.583 -1.275 1.00 0.00 H new ATOM 0 HE1 TRP C 345 -0.184 -4.565 0.359 1.00 0.00 H new ATOM 0 HE3 TRP C 345 4.894 -2.876 0.408 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 1.508 -6.063 2.159 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 5.542 -4.589 2.076 1.00 0.00 H new ATOM 0 HH2 TRP C 345 3.854 -6.179 2.958 1.00 0.00 H new ATOM 265 N ASP C 346 3.284 -3.380 -4.587 1.00 0.00 N ATOM 266 CA ASP C 346 2.526 -4.057 -5.633 1.00 0.00 C ATOM 267 C ASP C 346 3.388 -5.116 -6.317 1.00 0.00 C ATOM 268 O ASP C 346 4.364 -5.601 -5.745 1.00 0.00 O ATOM 269 CB ASP C 346 2.040 -3.034 -6.666 1.00 0.00 C ATOM 270 CG ASP C 346 0.883 -3.611 -7.479 1.00 0.00 C ATOM 271 OD1 ASP C 346 0.058 -4.294 -6.895 1.00 0.00 O ATOM 272 OD2 ASP C 346 0.846 -3.370 -8.674 1.00 0.00 O ATOM 0 H ASP C 346 4.297 -3.453 -4.682 1.00 0.00 H new ATOM 0 HA ASP C 346 1.665 -4.549 -5.179 1.00 0.00 H new ATOM 0 HB2 ASP C 346 1.720 -2.122 -6.162 1.00 0.00 H new ATOM 0 HB3 ASP C 346 2.860 -2.760 -7.330 1.00 0.00 H new ATOM 277 N SER C 347 3.024 -5.469 -7.546 1.00 0.00 N ATOM 278 CA SER C 347 3.767 -6.469 -8.304 1.00 0.00 C ATOM 279 C SER C 347 3.626 -6.216 -9.800 1.00 0.00 C ATOM 280 O SER C 347 2.673 -5.574 -10.245 1.00 0.00 O ATOM 281 CB SER C 347 3.246 -7.866 -7.969 1.00 0.00 C ATOM 282 OG SER C 347 1.831 -7.884 -8.107 1.00 0.00 O ATOM 0 H SER C 347 2.220 -5.078 -8.037 1.00 0.00 H new ATOM 0 HA SER C 347 4.820 -6.399 -8.033 1.00 0.00 H new ATOM 0 HB2 SER C 347 3.697 -8.604 -8.632 1.00 0.00 H new ATOM 0 HB3 SER C 347 3.527 -8.138 -6.952 1.00 0.00 H new ATOM 0 HG SER C 347 1.493 -8.779 -7.895 1.00 0.00 H new ATOM 288 N MET C 348 4.578 -6.725 -10.573 1.00 0.00 N ATOM 289 CA MET C 348 4.550 -6.547 -12.017 1.00 0.00 C ATOM 290 C MET C 348 5.540 -7.497 -12.686 1.00 0.00 C ATOM 291 O MET C 348 5.559 -8.693 -12.395 1.00 0.00 O ATOM 292 CB MET C 348 4.889 -5.095 -12.377 1.00 0.00 C ATOM 293 CG MET C 348 4.389 -4.778 -13.791 1.00 0.00 C ATOM 294 SD MET C 348 2.601 -4.499 -13.738 1.00 0.00 S ATOM 295 CE MET C 348 2.546 -3.107 -14.893 1.00 0.00 C ATOM 0 H MET C 348 5.373 -7.261 -10.226 1.00 0.00 H new ATOM 0 HA MET C 348 3.547 -6.775 -12.377 1.00 0.00 H new ATOM 0 HB2 MET C 348 4.429 -4.416 -11.659 1.00 0.00 H new ATOM 0 HB3 MET C 348 5.966 -4.939 -12.319 1.00 0.00 H new ATOM 0 HG2 MET C 348 4.896 -3.895 -14.180 1.00 0.00 H new ATOM 0 HG3 MET C 348 4.621 -5.602 -14.466 1.00 0.00 H new ATOM 0 HE1 MET C 348 1.516 -2.771 -15.009 1.00 0.00 H new ATOM 0 HE2 MET C 348 3.153 -2.289 -14.506 1.00 0.00 H new ATOM 0 HE3 MET C 348 2.936 -3.422 -15.861 1.00 0.00 H new ATOM 305 N GLN C 349 6.361 -6.959 -13.587 1.00 0.00 N ATOM 306 CA GLN C 349 7.352 -7.762 -14.301 1.00 0.00 C ATOM 307 C GLN C 349 8.674 -7.008 -14.406 1.00 0.00 C ATOM 308 O GLN C 349 9.659 -7.533 -14.928 1.00 0.00 O ATOM 309 CB GLN C 349 6.838 -8.088 -15.706 1.00 0.00 C ATOM 310 CG GLN C 349 5.546 -8.904 -15.607 1.00 0.00 C ATOM 311 CD GLN C 349 5.821 -10.241 -14.926 1.00 0.00 C ATOM 312 OE1 GLN C 349 6.692 -10.992 -15.367 1.00 0.00 O ATOM 313 NE2 GLN C 349 5.135 -10.579 -13.870 1.00 0.00 N ATOM 0 H GLN C 349 6.359 -5.971 -13.840 1.00 0.00 H new ATOM 0 HA GLN C 349 7.516 -8.686 -13.747 1.00 0.00 H new ATOM 0 HB2 GLN C 349 6.656 -7.167 -16.260 1.00 0.00 H new ATOM 0 HB3 GLN C 349 7.592 -8.649 -16.258 1.00 0.00 H new ATOM 0 HG2 GLN C 349 4.797 -8.347 -15.043 1.00 0.00 H new ATOM 0 HG3 GLN C 349 5.136 -9.072 -16.603 1.00 0.00 H new ATOM 0 HE21 GLN C 349 4.415 -9.954 -13.508 1.00 0.00 H new ATOM 0 HE22 GLN C 349 5.319 -11.468 -13.406 1.00 0.00 H new ATOM 322 N ALA C 350 8.691 -5.774 -13.906 1.00 0.00 N ATOM 323 CA ALA C 350 9.905 -4.955 -13.943 1.00 0.00 C ATOM 324 C ALA C 350 10.647 -5.046 -12.615 1.00 0.00 C ATOM 325 O ALA C 350 10.033 -5.022 -11.547 1.00 0.00 O ATOM 326 CB ALA C 350 9.543 -3.497 -14.221 1.00 0.00 C ATOM 0 H ALA C 350 7.886 -5.321 -13.474 1.00 0.00 H new ATOM 0 HA ALA C 350 10.549 -5.329 -14.739 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.451 -2.895 -14.247 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.033 -3.426 -15.182 1.00 0.00 H new ATOM 0 HB3 ALA C 350 8.886 -3.129 -13.433 1.00 0.00 H new ATOM 332 N ALA C 351 11.971 -5.157 -12.686 1.00 0.00 N ATOM 333 CA ALA C 351 12.799 -5.256 -11.483 1.00 0.00 C ATOM 334 C ALA C 351 14.110 -4.509 -11.683 1.00 0.00 C ATOM 335 O ALA C 351 14.726 -4.584 -12.743 1.00 0.00 O ATOM 336 CB ALA C 351 13.093 -6.719 -11.190 1.00 0.00 C ATOM 0 H ALA C 351 12.494 -5.181 -13.561 1.00 0.00 H new ATOM 0 HA ALA C 351 12.261 -4.812 -10.646 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.710 -6.794 -10.294 1.00 0.00 H new ATOM 0 HB2 ALA C 351 12.156 -7.254 -11.032 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.624 -7.160 -12.034 1.00 0.00 H new ATOM 342 N ARG C 352 14.537 -3.792 -10.654 1.00 0.00 N ATOM 343 CA ARG C 352 15.773 -3.035 -10.713 1.00 0.00 C ATOM 344 C ARG C 352 16.486 -3.103 -9.367 1.00 0.00 C ATOM 345 O ARG C 352 15.845 -3.176 -8.325 1.00 0.00 O ATOM 346 CB ARG C 352 15.448 -1.577 -11.086 1.00 0.00 C ATOM 347 CG ARG C 352 16.288 -1.113 -12.267 1.00 0.00 C ATOM 348 CD ARG C 352 17.740 -0.971 -11.829 1.00 0.00 C ATOM 349 NE ARG C 352 18.552 -0.432 -12.917 1.00 0.00 N ATOM 350 CZ ARG C 352 19.847 -0.719 -13.028 1.00 0.00 C ATOM 351 NH1 ARG C 352 20.428 -1.494 -12.149 1.00 0.00 N ATOM 352 NH2 ARG C 352 20.538 -0.224 -14.014 1.00 0.00 N ATOM 0 H ARG C 352 14.041 -3.720 -9.765 1.00 0.00 H new ATOM 0 HA ARG C 352 16.434 -3.458 -11.469 1.00 0.00 H new ATOM 0 HB2 ARG C 352 14.390 -1.489 -11.332 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.632 -0.930 -10.229 1.00 0.00 H new ATOM 0 HG2 ARG C 352 16.212 -1.829 -13.085 1.00 0.00 H new ATOM 0 HG3 ARG C 352 15.914 -0.160 -12.641 1.00 0.00 H new ATOM 0 HD2 ARG C 352 17.802 -0.314 -10.961 1.00 0.00 H new ATOM 0 HD3 ARG C 352 18.130 -1.942 -11.522 1.00 0.00 H new ATOM 0 HE ARG C 352 18.116 0.179 -13.608 1.00 0.00 H new ATOM 0 HH11 ARG C 352 19.888 -1.881 -11.375 1.00 0.00 H new ATOM 0 HH12 ARG C 352 21.421 -1.711 -12.238 1.00 0.00 H new ATOM 0 HH21 ARG C 352 20.087 0.382 -14.699 1.00 0.00 H new ATOM 0 HH22 ARG C 352 21.531 -0.442 -14.101 1.00 0.00 H new ATOM 366 N LYS C 353 17.815 -3.081 -9.398 1.00 0.00 N ATOM 367 CA LYS C 353 18.611 -3.146 -8.178 1.00 0.00 C ATOM 368 C LYS C 353 19.324 -1.833 -7.924 1.00 0.00 C ATOM 369 O LYS C 353 20.013 -1.306 -8.795 1.00 0.00 O ATOM 370 CB LYS C 353 19.646 -4.257 -8.308 1.00 0.00 C ATOM 371 CG LYS C 353 20.456 -4.357 -7.013 1.00 0.00 C ATOM 372 CD LYS C 353 21.428 -5.525 -7.115 1.00 0.00 C ATOM 373 CE LYS C 353 22.220 -5.641 -5.811 1.00 0.00 C ATOM 374 NZ LYS C 353 23.152 -6.801 -5.897 1.00 0.00 N ATOM 0 H LYS C 353 18.363 -3.019 -10.256 1.00 0.00 H new ATOM 0 HA LYS C 353 17.942 -3.348 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.152 -5.206 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.309 -4.054 -9.149 1.00 0.00 H new ATOM 0 HG2 LYS C 353 21.001 -3.429 -6.839 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.788 -4.498 -6.163 1.00 0.00 H new ATOM 0 HD2 LYS C 353 20.884 -6.450 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS C 353 22.107 -5.375 -7.954 1.00 0.00 H new ATOM 0 HE2 LYS C 353 22.780 -4.724 -5.630 1.00 0.00 H new ATOM 0 HE3 LYS C 353 21.539 -5.770 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 23.690 -6.880 -5.011 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 22.607 -7.673 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 23.810 -6.660 -6.690 1.00 0.00 H new ATOM 388 N LEU C 354 19.164 -1.312 -6.712 1.00 0.00 N ATOM 389 CA LEU C 354 19.804 -0.062 -6.349 1.00 0.00 C ATOM 390 C LEU C 354 21.291 -0.282 -6.055 1.00 0.00 C ATOM 391 O LEU C 354 21.716 -1.401 -5.777 1.00 0.00 O ATOM 392 CB LEU C 354 19.136 0.537 -5.100 1.00 0.00 C ATOM 393 CG LEU C 354 17.906 1.366 -5.480 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.013 1.515 -4.243 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.318 2.762 -5.981 1.00 0.00 C ATOM 0 H LEU C 354 18.601 -1.734 -5.974 1.00 0.00 H new ATOM 0 HA LEU C 354 19.698 0.624 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.844 -0.263 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.851 1.164 -4.566 1.00 0.00 H new ATOM 0 HG LEU C 354 17.370 0.858 -6.281 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.132 2.104 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.702 0.529 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.569 2.018 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.427 