USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 400 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 356 CYS SG : rot -139:sc= -0.102 USER MOD Set 1.2: C 358 HIS : no HE2:sc= -3.04! C(o=-1.5!,f=-6.1!) USER MOD Set 1.3: C 375 CYS SG : rot -164:sc= 0.774! USER MOD Set 1.4: C 378 CYS SG : rot -130:sc= 0.823 USER MOD Set 2.1: C 341 CYS SG : rot -151:sc= -3.46! USER MOD Set 2.2: C 344 CYS SG : rot -40:sc= 0.0988 USER MOD Set 2.3: C 361 HIS : no HE2:sc= -11.1! C(o=-13!,f=-13!) USER MOD Set 2.4: C 364 CYS SG : rot -140:sc= 1.31 USER MOD Single : C 330 THR OG1 : rot 180:sc= 0 USER MOD Single : C 337 ASN : amide:sc= -0.0837 K(o=-0.084,f=-1.5!) USER MOD Single : C 338 ASN : amide:sc= -1.49 K(o=-1.5,f=-4.2!) USER MOD Single : C 347 SER OG : rot 180:sc= -0.0525 USER MOD Single : C 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 349 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.22) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 362 ASN : amide:sc= -0.0174 K(o=-0.017,f=-1.1) 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= -0.22 K(o=-0.22,f=-1) USER MOD Single : C 373 THR OG1 : rot -92:sc= -0.552! USER MOD Single : C 374 SER OG : rot -85:sc= 0.308 USER MOD Single : C 377 THR OG1 : rot 175:sc= 0 USER MOD Single : C 380 MET CE :methyl 152:sc= -0.237 (180deg=-1.29!) USER MOD Single : C 381 SER OG : rot 22:sc= 0.946 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.829 0.105 -17.894 1.00 0.00 N ATOM 2 CA ALA C 327 18.088 0.037 -17.100 1.00 0.00 C ATOM 3 C ALA C 327 18.065 -1.207 -16.220 1.00 0.00 C ATOM 4 O ALA C 327 18.619 -1.213 -15.120 1.00 0.00 O ATOM 5 CB ALA C 327 18.208 1.283 -16.224 1.00 0.00 C ATOM 0 HA ALA C 327 18.942 -0.012 -17.775 1.00 0.00 H new ATOM 0 HB1 ALA C 327 19.129 1.232 -15.644 1.00 0.00 H new ATOM 0 HB2 ALA C 327 18.225 2.171 -16.855 1.00 0.00 H new ATOM 0 HB3 ALA C 327 17.355 1.335 -15.547 1.00 0.00 H new ATOM 11 N VAL C 328 17.419 -2.263 -16.709 1.00 0.00 N ATOM 12 CA VAL C 328 17.328 -3.520 -15.965 1.00 0.00 C ATOM 13 C VAL C 328 18.262 -4.562 -16.566 1.00 0.00 C ATOM 14 O VAL C 328 18.044 -5.038 -17.680 1.00 0.00 O ATOM 15 CB VAL C 328 15.894 -4.049 -16.007 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.822 -5.397 -15.272 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.959 -3.034 -15.332 1.00 0.00 C ATOM 0 H VAL C 328 16.951 -2.275 -17.615 1.00 0.00 H new ATOM 0 HA VAL C 328 17.619 -3.330 -14.932 1.00 0.00 H new ATOM 0 HB VAL C 328 15.585 -4.191 -17.042 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.800 -5.774 -15.302 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.487 -6.112 -15.757 1.00 0.00 H new ATOM 0 HG13 VAL C 328 16.129 -5.263 -14.235 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.935 -3.408 -15.360 1.00 0.00 H new ATOM 0 HG22 VAL C 328 15.265 -2.891 -14.296 1.00 0.00 H new ATOM 0 HG23 VAL C 328 15.012 -2.082 -15.861 1.00 0.00 H new ATOM 27 N ALA C 329 19.303 -4.916 -15.818 1.00 0.00 N ATOM 28 CA ALA C 329 20.275 -5.910 -16.270 1.00 0.00 C ATOM 29 C ALA C 329 20.014 -7.242 -15.588 1.00 0.00 C ATOM 30 O ALA C 329 20.690 -8.232 -15.865 1.00 0.00 O ATOM 31 CB ALA C 329 21.694 -5.439 -15.945 1.00 0.00 C ATOM 0 H ALA C 329 19.496 -4.529 -14.894 1.00 0.00 H new ATOM 0 HA ALA C 329 20.174 -6.033 -17.348 1.00 0.00 H new ATOM 0 HB1 ALA C 329 22.412 -6.185 -16.285 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.888 -4.493 -16.450 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.795 -5.303 -14.868 1.00 0.00 H new ATOM 37 N THR C 330 19.038 -7.262 -14.686 1.00 0.00 N ATOM 38 CA THR C 330 18.709 -8.494 -13.966 1.00 0.00 C ATOM 39 C THR C 330 17.740 -9.361 -14.774 1.00 0.00 C ATOM 40 O THR C 330 16.850 -8.836 -15.442 1.00 0.00 O ATOM 41 CB THR C 330 18.078 -8.156 -12.612 1.00 0.00 C ATOM 42 OG1 THR C 330 16.684 -7.946 -12.780 1.00 0.00 O ATOM 43 CG2 THR C 330 18.730 -6.895 -12.041 1.00 0.00 C ATOM 0 H THR C 330 18.467 -6.454 -14.436 1.00 0.00 H new ATOM 0 HA THR C 330 19.633 -9.052 -13.814 1.00 0.00 H new ATOM 0 HB THR C 330 18.236 -8.983 -11.920 1.00 0.00 H new ATOM 0 HG1 THR C 330 16.279 -7.731 -11.914 1.00 0.00 H new ATOM 0 HG21 THR C 330 18.279 -6.657 -11.078 1.00 0.00 H new ATOM 0 HG22 THR C 330 19.799 -7.066 -11.909 1.00 0.00 H new ATOM 0 HG23 THR C 330 18.577 -6.063 -12.729 1.00 0.00 H new ATOM 51 N PRO C 331 17.875 -10.670 -14.722 1.00 0.00 N ATOM 52 CA PRO C 331 16.971 -11.608 -15.459 1.00 0.00 C ATOM 53 C PRO C 331 15.585 -11.701 -14.821 1.00 0.00 C ATOM 54 O PRO C 331 15.428 -11.473 -13.621 1.00 0.00 O ATOM 55 CB PRO C 331 17.704 -12.951 -15.373 1.00 0.00 C ATOM 56 CG PRO C 331 18.461 -12.869 -14.092 1.00 0.00 C ATOM 57 CD PRO C 331 18.898 -11.411 -13.953 1.00 0.00 C ATOM 0 HA PRO C 331 16.785 -11.279 -16.481 1.00 0.00 H new ATOM 0 HB2 PRO C 331 17.005 -13.787 -15.370 1.00 0.00 H new ATOM 0 HB3 PRO C 331 18.372 -13.096 -16.222 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.838 -13.171 -13.250 1.00 0.00 H new ATOM 0 HG3 PRO C 331 19.324 -13.535 -14.105 1.00 0.00 H new ATOM 0 HD2 PRO C 331 18.922 -11.097 -12.910 1.00 0.00 H new ATOM 0 HD3 PRO C 331 19.898 -11.251 -14.357 1.00 0.00 H new ATOM 65 N GLU C 332 14.595 -12.066 -15.625 1.00 0.00 N ATOM 66 CA GLU C 332 13.240 -12.215 -15.121 1.00 0.00 C ATOM 67 C GLU C 332 13.235 -13.201 -13.959 1.00 0.00 C ATOM 68 O GLU C 332 12.322 -13.206 -13.142 1.00 0.00 O ATOM 69 CB GLU C 332 12.319 -12.724 -16.231 1.00 0.00 C ATOM 70 CG GLU C 332 12.128 -11.631 -17.274 1.00 0.00 C ATOM 71 CD GLU C 332 11.312 -12.161 -18.450 1.00 0.00 C ATOM 72 OE1 GLU C 332 10.934 -13.321 -18.410 1.00 0.00 O ATOM 73 OE2 GLU C 332 11.077 -11.400 -19.374 1.00 0.00 O ATOM 0 H GLU C 332 14.705 -12.262 -16.620 1.00 0.00 H new ATOM 0 HA GLU C 332 12.879 -11.245 -14.778 1.00 0.00 H new ATOM 0 HB2 GLU C 332 12.747 -13.613 -16.694 1.00 0.00 H new ATOM 0 HB3 GLU C 332 11.355 -13.015 -15.813 1.00 0.00 H new ATOM 0 HG2 GLU C 332 11.621 -10.776 -16.827 1.00 0.00 H new ATOM 0 HG3 GLU C 332 13.098 -11.279 -17.624 1.00 0.00 H new ATOM 80 N GLU C 333 14.264 -14.034 -13.889 1.00 0.00 N ATOM 81 CA GLU C 333 14.360 -15.015 -12.819 1.00 0.00 C ATOM 82 C GLU C 333 14.197 -14.344 -11.461 1.00 0.00 C ATOM 83 O GLU C 333 13.318 -14.706 -10.680 1.00 0.00 O ATOM 84 CB GLU C 333 15.724 -15.702 -12.889 1.00 0.00 C ATOM 85 CG GLU C 333 15.768 -16.616 -14.111 1.00 0.00 C ATOM 86 CD GLU C 333 14.832 -17.810 -13.921 1.00 0.00 C ATOM 87 OE1 GLU C 333 14.965 -18.489 -12.915 1.00 0.00 O ATOM 88 OE2 GLU C 333 13.999 -18.026 -14.785 1.00 0.00 O ATOM 0 H GLU C 333 15.037 -14.050 -14.554 1.00 0.00 H new ATOM 0 HA GLU C 333 13.565 -15.751 -12.941 1.00 0.00 H new ATOM 0 HB2 GLU C 333 16.517 -14.956 -12.950 1.00 0.00 H new ATOM 0 HB3 GLU C 333 15.899 -16.280 -11.982 1.00 0.00 H new ATOM 0 HG2 GLU C 333 15.478 -16.057 -15.001 1.00 0.00 H new ATOM 0 HG3 GLU C 333 16.787 -16.967 -14.273 1.00 0.00 H new ATOM 95 N LEU C 334 15.046 -13.363 -11.192 1.00 0.00 N ATOM 96 CA LEU C 334 14.982 -12.649 -9.925 1.00 0.00 C ATOM 97 C LEU C 334 13.684 -11.860 -9.807 1.00 0.00 C ATOM 98 O LEU C 334 13.046 -11.853 -8.757 1.00 0.00 O ATOM 99 CB LEU C 334 16.181 -11.699 -9.795 1.00 0.00 C ATOM 100 CG LEU C 334 16.097 -10.908 -8.476 1.00 0.00 C ATOM 101 CD1 LEU C 334 16.011 -11.872 -7.279 1.00 0.00 C ATOM 102 CD2 LEU C 334 17.342 -10.019 -8.342 1.00 0.00 C ATOM 0 H LEU C 334 15.779 -13.046 -11.826 1.00 0.00 H new ATOM 0 HA LEU C 334 15.013 -13.383 -9.120 1.00 0.00 H new ATOM 0 HB2 LEU C 334 17.110 -12.269 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU C 334 16.201 -11.010 -10.639 1.00 0.00 H new ATOM 0 HG LEU C 334 15.201 -10.287 -8.485 1.00 0.00 H new ATOM 0 HD11 LEU C 334 15.952 -11.299 -6.354 1.00 0.00 H new ATOM 0 HD12 LEU C 334 15.122 -12.495 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU C 334 16.898 -12.506 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU C 334 17.289 -9.456 -7.410 1.00 0.00 H new ATOM 0 HD22 LEU C 334 18.236 -10.643 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU C 334 17.386 -9.326 -9.182 1.00 0.00 H new ATOM 114 N ALA C 335 13.308 -11.191 -10.888 1.00 0.00 N ATOM 115 CA ALA C 335 12.095 -10.388 -10.884 1.00 0.00 C ATOM 116 C ALA C 335 10.868 -11.265 -10.672 1.00 0.00 C ATOM 117 O ALA C 335 10.012 -10.965 -9.848 1.00 0.00 O ATOM 118 CB ALA C 335 11.974 -9.634 -12.211 1.00 0.00 C ATOM 0 H ALA C 335 13.820 -11.188 -11.770 1.00 0.00 H new ATOM 0 HA ALA C 335 12.152 -9.674 -10.063 1.00 0.00 H new ATOM 0 HB1 ALA C 335 11.065 -9.033 -12.206 1.00 0.00 H new ATOM 0 HB2 ALA C 335 12.839 -8.983 -12.340 1.00 0.00 H new ATOM 0 HB3 ALA C 335 11.932 -10.349 -13.033 1.00 0.00 H new ATOM 124 N VAL C 336 10.805 -12.352 -11.417 1.00 0.00 N ATOM 125 CA VAL C 336 9.684 -13.278 -11.314 1.00 0.00 C ATOM 126 C VAL C 336 9.638 -13.867 -9.911 1.00 0.00 C ATOM 127 O VAL C 336 8.571 -13.965 -9.304 1.00 0.00 O ATOM 128 CB VAL C 336 9.831 -14.397 -12.364 1.00 0.00 C ATOM 129 CG1 VAL C 336 8.747 -15.462 -12.141 1.00 0.00 C ATOM 130 CG2 VAL C 336 9.704 -13.815 -13.791 1.00 0.00 C ATOM 0 H VAL C 336 11.514 -12.619 -12.100 1.00 0.00 H new ATOM 0 HA VAL C 336 8.752 -12.745 -11.504 1.00 0.00 H new ATOM 0 HB VAL C 336 10.815 -14.853 -12.256 1.00 0.00 H new ATOM 0 HG11 VAL C 336 8.854 -16.251 -12.885 1.00 0.00 H new ATOM 0 HG12 VAL C 336 8.854 -15.887 -11.143 1.00 0.00 H new ATOM 0 HG13 VAL C 336 7.762 -15.004 -12.237 1.00 0.00 H new ATOM 0 HG21 VAL C 336 9.810 -14.617 -14.522 1.00 0.00 H new ATOM 0 HG22 VAL C 336 8.727 -13.345 -13.907 1.00 0.00 H new ATOM 0 HG23 VAL C 336 10.485 -13.072 -13.952 1.00 0.00 H new ATOM 140 N ASN C 337 10.800 -14.251 -9.394 1.00 0.00 N ATOM 141 CA ASN C 337 10.867 -14.816 -8.057 1.00 0.00 C ATOM 142 C ASN C 337 10.639 -13.728 -7.010 1.00 0.00 C ATOM 143 O ASN C 337 10.379 -14.023 -5.841 1.00 0.00 O ATOM 144 CB ASN C 337 12.232 -15.466 -7.830 1.00 0.00 C ATOM 145 CG ASN C 337 12.197 -16.328 -6.574 1.00 0.00 C ATOM 146 OD1 ASN C 337 11.167 -16.926 -6.261 1.00 0.00 O ATOM 147 ND2 ASN C 337 13.264 -16.431 -5.833 1.00 0.00 N ATOM 0 H ASN C 337 11.697 -14.182 -9.876 1.00 0.00 H new ATOM 0 HA ASN C 337 10.087 -15.572 -7.961 1.00 0.00 H new ATOM 0 HB2 ASN C 337 12.501 -16.076 -8.692 1.00 0.00 H new ATOM 0 HB3 ASN C 337 12.998 -14.697 -7.732 1.00 0.00 H new ATOM 0 HD21 ASN C 337 13.247 -17.008 -4.992 1.00 0.00 H new ATOM 0 HD22 ASN C 337 14.116 -15.935 -6.094 1.00 0.00 H new ATOM 154 N ASN C 338 10.738 -12.472 -7.438 1.00 0.00 N ATOM 155 CA ASN C 338 10.541 -11.336 -6.542 1.00 0.00 C ATOM 156 C ASN C 338 9.982 -10.148 -7.319 1.00 0.00 C ATOM 157 O ASN C 338 10.606 -9.089 -7.387 1.00 0.00 O ATOM 158 CB ASN C 338 11.870 -10.937 -5.901 1.00 0.00 C ATOM 159 CG ASN C 338 11.632 -9.887 -4.819 1.00 0.00 C ATOM 160 OD1 ASN C 338 10.528 -9.357 -4.699 1.00 0.00 O ATOM 161 ND2 ASN C 338 12.608 -9.549 -4.021 1.00 0.00 N ATOM 0 H ASN C 338 10.954 -12.215 -8.401 1.00 0.00 H new ATOM 0 HA ASN C 338 9.835 -11.626 -5.764 1.00 0.00 H new ATOM 0 HB2 ASN C 338 12.353 -11.814 -5.469 1.00 0.00 H new ATOM 0 HB3 ASN C 338 12.546 -10.543 -6.660 1.00 0.00 H new ATOM 0 HD21 ASN C 338 12.455 -8.846 -3.298 1.00 0.00 H new ATOM 0 HD22 ASN C 338 13.523 -9.988 -4.120 1.00 0.00 H new ATOM 168 N ASP C 339 8.798 -10.334 -7.895 1.00 0.00 N ATOM 169 CA ASP C 339 8.151 -9.273 -8.668 1.00 0.00 C ATOM 170 C ASP C 339 7.238 -8.452 -7.759 1.00 0.00 C ATOM 171 O ASP C 339 6.022 -8.616 -7.789 1.00 0.00 O ATOM 172 CB ASP C 339 7.343 -9.885 -9.838 1.00 0.00 C ATOM 173 CG ASP C 339 6.324 -8.874 -10.365 1.00 0.00 C ATOM 174 OD1 ASP C 339 6.562 -7.691 -10.194 1.00 0.00 O ATOM 175 OD2 ASP C 339 5.319 -9.294 -10.915 1.00 0.00 O ATOM 0 H ASP C 339 8.268 -11.204 -7.843 1.00 0.00 H new ATOM 0 HA ASP C 339 8.915 -8.615 -9.082 1.00 0.00 H new ATOM 0 HB2 ASP C 339 8.019 -10.182 -10.640 1.00 0.00 H new ATOM 0 HB3 ASP C 339 6.831 -10.787 -9.503 1.00 0.00 H new ATOM 180 N ASP C 340 7.835 -7.559 -6.966 1.00 0.00 N ATOM 181 CA ASP C 340 7.069 -6.704 -6.061 1.00 0.00 C ATOM 182 C ASP C 340 7.995 -6.069 -5.025 1.00 0.00 C ATOM 183 O ASP C 340 8.517 -6.754 -4.145 1.00 0.00 O ATOM 184 CB ASP C 340 5.970 -7.513 -5.351 1.00 0.00 C ATOM 185 CG ASP C 340 6.495 -8.905 -5.024 1.00 0.00 C ATOM 186 OD1 ASP C 340 7.693 -9.028 -4.831 1.00 0.00 O ATOM 187 OD2 ASP C 340 5.696 -9.826 -4.981 1.00 0.00 O ATOM 0 