3.332 -6.245 1.00 0.00 H new ATOM 0 HD22 LEU C 354 18.863 3.284 -5.195 1.00 0.00 H new ATOM 0 HD23 LEU C 354 18.956 2.660 -6.859 1.00 0.00 H new ATOM 407 N PRO C 355 22.082 0.768 -6.083 1.00 0.00 N ATOM 408 CA PRO C 355 23.542 0.689 -5.777 1.00 0.00 C ATOM 409 C PRO C 355 23.792 0.342 -4.304 1.00 0.00 C ATOM 410 O PRO C 355 24.894 -0.062 -3.928 1.00 0.00 O ATOM 411 CB PRO C 355 24.087 2.094 -6.127 1.00 0.00 C ATOM 412 CG PRO C 355 22.986 2.797 -6.868 1.00 0.00 C ATOM 413 CD PRO C 355 21.688 2.158 -6.394 1.00 0.00 C ATOM 0 HA PRO C 355 24.037 -0.099 -6.344 1.00 0.00 H new ATOM 0 HB2 PRO C 355 24.361 2.641 -5.225 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.985 2.022 -6.741 1.00 0.00 H new ATOM 0 HG2 PRO C 355 22.994 3.866 -6.657 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.106 2.684 -7.945 1.00 0.00 H new ATOM 0 HD2 PRO C 355 21.286 2.667 -5.518 1.00 0.00 H new ATOM 0 HD3 PRO C 355 20.918 2.194 -7.165 1.00 0.00 H new ATOM 421 N CYS C 356 22.764 0.526 -3.476 1.00 0.00 N ATOM 422 CA CYS C 356 22.880 0.244 -2.045 1.00 0.00 C ATOM 423 C CYS C 356 22.715 -1.250 -1.775 1.00 0.00 C ATOM 424 O CYS C 356 23.544 -1.861 -1.099 1.00 0.00 O ATOM 425 CB CYS C 356 21.818 1.057 -1.276 1.00 0.00 C ATOM 426 SG CYS C 356 21.435 0.267 0.314 1.00 0.00 S ATOM 0 H CYS C 356 21.848 0.866 -3.768 1.00 0.00 H new ATOM 0 HA CYS C 356 23.872 0.537 -1.702 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.181 2.071 -1.106 1.00 0.00 H new ATOM 0 HB3 CYS C 356 20.911 1.139 -1.875 1.00 0.00 H new ATOM 0 HG CYS C 356 21.380 1.172 1.246 1.00 0.00 H new ATOM 431 N GLY C 357 21.632 -1.828 -2.289 1.00 0.00 N ATOM 432 CA GLY C 357 21.355 -3.254 -2.089 1.00 0.00 C ATOM 433 C GLY C 357 19.861 -3.482 -1.899 1.00 0.00 C ATOM 434 O GLY C 357 19.438 -4.138 -0.943 1.00 0.00 O ATOM 0 H GLY C 357 20.933 -1.336 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.710 -3.824 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.899 -3.618 -1.217 1.00 0.00 H new ATOM 438 N HIS C 358 19.061 -2.971 -2.834 1.00 0.00 N ATOM 439 CA HIS C 358 17.611 -3.131 -2.766 1.00 0.00 C ATOM 440 C HIS C 358 17.043 -3.371 -4.159 1.00 0.00 C ATOM 441 O HIS C 358 17.552 -2.839 -5.140 1.00 0.00 O ATOM 442 CB HIS C 358 16.990 -1.863 -2.155 1.00 0.00 C ATOM 443 CG HIS C 358 16.955 -1.991 -0.652 1.00 0.00 C ATOM 444 ND1 HIS C 358 17.693 -1.165 0.202 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.281 -2.866 0.156 1.00 0.00 C ATOM 446 CE1 HIS C 358 17.434 -1.577 1.455 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.583 -2.604 1.483 1.00 0.00 N ATOM 0 H HIS C 358 19.391 -2.445 -3.643 1.00 0.00 H new ATOM 0 HA HIS C 358 17.371 -3.991 -2.141 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.571 -0.987 -2.442 1.00 0.00 H new ATOM 0 HB3 HIS C 358 15.981 -1.717 -2.541 1.00 0.00 H new ATOM 0 HD1 HIS C 358 18.308 -0.399 -0.073 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.615 -3.643 -0.188 1.00 0.00 H new ATOM 0 HE1 HIS C 358 17.865 -1.128 2.338 1.00 0.00 H new ATOM 455 N LEU C 359 15.984 -4.183 -4.239 1.00 0.00 N ATOM 456 CA LEU C 359 15.365 -4.497 -5.529 1.00 0.00 C ATOM 457 C LEU C 359 14.080 -3.711 -5.736 1.00 0.00 C ATOM 458 O LEU C 359 13.075 -3.977 -5.078 1.00 0.00 O ATOM 459 CB LEU C 359 15.018 -5.984 -5.562 1.00 0.00 C ATOM 460 CG LEU C 359 16.287 -6.815 -5.363 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.911 -8.296 -5.252 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.241 -6.609 -6.552 1.00 0.00 C ATOM 0 H LEU C 359 15.542 -4.630 -3.435 1.00 0.00 H new ATOM 0 HA LEU C 359 16.072 -4.233 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.294 -6.216 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.552 -6.237 -6.514 1.00 0.00 H new ATOM 0 HG LEU C 359 16.788 -6.496 -4.449 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.813 -8.891 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU C 359 15.244 -8.439 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.407 -8.613 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU C 359 18.142 -7.204 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.748 -6.922 -7.472 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.510 -5.555 -6.624 1.00 0.00 H new ATOM 474 N PHE C 