H ASP C 340 8.844 -7.411 -6.933 1.00 0.00 H new ATOM 0 HA ASP C 340 6.598 -5.917 -6.650 1.00 0.00 H new ATOM 0 HB2 ASP C 340 5.662 -7.005 -4.437 1.00 0.00 H new ATOM 0 HB3 ASP C 340 5.088 -7.586 -5.988 1.00 0.00 H new ATOM 192 N CYS C 341 8.187 -4.759 -5.133 1.00 0.00 N ATOM 193 CA CYS C 341 9.037 -4.026 -4.209 1.00 0.00 C ATOM 194 C CYS C 341 8.351 -3.855 -2.862 1.00 0.00 C ATOM 195 O CYS C 341 7.131 -3.946 -2.763 1.00 0.00 O ATOM 196 CB CYS C 341 9.391 -2.654 -4.787 1.00 0.00 C ATOM 197 SG CYS C 341 7.888 -1.757 -5.243 1.00 0.00 S ATOM 0 H CYS C 341 7.761 -4.182 -5.858 1.00 0.00 H new ATOM 0 HA CYS C 341 9.952 -4.600 -4.064 1.00 0.00 H new ATOM 0 HB2 CYS C 341 9.958 -2.079 -4.055 1.00 0.00 H new ATOM 0 HB3 CYS C 341 10.030 -2.774 -5.662 1.00 0.00 H new ATOM 0 HG CYS C 341 8.146 -0.953 -6.231 1.00 0.00 H new ATOM 202 N ALA C 342 9.148 -3.603 -1.834 1.00 0.00 N ATOM 203 CA ALA C 342 8.614 -3.415 -0.490 1.00 0.00 C ATOM 204 C ALA C 342 8.053 -2.001 -0.328 1.00 0.00 C ATOM 205 O ALA C 342 7.538 -1.647 0.733 1.00 0.00 O ATOM 206 CB ALA C 342 9.728 -3.658 0.540 1.00 0.00 C ATOM 0 H ALA C 342 10.163 -3.524 -1.902 1.00 0.00 H new ATOM 0 HA ALA C 342 7.805 -4.127 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA C 342 9.331 -3.518 1.545 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.103 -4.676 0.437 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.541 -2.953 0.370 1.00 0.00 H new ATOM 212 N ILE C 343 8.170 -1.193 -1.378 1.00 0.00 N ATOM 213 CA ILE C 343 7.683 0.181 -1.329 1.00 0.00 C ATOM 214 C ILE C 343 6.177 0.243 -1.567 1.00 0.00 C ATOM 215 O ILE C 343 5.396 0.404 -0.629 1.00 0.00 O ATOM 216 CB ILE C 343 8.398 1.025 -2.387 1.00 0.00 C ATOM 217 CG1 ILE C 343 9.890 1.096 -2.056 1.00 0.00 C ATOM 218 CG2 ILE C 343 7.811 2.440 -2.399 1.00 0.00 C ATOM 219 CD1 ILE C 343 10.647 1.701 -3.239 1.00 0.00 C ATOM 0 H ILE C 343 8.594 -1.463 -2.266 1.00 0.00 H new ATOM 0 HA ILE C 343 7.893 0.576 -0.335 1.00 0.00 H new ATOM 0 HB ILE C 343 8.262 0.569 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.047 1.701 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.273 0.099 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.321 3.039 -3.153 1.00 0.00 H new ATOM 0 HG22 ILE C 343 6.748 2.391 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE C 343 7.946 2.898 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE C 343 11.710 1.752 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE C 343 10.500 1.078 -4.122 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.271 2.705 -3.437 1.00 0.00 H new ATOM 231 N CYS C 344 5.776 0.117 -2.829 1.00 0.00 N ATOM 232 CA CYS C 344 4.361 0.166 -3.185 1.00 0.00 C ATOM 233 C CYS C 344 3.733 -1.219 -3.076 1.00 0.00 C ATOM 234 O CYS C 344 2.560 -1.407 -3.399 1.00 0.00 O ATOM 235 CB CYS C 344 4.205 0.690 -4.613 1.00 0.00 C ATOM 236 SG CYS C 344 5.112 -0.381 -5.758 1.00 0.00 S ATOM 0 H CYS C 344 6.407 -0.019 -3.619 1.00 0.00 H new ATOM 0 HA CYS C 344 3.852 0.837 -2.493 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.150 0.720 -4.886 1.00 0.00 H new ATOM 0 HB3 CYS C 344 4.581 1.711 -4.679 1.00 0.00 H new ATOM 0 HG CYS C 344 6.242 -0.732 -5.221 1.00 0.00 H new ATOM 241 N TRP C 345 4.520 -2.189 -2.618 1.00 0.00 N ATOM 242 CA TRP C 345 4.022 -3.553 -2.472 1.00 0.00 C ATOM 243 C TRP C 345 3.306 -4.002 -3.742 1.00 0.00 C ATOM 244 O TRP C 345 2.622 -5.025 -3.751 1.00 0.00 O ATOM 245 CB TRP C 345 3.058 -3.632 -1.288 1.00 0.00 C ATOM 246 CG TRP C 345 3.643 -2.908 -0.117 1.00 0.00 C ATOM 247 CD1 TRP C 345 4.636 -3.384 0.672 1.00 0.00 C ATOM 248 CD2 TRP C 345 3.295 -1.596 0.409 1.00 0.00 C ATOM 249 NE1 TRP C 345 4.917 -2.445 1.649 1.00 0.00 N ATOM 250 CE2 TRP C 345 4.117 -1.326 1.529 1.00 0.00 C ATOM 251 CE3 TRP C 345 2.354 -0.623 0.027 1.00 0.00 C ATOM 252 CZ2 TRP C 345 4.009 -0.133 2.245 1.00 0.00 C ATOM 253 CZ3 TRP C 345 2.244 0.579 0.746 1.00 0.00 C ATOM 254 CH2 TRP C 345 3.070 0.822 1.852 1.00 0.00 C ATOM 0 H TRP C 345 5.494 -2.058 -2.345 1.00 0.00 H new ATOM 0 HA TRP C 345 4.872 -4.212 -2.295 1.00 0.00 H new ATOM 0 HB2 TRP C 345 2.098 -3.192 -1.558 1.00 0.00 H new ATOM 0 HB3 TRP C 345 2.870 -4.674 -1.028 1.00 0.00 H new ATOM 0 HD1 TRP C 345 5.127 -4.339 0.557 1.00 0.00 H new ATOM 0 HE1 TRP C 345 5.628 -2.565 2.370 1.00 0.00 H new ATOM 0 HE3 TRP C 345 1.713 -0.801 -0.824 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 4.647 0.050 3.097 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 1.519 1.320 0.445 1.00 0.00 H new ATOM 0 HH2 TRP C 345 2.980 1.748 2.400 1.00 0.00 H new ATOM 265 N ASP C 346 3.466 -3.228 -4.810 1.00 0.00 N ATOM 266 CA ASP C 346 2.827 -3.554 -6.081 1.00 0.00 C ATOM 267 C ASP C 346 3.571 -4.696 -6.765 1.00 0.00 C ATOM 268 O ASP C 346 4.386 -5.374 -6.143 1.00 0.00 O ATOM 269 CB ASP C 346 2.819 -2.323 -6.993 1.00 0.00 C ATOM 270 CG ASP C 346 1.816 -2.514 -8.127 1.00 0.00 C ATOM 271 OD1 ASP C 346 0.796 -3.142 -7.891 1.00 0.00 O ATOM 272 OD2 ASP C 346 2.086 -2.037 -9.216 1.00 0.00 O ATOM 0 H ASP C 346 4.028 -2.377 -4.822 1.00 0.00 H new ATOM 0 HA ASP C 346 1.800 -3.864 -5.888 1.00 0.00 H new ATOM 0 HB2 ASP C 346 2.561 -1.435 -6.416 1.00 0.00 H new ATOM 0 HB3 ASP C 346 3.816 -2.159 -7.403 1.00 0.00 H new ATOM 277 N SER C 347 3.286 -4.904 -8.050 1.00 0.00 N ATOM 278 CA SER C 347 3.936 -5.967 -8.812 1.00 0.00 C ATOM 279 C SER C 347 4.097 -5.551 -10.272 1.00 0.00 C ATOM 280 O SER C 347 3.149 -5.082 -10.902 1.00 0.00 O ATOM 281 CB SER C 347 3.097 -7.241 -8.739 1.00 0.00 C ATOM 282 OG SER C 347 2.886 -7.584 -7.376 1.00 0.00 O ATOM 0 H SER C 347 2.613 -4.353 -8.582 1.00 0.00 H new ATOM 0 HA SER C 347 4.921 -6.151 -8.383 1.00 0.00 H new ATOM 0 HB2 SER C 347 2.141 -7.090 -9.241 1.00 0.00 H new ATOM 0 HB3 SER C 347 3.604 -8.055 -9.257 1.00 0.00 H new ATOM 0 HG SER C 347 2.347 -8.401 -7.324 1.00 0.00 H new ATOM 288 N MET C 348 5.301 -5.735 -10.806 1.00 0.00 N ATOM 289 CA MET C 348 5.580 -5.384 -12.196 1.00 0.00 C ATOM 290 C MET C 348 6.717 -6.240 -12.741 1.00 0.00 C ATOM 291 O MET C 348 7.623 -6.634 -12.006 1.00 0.00 O ATOM 292 CB MET C 348 5.956 -3.904 -12.298 1.00 0.00 C ATOM 293 CG MET C 348 5.947 -3.464 -13.763 1.00 0.00 C ATOM 294 SD MET C 348 4.244 -3.440 -14.375 1.00 0.00 S ATOM 295 CE MET C 348 3.887 -1.710 -13.983 1.00 0.00 C ATOM 0 H MET C 348 6.097 -6.124 -10.300 1.00 0.00 H new ATOM 0 HA MET C 348 4.683 -5.569 -12.787 1.00 0.00 H new ATOM 0 HB2 MET C 348 5.253 -3.301 -11.724 1.00 0.00 H new ATOM 0 HB3 MET C 348 6.943 -3.740 -11.866 1.00 0.00 H new ATOM 0 HG2 MET C 348 6.393 -2.474 -13.859 1.00 0.00 H new ATOM 0 HG3 MET C 348 6.551 -4.146 -14.362 1.00 0.00 H new ATOM 0 HE1 MET C 348 2.866 -1.472 -14.282 1.00 0.00 H new ATOM 0 HE2 MET C 348 3.997 -1.550 -12.910 1.00 0.00 H new ATOM 0 HE3 MET C 348 4.582 -1.064 -14.520 1.00 0.00 H new ATOM 305 N GLN C 349 6.668 -6.520 -14.036 1.00 0.00 N ATOM 306 CA GLN C 349 7.698 -7.327 -14.674 1.00 0.00 C ATOM 307 C GLN C 349 9.052 -6.629 -14.594 1.00 0.00 C ATOM 308 O GLN C 349 10.095 -7.284 -14.549 1.00 0.00 O ATOM 309 CB GLN C 349 7.336 -7.570 -16.142 1.00 0.00 C ATOM 310 CG GLN C 349 6.087 -8.453 -16.225 1.00 0.00 C ATOM 311 CD GLN C 349 6.407 -9.856 -15.719 1.00 0.00 C ATOM 312 OE1 GLN C 349 7.320 -10.505 -16.227 1.00 0.00 O ATOM 313 NE2 GLN C 349 5.711 -10.361 -14.737 1.00 0.00 N ATOM 0 H GLN C 349 5.929 -6.202 -14.663 1.00 0.00 H new ATOM 0 HA GLN C 349 7.761 -8.281 -14.151 1.00 0.00 H new ATOM 0 HB2 GLN C 349 7.156 -6.620 -16.644 1.00 0.00 H new ATOM 0 HB3 GLN C 349 8.168 -8.050 -16.657 1.00 0.00 H new ATOM 0 HG2 GLN C 349 5.283 -8.018 -15.631 1.00 0.00 H new ATOM 0 HG3 GLN C 349 5.733 -8.501 -17.255 1.00 0.00 H new ATOM 0 HE21 GLN C 349 4.954 -9.821 -14.317 1.00 0.00 H new ATOM 0 HE22 GLN C 349 5.924 -11.296 -14.389 1.00 0.00 H new ATOM 322 N ALA C 350 9.035 -5.299 -14.583 1.00 0.00 N ATOM 323 CA ALA C 350 10.274 -4.539 -14.511 1.00 0.00 C ATOM 324 C ALA C 350 10.881 -4.629 -13.117 1.00 0.00 C ATOM 325 O ALA C 350 10.180 -4.478 -12.114 1.00 0.00 O ATOM 326 CB ALA C 350 10.002 -3.077 -14.854 1.00 0.00 C ATOM 0 H ALA C 350 8.187 -4.733 -14.623 1.00 0.00 H new ATOM 0 HA ALA C 350 10.979 -4.960 -15.227 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.932 -2.511 -14.799 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.595 -3.010 -15.863 1.00 0.00 H new ATOM 0 HB3 ALA C 350 9.284 -2.664 -14.145 1.00 0.00 H new ATOM 332 N ALA C 351 12.187 -4.873 -13.058 1.00 0.00 N ATOM 333 CA ALA C 351 12.891 -4.983 -11.780 1.00 0.00 C ATOM 334 C ALA C 351 14.268 -4.348 -11.879 1.00 0.00 C ATOM 335 O ALA C 351 14.953 -4.486 -12.888 1.00 0.00 O ATOM 336 CB ALA C 351 13.022 -6.449 -11.387 1.00 0.00 C ATOM 0 H ALA C 351 12.780 -4.998 -13.878 1.00 0.00 H new ATOM 0 HA ALA C 351 12.318 -4.457 -11.017 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.547 -6.525 -10.435 1.00 0.00 H new ATOM 0 HB2 ALA C 351 12.030 -6.890 -11.291 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.583 -6.983 -12.154 1.00 0.00 H new ATOM 342 N ARG C 352 14.671 -3.650 -10.824 1.00 0.00 N ATOM 343 CA ARG C 352 15.975 -3.000 -10.809 1.00 0.00 C ATOM 344 C ARG C 352 16.562 -3.050 -9.411 1.00 0.00 C ATOM 345 O ARG C 352 15.832 -3.000 -8.427 1.00 0.00 O ATOM 346 CB ARG C 352 15.846 -1.553 -11.278 1.00 0.00 C ATOM 347 CG ARG C 352 17.237 -0.917 -11.363 1.00 0.00 C ATOM 348 CD ARG C 352 17.182 0.317 -12.269 1.00 0.00 C ATOM 349 NE ARG C 352 18.451 1.033 -12.227 1.00 0.00 N ATOM 350 CZ ARG C 352 18.578 2.233 -12.781 1.00 0.00 C ATOM 351 NH1 ARG C 352 17.557 2.782 -13.381 1.00 0.00 N ATOM 352 NH2 ARG C 352 19.720 2.858 -12.727 1.00 0.00 N ATOM 0 H ARG C 352 14.120 -3.520 -9.976 1.00 0.00 H new ATOM 0 HA ARG C 352 16.643 -3.528 -11.490 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.358 -1.517 -12.252 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.219 -0.990 -10.587 1.00 0.00 H new ATOM 0 HG2 ARG C 352 17.581 -0.635 -10.368 1.00 0.00 H new ATOM 0 HG3 ARG C 352 17.954 -1.638 -11.756 1.00 0.00 H new ATOM 0 HD2 ARG C 352 16.961 0.015 -13.293 1.00 0.00 H new ATOM 0 HD3 ARG C 352 16.374 0.976 -11.949 1.00 0.00 H new ATOM 0 HE ARG C 352 19.254 0.606 -11.765 1.00 0.00 H new ATOM 0 HH11 ARG C 352 16.665 2.289 -13.423 1.00 0.00 H new ATOM 0 HH12 ARG C 352 17.651 3.704 -13.808 1.00 0.00 H new ATOM 0 HH21 ARG C 352 20.516 2.425 -12.259 1.00 0.00 H new ATOM 0 HH22 ARG C 352 19.818 3.780 -13.153 1.00 0.00 H new ATOM 366 N LYS C 353 17.889 -3.159 -9.327 1.00 0.00 N ATOM 367 CA LYS C 353 18.562 -3.229 -8.031 1.00 0.00 C ATOM 368 C LYS C 353 19.313 -1.949 -7.735 1.00 0.00 C ATOM 369 O LYS C 353 20.158 -1.519 -8.520 1.00 0.00 O ATOM 370 CB LYS C 353 19.537 -4.406 -8.012 1.00 0.00 C ATOM 371 CG LYS C 353 20.284 -4.447 -6.668 1.00 0.00 C ATOM 372 CD LYS C 353 21.271 -5.616 -6.651 1.00 0.00 C ATOM 373 CE LYS C 353 20.541 -6.934 -6.377 1.00 0.00 C ATOM 374 NZ LYS C 353 21.543 -7.998 -6.090 1.00 0.00 N ATOM 0 H LYS C 353 18.513 -3.200 -10.133 1.00 0.00 H new ATOM 0 HA LYS C 353 17.800 -3.369 -7.264 1.00 0.00 H new ATOM 0 HB2 LYS C 353 18.996 -5.340 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.250 -4.312 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS C 353 20.816 -3.509 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.571 -4.551 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS C 353 21.791 -5.674 -7.607 1.00 0.00 H new ATOM 0 HD3 LYS C 353 22.029 -5.448 -5.886 1.00 0.00 H new ATOM 0 HE2 LYS C 353 19.863 -6.819 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS C 353 19.933 -7.213 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 21.052 -8.896 -5.903 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 22.173 -8.112 -6.910 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 22.104 -7.730 -5.256 1.00 0.00 H new ATOM 388 N LEU C 354 19.011 -1.334 -6.596 1.00 0.00 N ATOM 389 CA LEU C 354 19.672 -0.095 -6.228 1.00 0.00 C ATOM 390 C LEU C 354 21.175 -0.329 -6.055 1.00 0.00 C ATOM 391 O LEU C 354 21.609 -1.449 -5.789 1.00 0.00 O ATOM 392 CB LEU C 354 19.069 0.433 -4.906 1.00 0.00 C ATOM 393 CG LEU C 354 17.764 1.201 -5.154 1.00 0.00 C ATOM 394 CD1 LEU C 354 16.975 1.299 -3.838 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.052 2.621 -5.671 1.00 0.00 C ATOM 0 H LEU C 354 18.322 -1.670 -5.923 1.00 0.00 H new ATOM 0 HA LEU C 354 19.521 0.640 -7.018 