360 14.117 -2.755 -6.674 1.00 0.00 N ATOM 475 CA PHE C 360 12.962 -1.898 -6.993 1.00 0.00 C ATOM 476 C PHE C 360 12.649 -1.967 -8.473 1.00 0.00 C ATOM 477 O PHE C 360 13.530 -2.143 -9.305 1.00 0.00 O ATOM 478 CB PHE C 360 13.317 -0.452 -6.599 1.00 0.00 C ATOM 479 CG PHE C 360 13.314 -0.267 -5.082 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.791 -1.235 -4.192 1.00 0.00 C ATOM 481 CD2 PHE C 360 13.967 0.846 -4.553 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.902 -1.058 -2.812 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.065 1.021 -3.170 1.00 0.00 C ATOM 484 CZ PHE C 360 13.541 0.068 -2.301 1.00 0.00 C ATOM 0 H PHE C 360 14.946 -2.552 -7.233 1.00 0.00 H new ATOM 0 HA PHE C 360 12.084 -2.237 -6.444 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.300 -0.197 -6.996 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.602 0.235 -7.052 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.303 -2.116 -4.583 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.400 1.579 -5.218 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.491 -1.796 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.550 1.901 -2.773 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.630 0.202 -1.233 1.00 0.00 H new ATOM 494 N HIS C 361 11.373 -1.832 -8.774 1.00 0.00 N ATOM 495 CA HIS C 361 10.911 -1.891 -10.145 1.00 0.00 C ATOM 496 C HIS C 361 11.436 -0.688 -10.916 1.00 0.00 C ATOM 497 O HIS C 361 11.863 0.304 -10.326 1.00 0.00 O ATOM 498 CB HIS C 361 9.382 -1.905 -10.180 1.00 0.00 C ATOM 499 CG HIS C 361 8.870 -3.107 -9.433 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.539 -3.233 -9.057 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.493 -4.251 -8.998 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.409 -4.417 -8.432 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.567 -5.075 -8.366 1.00 0.00 N ATOM 0 H HIS C 361 10.636 -1.680 -8.085 1.00 0.00 H new ATOM 0 HA HIS C 361 11.284 -2.804 -10.609 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.990 -0.992 -9.732 1.00 0.00 H new ATOM 0 HB3 HIS C 361 9.032 -1.930 -11.212 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.541 -4.477 -9.127 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.478 -4.790 -8.031 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.737 -5.987 -7.943 1.00 0.00 H new ATOM 511 N ASN C 362 11.409 -0.786 -12.236 1.00 0.00 N ATOM 512 CA ASN C 362 11.895 0.295 -13.078 1.00 0.00 C ATOM 513 C ASN C 362 11.113 1.579 -12.813 1.00 0.00 C ATOM 514 O ASN C 362 11.698 2.654 -12.680 1.00 0.00 O ATOM 515 CB ASN C 362 11.749 -0.098 -14.547 1.00 0.00 C ATOM 516 CG ASN C 362 10.280 -0.372 -14.872 1.00 0.00 C ATOM 517 OD1 ASN C 362 9.485 -0.643 -13.973 1.00 0.00 O ATOM 518 ND2 ASN C 362 9.874 -0.322 -16.111 1.00 0.00 N ATOM 0 H ASN C 362 11.058 -1.598 -12.745 1.00 0.00 H new ATOM 0 HA ASN C 362 12.945 0.473 -12.845 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.128 0.700 -15.185 1.00 0.00 H new ATOM 0 HB3 ASN C 362 12.348 -0.985 -14.756 1.00 0.00 H new ATOM 0 HD21 ASN C 362 8.896 -0.508 -16.335 1.00 0.00 H new ATOM 0 HD22 ASN C 362 10.534 -0.097 -16.855 1.00 0.00 H new ATOM 525 N SER C 363 9.794 1.462 -12.736 1.00 0.00 N ATOM 526 CA SER C 363 8.947 2.619 -12.481 1.00 0.00 C ATOM 527 C SER C 363 9.076 3.085 -11.036 1.00 0.00 C ATOM 528 O SER C 363 9.076 4.284 -10.756 1.00 0.00 O ATOM 529 CB SER C 363 7.491 2.270 -12.777 1.00 0.00 C ATOM 530 OG SER C 363 7.312 2.174 -14.184 1.00 0.00 O ATOM 0 H SER C 363 9.290 0.582 -12.846 1.00 0.00 H new ATOM 0 HA SER C 363 9.272 3.428 -13.135 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.226 1.327 -12.299 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.830 3.033 -12.365 1.00 0.00 H new ATOM 0 HG SER C 363 6.379 1.948 -14.380 1.00 0.00 H new ATOM 536 N CYS C 364 9.175 2.130 -10.121 1.00 0.00 N ATOM 537 CA CYS C 364 9.292 2.454 -8.705 1.00 0.00 C ATOM 538 C CYS C 364 10.631 3.111 -8.402 1.00 0.00 C ATOM 539 O CYS C 364 10.691 4.142 -7.729 1.00 0.00 O ATOM 540 CB CYS C 364 9.152 1.186 -7.860 1.00 0.00 C ATOM 541 SG CYS C 364 7.494 0.493 -8.080 1.00 0.00 S ATOM 0 H CYS C 364 9.177 1.132 -10.331 1.00 0.00 H new ATOM 0 HA CYS C 364 8.493 3.153 -8.456 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.905 