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.879 -0.402 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.788 1.085 -4.411 1.00 0.00 H new ATOM 0 HG LEU C 354 17.185 0.665 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.047 1.844 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.745 0.297 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.573 1.826 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.111 3.145 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU C 354 18.643 3.164 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU C 354 18.607 2.562 -6.608 1.00 0.00 H new ATOM 407 N PRO C 355 21.970 0.705 -6.201 1.00 0.00 N ATOM 408 CA PRO C 355 23.451 0.608 -6.060 1.00 0.00 C ATOM 409 C PRO C 355 23.855 0.117 -4.667 1.00 0.00 C ATOM 410 O PRO C 355 25.013 -0.234 -4.438 1.00 0.00 O ATOM 411 CB PRO C 355 23.948 2.048 -6.334 1.00 0.00 C ATOM 412 CG PRO C 355 22.751 2.923 -6.112 1.00 0.00 C ATOM 413 CD PRO C 355 21.553 2.081 -6.528 1.00 0.00 C ATOM 0 HA PRO C 355 23.890 -0.117 -6.746 1.00 0.00 H new ATOM 0 HB2 PRO C 355 24.764 2.318 -5.663 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.326 2.148 -7.351 1.00 0.00 H new ATOM 0 HG2 PRO C 355 22.674 3.227 -5.068 1.00 0.00 H new ATOM 0 HG3 PRO C 355 22.815 3.835 -6.705 1.00 0.00 H new ATOM 0 HD2 PRO C 355 20.653 2.368 -5.984 1.00 0.00 H new ATOM 0 HD3 PRO C 355 21.333 2.192 -7.590 1.00 0.00 H new ATOM 421 N CYS C 356 22.896 0.094 -3.737 1.00 0.00 N ATOM 422 CA CYS C 356 23.180 -0.359 -2.376 1.00 0.00 C ATOM 423 C CYS C 356 22.938 -1.863 -2.241 1.00 0.00 C ATOM 424 O CYS C 356 23.888 -2.641 -2.126 1.00 0.00 O ATOM 425 CB CYS C 356 22.306 0.403 -1.375 1.00 0.00 C ATOM 426 SG CYS C 356 20.588 0.437 -1.946 1.00 0.00 S ATOM 0 H CYS C 356 21.930 0.380 -3.899 1.00 0.00 H new ATOM 0 HA CYS C 356 24.230 -0.159 -2.161 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.362 -0.073 -0.396 1.00 0.00 H new ATOM 0 HB3 CYS C 356 22.678 1.421 -1.257 1.00 0.00 H new ATOM 0 HG CYS C 356 20.080 1.613 -1.725 1.00 0.00 H new ATOM 431 N GLY C 357 21.672 -2.271 -2.256 1.00 0.00 N ATOM 432 CA GLY C 357 21.328 -3.684 -2.132 1.00 0.00 C ATOM 433 C GLY C 357 19.827 -3.848 -1.911 1.00 0.00 C ATOM 434 O GLY C 357 19.393 -4.376 -0.886 1.00 0.00 O ATOM 0 H GLY C 357 20.871 -1.647 -2.352 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.630 -4.219 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.875 -4.127 -1.300 1.00 0.00 H new ATOM 438 N HIS C 358 19.035 -3.423 -2.894 1.00 0.00 N ATOM 439 CA HIS C 358 17.582 -3.535 -2.807 1.00 0.00 C ATOM 440 C HIS C 358 16.990 -3.682 -4.196 1.00 0.00 C ATOM 441 O HIS C 358 17.499 -3.095 -5.136 1.00 0.00 O ATOM 442 CB HIS C 358 17.008 -2.285 -2.148 1.00 0.00 C ATOM 443 CG HIS C 358 17.357 -2.297 -0.691 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.379 -1.520 -0.156 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.836 -3.011 0.356 1.00 0.00 C ATOM 446 CE1 HIS C 358 18.435 -1.794 1.161 1.00 0.00 C ATOM 447 NE2 HIS C 358 17.517 -2.695 1.523 1.00 0.00 N ATOM 0 H HIS C 358 19.375 -2.999 -3.757 1.00 0.00 H new ATOM 0 HA HIS C 358 17.331 -4.412 -2.211 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.410 -1.390 -2.624 1.00 0.00 H new ATOM 0 HB3 HIS C 358 15.926 -2.255 -2.276 1.00 0.00 H new ATOM 0 HD1 HIS C 358 18.974 -0.866 -0.665 1.00 0.00 H new ATOM 0 HD2 HIS C 358 16.019 -3.713 0.284 1.00 0.00 H new ATOM 0 HE1 HIS C 358 19.138 -1.340 1.843 1.00 0.00 H new ATOM 455 N LEU C 359 15.918 -4.475 -4.323 1.00 0.00 N ATOM 456 CA LEU C 359 15.282 -4.703 -5.631 1.00 0.00 C ATOM 457 C LEU C 359 14.019 -3.869 -5.790 1.00 0.00 C ATOM 458 O LEU C 359 13.024 -4.122 -5.110 1.00 0.00 O ATOM 459 CB LEU C 359 14.889 -6.173 -5.734 1.00 0.00 C ATOM 460 CG LEU C 359 16.082 -7.061 -5.371 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.648 -8.529 -5.367 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.202 -6.859 -6.393 1.00 0.00 C ATOM 0 H LEU C 359 15.475 -4.966 -3.546 1.00 0.00 H new ATOM 0 HA LEU C 359 15.993 -4.420 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.053 -6.382 