0.455 -8.154 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.325 1.416 -6.809 1.00 0.00 H new ATOM 0 HG CYS C 364 6.893 0.431 -6.929 1.00 0.00 H new ATOM 546 N LEU C 365 11.706 2.504 -8.889 1.00 0.00 N ATOM 547 CA LEU C 365 13.034 3.042 -8.636 1.00 0.00 C ATOM 548 C LEU C 365 13.207 4.399 -9.321 1.00 0.00 C ATOM 549 O LEU C 365 13.598 5.380 -8.695 1.00 0.00 O ATOM 550 CB LEU C 365 14.094 2.051 -9.152 1.00 0.00 C ATOM 551 CG LEU C 365 15.399 2.201 -8.352 1.00 0.00 C ATOM 552 CD1 LEU C 365 16.473 1.260 -8.905 1.00 0.00 C ATOM 553 CD2 LEU C 365 15.889 3.646 -8.421 1.00 0.00 C ATOM 0 H LEU C 365 11.686 1.654 -9.452 1.00 0.00 H new ATOM 0 HA LEU C 365 13.159 3.184 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.721 1.031 -9.064 1.00 0.00 H new ATOM 0 HB3 LEU C 365 14.285 2.231 -10.210 1.00 0.00 H new ATOM 0 HG LEU C 365 15.204 1.938 -7.312 1.00 0.00 H new ATOM 0 HD11 LEU C 365 17.391 1.377 -8.329 1.00 0.00 H new ATOM 0 HD12 LEU C 365 16.127 0.229 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU C 365 16.667 1.503 -9.950 1.00 0.00 H new ATOM 0 HD21 LEU C 365 16.814 3.744 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.072 3.919 -9.460 1.00 0.00 H new ATOM 0 HD23 LEU C 365 15.132 4.307 -8.000 1.00 0.00 H new ATOM 565 N ARG C 366 12.912 4.443 -10.616 1.00 0.00 N ATOM 566 CA ARG C 366 13.067 5.675 -11.377 1.00 0.00 C ATOM 567 C ARG C 366 12.267 6.794 -10.724 1.00 0.00 C ATOM 568 O ARG C 366 12.767 7.905 -10.548 1.00 0.00 O ATOM 569 CB ARG C 366 12.596 5.457 -12.813 1.00 0.00 C ATOM 570 CG ARG C 366 12.885 6.708 -13.638 1.00 0.00 C ATOM 571 CD ARG C 366 12.474 6.464 -15.093 1.00 0.00 C ATOM 572 NE ARG C 366 12.888 7.584 -15.931 1.00 0.00 N ATOM 573 CZ ARG C 366 12.401 7.741 -17.157 1.00 0.00 C ATOM 574 NH1 ARG C 366 11.539 6.883 -17.634 1.00 0.00 N ATOM 575 NH2 ARG C 366 12.786 8.754 -17.886 1.00 0.00 N ATOM 0 H ARG C 366 12.568 3.648 -11.155 1.00 0.00 H new ATOM 0 HA ARG C 366 14.119 5.959 -11.389 1.00 0.00 H new ATOM 0 HB2 ARG C 366 13.105 4.596 -13.247 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.528 5.237 -12.828 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.338 7.559 -13.232 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.945 6.955 -13.585 1.00 0.00 H new ATOM 0 HD2 ARG C 366 12.928 5.542 -15.456 1.00 0.00 H new ATOM 0 HD3 ARG C 366 11.394 6.334 -15.156 1.00 0.00 H new ATOM 0 HE ARG C 366 13.563 8.258 -15.569 1.00 0.00 H new ATOM 0 HH11 ARG C 366 11.239 6.091 -17.065 1.00 0.00 H new ATOM 0 HH12 ARG C 366 11.166 7.005 -18.575 1.00 0.00 H new ATOM 0 HH21 ARG C 366 13.460 9.423 -17.514 1.00 0.00 H new ATOM 0 HH22 ARG C 366 12.413 8.876 -18.827 1.00 0.00 H new ATOM 589 N SER C 367 11.030 6.489 -10.370 1.00 0.00 N ATOM 590 CA SER C 367 10.169 7.477 -9.738 1.00 0.00 C ATOM 591 C SER C 367 10.839 8.013 -8.477 1.00 0.00 C ATOM 592 O SER C 367 10.809 9.216 -8.209 1.00 0.00 O ATOM 593 CB SER C 367 8.823 6.848 -9.378 1.00 0.00 C ATOM 594 OG SER C 367 7.988 7.833 -8.783 1.00 0.00 O ATOM 0 H SER C 367 10.601 5.574 -10.507 1.00 0.00 H new ATOM 0 HA SER C 367 10.002 8.298 -10.435 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.347 6.443 -10.271 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.970 6.016 -8.690 1.00 0.00 H new ATOM 0 HG SER C 367 7.124 7.433 -8.552 1.00 0.00 H new ATOM 600 N TRP C 368 11.448 7.114 -7.711 1.00 0.00 N ATOM 601 CA TRP C 368 12.131 7.514 -6.488 1.00 0.00 C ATOM 602 C TRP C 368 13.296 8.448 -6.805 1.00 0.00 C ATOM 603 O TRP C 368 13.516 9.441 -6.111 1.00 0.00 O ATOM 604 CB TRP C 368 12.649 6.273 -5.747 1.00 0.00 C ATOM 605 CG TRP C 368 12.858 6.600 -4.300 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.057 6.823 -3.717 1.00 0.00 C ATOM 607 CD2 TRP C 368 11.858 6.749 -3.252 1.00 0.00 C ATOM 608 NE1 TRP C 368 13.858 7.106 -2.378 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.521 7.067 -2.042 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.457 6.639 -3.233 1.00 0.00 C ATOM 611 CZ2 TRP C 368 11.815 7.268 -0.856 1.00 0.00 C ATOM 612 CZ3 TRP C 368 9.744 6.841 -2.040 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.423 7.154 -0.854 1.00 0.00 C ATOM 0 H TRP C 368 11.482 6.115 -7.913 1.00 0.00 H new ATOM 0 HA TRP C 368 11.421 8.044 -5.853 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.936 5.455 -5.846 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.585 5.936 -6.193 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.014 6.786 -4.216 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.608 7.318 -1.720 1.00 0.00 H new ATOM 0 HE3 TRP C 368 9.925 6.398 -4.142 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.342 7.510 0.055 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 8.667 6.755 -2.036 1.00 0.00 H new ATOM 0 HH2 TRP C 368 9.870 7.307 0.061 1.00 0.00 H new ATOM 624 N LEU C 369 14.044 8.118 -7.853 1.00 0.00 N ATOM 625 CA LEU C 369 15.191 8.930 -8.247 1.00 0.00 C ATOM 626 C LEU C 369 14.736 10.331 -8.639 1.00 0.00 C ATOM 627 O LEU C 369 15.441 11.312 -8.396 1.00 0.00 O ATOM 628 CB LEU C 369 15.927 8.274 -9.417 1.00 0.00 C ATOM 629 CG LEU C 369 16.511 6.924 -8.978 1.00 0.00 C ATOM 630 CD1 LEU C 369 17.110 6.207 -10.197 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.597 7.122 -7.901 1.00 0.00 C ATOM 0 H LEU C 369 13.879 7.301 -8.441 1.00 0.00 H new ATOM 0 HA LEU C 369 15.872 9.004 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.243 8.129 -10.253 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.725 8.928 -9.768 1.00 0.00 H new ATOM 0 HG LEU C 369 15.712 6.318 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.525 5.248 -9.887 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.331 6.042 -10.941 1.00 0.00 H new ATOM 0 HD13 LEU C 369 17.900 6.822 -10.629 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.997 6.152 -7.605 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.401 7.738 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU C 369 17.162 7.616 -7.032 1.00 0.00 H new ATOM 643 N GLU C 370 13.559 10.416 -9.238 1.00 0.00 N ATOM 644 CA GLU C 370 13.019 11.701 -9.646 1.00 0.00 C ATOM 645 C GLU C 370 12.610 12.518 -8.423 1.00 0.00 C ATOM 646 O GLU C 370 12.759 13.741 -8.404 1.00 0.00 O ATOM 647 CB GLU C 370 11.810 11.488 -10.554 1.00 0.00 C ATOM 648 CG GLU C 370 11.403 12.819 -11.184 1.00 0.00 C ATOM 649 CD GLU C 370 12.442 13.243 -12.218 1.00 0.00 C ATOM 650 OE1 GLU C 370 13.313 12.443 -12.514 1.00 0.00 O ATOM 651 OE2 GLU C 370 12.353 14.363 -12.691 1.00 0.00 O ATOM 0 H GLU C 370 12.963 9.616 -9.451 1.00 0.00 H new ATOM 0 HA GLU C 370 13.788 12.248 -10.191 1.00 0.00 H new ATOM 0 HB2 GLU C 370 12.050 10.764 -11.332 1.00 0.00 H new ATOM 0 HB3 GLU C 370 10.980 11.076 -9.981 1.00 0.00 H new ATOM 0 HG2 GLU C 370 10.425 12.724 -11.656 1.00 0.00 H new ATOM 0 HG3 GLU C 370 11.312 13.584 -10.413 1.00 0.00 H new ATOM 658 N GLN C 371 12.082 11.838 -7.406 1.00 0.00 N ATOM 659 CA GLN C 371 11.650 12.519 -6.188 1.00 0.00 C ATOM 660 C GLN C 371 12.837 12.803 -5.274 1.00 0.00 C ATOM 661 O GLN C 371 13.076 13.946 -4.885 1.00 0.00 O ATOM 662 CB GLN C 371 10.628 11.654 -5.443 1.00 0.00 C ATOM 663 CG GLN C 371 10.130 12.400 -4.201 1.00 0.00 C ATOM 664 CD GLN C 371 9.040 11.591 -3.507 1.00 0.00 C ATOM 665 OE1 GLN C 371 8.477 10.671 -4.100 1.00 0.00 O ATOM 666 NE2 GLN C 371 8.704 11.885 -2.281 1.00 0.00 N ATOM 0 H GLN C 371 11.944 10.827 -7.401 1.00 0.00 H new ATOM 0 HA GLN C 371 11.193 13.467 -6.471 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.790 11.418 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN C 371 11.082 10.706 -5.153 1.00 0.00 H new ATOM 0 HG2 GLN C 371 10.959 12.573 -3.514 1.00 0.00 H new ATOM 0 HG3 GLN C 371 9.742 13.378 -4.486 1.00 0.00 H new ATOM 0 HE21 GLN C 371 9.173 12.648 -1.793 1.00 0.00 H new ATOM 0 HE22 GLN C 371 7.973 11.352 -1.811 1.00 0.00 H new ATOM 675 N ASP C 372 13.576 11.750 -4.931 1.00 0.00 N ATOM 676 CA ASP C 372 14.737 11.889 -4.057 1.00 0.00 C ATOM 677 C ASP C 372 15.749 10.779 -4.326 1.00 0.00 C ATOM 678 O ASP C 372 15.379 9.644 -4.627 1.00 0.00 O ATOM 679 CB ASP C 372 14.295 11.818 -2.593 1.00 0.00 C ATOM 680 CG ASP C 372 15.438 12.253 -1.683 1.00 0.00 C ATOM 681 OD1 ASP C 372 16.537 12.421 -2.185 1.00 0.00 O ATOM 682 OD2 ASP C 372 15.197 12.415 -0.498 1.00 0.00 O ATOM 0 H ASP C 372 13.392 10.796 -5.243 1.00 0.00 H new ATOM 0 HA ASP C 372 15.204 12.853 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP C 372 13.428 12.460 -2.434 1.00 0.00 H new ATOM 0 HB3 ASP C 372 13.989 10.802 -2.346 1.00 0.00 H new ATOM 687 N THR C 373 17.033 11.115 -4.214 1.00 0.00 N ATOM 688 CA THR C 373 18.107 10.148 -4.436 1.00 0.00 C ATOM 689 C THR C 373 18.620 9.629 -3.101 1.00 0.00 C ATOM 690 O THR C 373 19.701 10.009 -2.647 1.00 0.00 O ATOM 691 CB THR C 373 19.254 10.809 -5.201 1.00 0.00 C ATOM 692 OG1 THR C 373 19.566 12.061 -4.602 1.00 0.00 O ATOM 693 CG2 THR C 373 18.839 11.026 -6.655 1.00 0.00 C ATOM 0 H THR C 373 17.355 12.052 -3.970 1.00 0.00 H new ATOM 0 HA THR C 373 17.717 9.315 -5.021 1.00 0.00 H new ATOM 0 HB THR C 373 20.132 10.164 -5.168 1.00 0.00 H new ATOM 0 HG1 THR C 373 19.878 11.916 -3.684 1.00 0.00 H new ATOM 0 HG21 THR C 373 19.657 11.497 -7.200 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.603 10.066 -7.113 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.961 11.670 -6.690 1.00 0.00 H new ATOM 701 N SER C 374 17.842 8.751 -2.485 1.00 0.00 N ATOM 702 CA SER C 374 18.227 8.170 -1.199 1.00 0.00 C ATOM 703 C SER C 374 17.638 6.782 -1.043 1.00 0.00 C ATOM 704 O SER C 374 16.668 6.438 -1.707 1.00 0.00 O ATOM 705 CB SER C 374 17.754 9.060 -0.052 1.00 0.00 C ATOM 706 OG SER C 374 16.408 8.733 0.275 1.00 0.00 O ATOM 0 H SER C 374 16.946 8.425 -2.848 1.00 0.00 H new ATOM 0 HA SER C 374 19.314 8.097 -1.171 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.395 8.922 0.818 1.00 0.00 H new ATOM 0 HB3 SER C 374 17.826 10.109 -0.338 1.00 0.00 H new ATOM 0 HG SER C 374 16.103 9.302 1.012 1.00 0.00 H new ATOM 712 N CYS C 375 18.239 5.986 -0.158 1.00 0.00 N ATOM 713 CA CYS C 375 17.759 4.629 0.075 1.00 0.00 C ATOM 714 C CYS C 375 16.586 4.629 1.075 1.00 0.00 C ATOM 715 O CYS C 375 16.777 4.946 2.242 1.00 0.00 O ATOM 716 CB CYS C 375 18.888 3.765 0.622 1.00 0.00 C ATOM 717 SG CYS C 375 18.264 2.088 0.881 1.00 0.00 S ATOM 0 H CYS C 375 19.048 6.255 0.401 1.00 0.00 H new ATOM 0 HA CYS C 375 17.412 4.222 -0.875 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.726 3.753 -0.075 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.260 4.179 1.560 1.00 0.00 H new ATOM 0 HG CYS C 375 19.233 1.236 0.727 1.00 0.00 H new ATOM 722 N PRO C 376 15.392 4.276 0.659 1.00 0.00 N ATOM 723 CA PRO C 376 14.199 4.250 1.564 1.00 0.00 C ATOM 724 C PRO C 376 14.444 3.469 2.855 1.00 0.00 C ATOM 725 O PRO C 376 13.762 3.677 3.857 1.00 0.00 O ATOM 726 CB PRO C 376 13.112 3.563 0.717 1.00 0.00 C ATOM 727 CG PRO C 376 13.514 3.795 -0.700 1.00 0.00 C ATOM 728 CD PRO C 376 15.038 3.857 -0.709 1.00 0.00 C ATOM 0 HA PRO C 376 13.931 5.253 1.895 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.054 2.498 0.940 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.128 3.986 0.921 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.154 2.992 -1.343 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.085 4.723 -1.079 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.474 2.889 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.403 4.568 -1.450 1.00 0.00 H new ATOM 736 N THR C 377 15.418 2.563 2.819 1.00 0.00 N ATOM 737 CA THR C 377 15.743 1.741 3.986 1.00 0.00 C ATOM 738 C THR C 377 17.058 2.176 4.614 1.00 0.00 C ATOM 739 O THR C 377 17.088 2.645 5.751 1.00 0.00 O ATOM 740 CB THR C 377 15.835 0.275 3.564 1.00 0.00 C ATOM 741 OG1 THR C 377 14.567 -0.165 3.099 1.00 0.00 O ATOM 742 CG2 THR C 377 16.263 -0.579 4.758 1.00 0.00 C ATOM 0 H THR C 377 15.995 2.378 1.999 1.00 0.00 H new ATOM 0 HA THR C 377 14.954 1.866 4.727 1.00 0.00 H new ATOM 0 HB THR C 377 16.571 0.176 2.766 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.626 -1.105 2.827 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.328 -1.624 4.454 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.237 -0.244 5.114 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.530 -0.479 5.558 1.00 0.00 H new ATOM 750 N CYS C 378 18.144 2.007 3.874 1.00 0.00 N ATOM 751 CA CYS C 378 19.457 2.379 4.382 1.00 0.00 C ATOM 752 C CYS C 378 19.541 3.882 4.625 1.00 0.00 C ATOM 753 O CYS C 378 20.342 4.344 5.437 1.00 0.00 O ATOM 754 CB CYS C 378 20.546 1.945 3.397 1.00 0.00 C ATOM 755 SG CYS C 378 20.458 0.156 3.154 1.00 0.00 S ATOM 0 H CYS C 378 18.144 1.619 2.931 1.00 0.00 H new ATOM 0 HA CYS C 378 19.612 1.869 5.333 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.416 2.459 2.445 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.528 2.223 3.778 1.00 0.00 H new ATOM 0 HG CYS C 378 20.938 -0.147 1.984 1.00 0.00 H new ATOM 760 N ARG C 379 18.711 4.641 3.916 1.00 0.00 N ATOM 761 CA ARG C 379 18.702 6.093 4.062 1.00 0.00 C ATOM 762 C ARG C 379 20.033 6.681 3.605 1.00 0.00 C ATOM 763 O ARG C 379 20.414 7.782 4.002 1.00 0.00 O ATOM 764 CB ARG C 379 18.441 6.470 5.528 1.00 0.00 C ATOM 765 CG ARG C 379 17.893 7.899 5.606 1.00 0.00 C ATOM 766 CD ARG C 379 17.639 8.268 7.062 1.00 0.00 C ATOM 767 NE ARG C 379 18.896 8.298 7.798 1.00 0.00 N ATOM 768 CZ ARG C 379 18.918 8.504 9.108 1.00 0.00 C ATOM 769 NH1 ARG C 379 17.801 8.683 9.757 1.00 0.00 N ATOM 770 NH2 ARG C 379 20.055 8.523 9.748 1.00 0.00 N ATOM 0 H ARG C 379 18.040 4.278 3.239 1.00 0.00 H new ATOM 0 HA ARG C 379 17.906 6.502 3.439 1.00 0.00 H new ATOM 0 HB2 ARG C 379 17.730 5.773 5.971 1.00 0.00 H new ATOM 0 HB3 ARG C 379 19.364 6.393 6.103 1.00 0.00 H new ATOM 0 HG2 ARG C 379 18.603 8.597 5.162 1.00 0.00 H new ATOM 0 HG3 ARG C 379 16.969 7.977 5.034 1.00 0.00 H new ATOM 0 HD2 ARG C 379 17.152 9.242 7.119 1.00 0.00 H new ATOM 0 HD3 ARG C 379 16.960 7.545 7.515 1.00 0.00 H new ATOM 0 HE ARG C 379 19.774 8.158 7.297 1.00 0.00 H new ATOM 0 HH11 ARG C 379 16.912 8.664 9.257 1.00 0.00 H new ATOM 0 HH12 ARG C 379 17.816 8.842 10.764 1.00 0.00 H new ATOM 0 HH21 ARG C 379 20.928 8.379 9.241 1.00 0.00 H new ATOM 0 HH22 ARG C 379 20.071 8.682 10.755 1.00 0.00 H new ATOM 784 N MET C 380 20.745 5.935 2.766 1.00 0.00 N ATOM 785 CA MET C 380 22.036 6.390 2.255 1.00 0.00 C ATOM 786 C MET C 380 21.911 6.853 0.807 1.00 0.00 C ATOM 787 O MET C 380 21.295 6.181 -0.024 1.00 0.00 O ATOM 788 CB MET C 380 23.059 5.256 2.342 1.00 0.00 C ATOM 789 CG MET C 380 24.437 5.780 1.929 1.00 0.00 C ATOM 790 SD MET C 380 25.662 4.460 2.105 1.00 0.00 S ATOM 791 CE MET C 380 26.203 4.864 3.784 1.00 0.00 C ATOM 0 H MET C 380 20.453 5.018 2.427 1.00 0.00 H new ATOM 0 HA MET C 380 22.369 7.231 2.864 1.00 0.00 H new ATOM 0 HB2 MET C 380 23.097 4.863 3.358 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.761 4.433 1.693 1.00 0.00 H new ATOM 0 HG2 MET C 380 24.410 6.131 0.897 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.714 6.633 2.549 1.00 0.00 H new ATOM 0 HE1 MET C 380 26.973 4.159 4.098 1.00 0.00 H new ATOM 0 HE2 MET C 380 26.608 5.876 3.802 1.00 0.00 H new ATOM 0 HE3 MET C 380 25.354 4.801 4.465 1.00 0.00 H new ATOM 801 N SER C 381 22.507 8.005 0.515 1.00 0.00 N ATOM 802 CA SER C 381 22.476 8.555 -0.834 1.00 0.00 C ATOM 803 C SER C 381 23.342 7.716 -1.763 1.00 0.00 C ATOM 804 O SER C 381 24.426 7.270 -1.382 1.00 0.00 O ATOM 805 CB SER C 381 22.976 10.000 -0.830 1.00 0.00 C ATOM 806 OG SER C 381 22.129 10.787 -0.001 1.00 0.00 O ATOM 0 H SER C 381 23.015 8.573 1.192 1.00 0.00 H new ATOM 0 HA SER C 381 21.446 8.537 -1.191 1.00 0.00 H new ATOM 0 HB2 SER C 381 24.002 10.041 -0.465 1.00 0.00 H new ATOM 0 HB3 SER C 381 22.983 10.398 -1.845 1.00 0.00 H new ATOM 0 HG SER C 381 22.447 11.714 0.006 1.00 0.00 H new ATOM 812 N LEU C 382 22.862 7.502 -2.980 1.00 0.00 N ATOM 813 CA LEU C 382 23.597 6.710 -3.959 1.00 0.00 C ATOM 814 C LEU C 382 24.618 7.592 -4.668 1.00 0.00 C ATOM 815 O LEU C 382 24.264 8.394 -5.534 1.00 0.00 O ATOM 816 CB LEU C 382 22.626 6.115 -4.998 1.00 0.00 C ATOM 817 CG LEU C 382 21.401 7.040 -5.169 1.00 0.00 C ATOM 818 CD1 LEU C 382 20.856 6.930 -6.597 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.298 6.640 -4.178 1.00 0.00 C ATOM 0 H LEU C 382 21.969 7.864 -3.314 1.00 0.00 H new ATOM 0 HA LEU C 382 24.109 5.898 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU C 382 23.135 5.992 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU C 382 22.302 5.124 -4.679 1.00 0.00 H new ATOM 0 HG LEU C 382 21.711 8.067 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU C 382 19.992 7.586 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU C 382 21.630 7.226 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.558 5.900 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.438 7.298 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU C 382 19.997 5.609 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.675 6.729 -3.159 1.00 0.00 H new