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.552 -6.398 -6.746 1.00 0.00 H new ATOM 0 HG LEU C 359 16.445 -6.790 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.499 -9.159 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU C 359 14.854 -8.672 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.281 -8.803 -6.356 1.00 0.00 H new ATOM 0 HD21 LEU C 359 18.050 -7.492 -6.133 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.841 -7.126 -7.386 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.514 -5.815 -6.389 1.00 0.00 H new ATOM 474 N PHE C 360 14.070 -2.877 -6.688 1.00 0.00 N ATOM 475 CA PHE C 360 12.950 -1.966 -6.944 1.00 0.00 C ATOM 476 C PHE C 360 12.605 -1.945 -8.418 1.00 0.00 C ATOM 477 O PHE C 360 13.462 -2.090 -9.296 1.00 0.00 O ATOM 478 CB PHE C 360 13.370 -0.561 -6.461 1.00 0.00 C ATOM 479 CG PHE C 360 13.289 -0.420 -4.932 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.677 -1.385 -4.082 1.00 0.00 C ATOM 481 CD2 PHE C 360 13.934 0.669 -4.345 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.715 -1.229 -2.688 1.00 0.00 C ATOM 483 CE2 PHE C 360 13.959 0.819 -2.953 1.00 0.00 C ATOM 484 CZ PHE C 360 13.355 -0.127 -2.128 1.00 0.00 C ATOM 0 H PHE C 360 14.893 -2.684 -7.259 1.00 0.00 H new ATOM 0 HA PHE C 360 12.061 -2.299 -6.409 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.389 -0.356 -6.789 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.729 0.187 -6.927 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.181 -2.242 -4.513 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.419 1.404 -4.971 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.248 -1.964 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.451 1.675 -2.515 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.383 -0.006 -1.055 1.00 0.00 H new ATOM 494 N HIS C 361 11.318 -1.786 -8.662 1.00 0.00 N ATOM 495 CA HIS C 361 10.806 -1.772 -10.008 1.00 0.00 C ATOM 496 C HIS C 361 11.368 -0.586 -10.758 1.00 0.00 C ATOM 497 O HIS C 361 11.733 0.420 -10.160 1.00 0.00 O ATOM 498 CB HIS C 361 9.276 -1.704 -10.002 1.00 0.00 C ATOM 499 CG HIS C 361 8.722 -2.678 -9.003 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.506 -2.469 -8.370 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.198 -3.872 -8.517 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.294 -3.508 -7.549 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.294 -4.394 -7.599 1.00 0.00 N ATOM 0 H HIS C 361 10.610 -1.665 -7.938 1.00 0.00 H new ATOM 0 HA HIS C 361 11.111 -2.693 -10.505 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.950 -0.693 -9.756 1.00 0.00 H new ATOM 0 HB3 HIS C 361 8.890 -1.931 -10.996 1.00 0.00 H new ATOM 0 HD1 HIS C 361 6.886 -1.670 -8.504 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.131 -4.334 -8.804 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.421 -3.616 -6.923 1.00 0.00 H new ATOM 511 N ASN C 362 11.442 -0.710 -12.068 1.00 0.00 N ATOM 512 CA ASN C 362 11.975 0.365 -12.884 1.00 0.00 C ATOM 513 C ASN C 362 11.149 1.629 -12.682 1.00 0.00 C ATOM 514 O ASN C 362 11.695 2.726 -12.576 1.00 0.00 O ATOM 515 CB ASN C 362 11.949 -0.041 -14.358 1.00 0.00 C ATOM 516 CG ASN C 362 12.462 1.103 -15.231 1.00 0.00 C ATOM 517 OD1 ASN C 362 13.293 1.895 -14.791 1.00 0.00 O ATOM 518 ND2 ASN C 362 12.009 1.232 -16.448 1.00 0.00 N ATOM 0 H ASN C 362 11.143 -1.535 -12.587 1.00 0.00 H new ATOM 0 HA ASN C 362 13.005 0.561 -12.585 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.565 -0.928 -14.509 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.933 -0.305 -14.652 1.00 0.00 H new ATOM 0 HD21 ASN C 362 12.344 1.993 -17.039 1.00 0.00 H new ATOM 0 HD22 ASN C 362 11.320 0.572 -16.808 1.00 0.00 H new ATOM 525 N SER C 363 9.833 1.475 -12.625 1.00 0.00 N ATOM 526 CA SER C 363 8.952 2.617 -12.427 1.00 0.00 C ATOM 527 C SER C 363 9.080 3.166 -11.010 1.00 0.00 C ATOM 528 O SER C 363 9.162 4.379 -10.810 1.00 0.00 O ATOM 529 CB SER C 363 7.507 2.202 -12.679 1.00 0.00 C ATOM 530 OG SER C 363 7.349 1.855 -14.048 1.00 0.00 O ATOM 0 H SER C 363 9.355 0.578 -12.712 1.00 0.00 H new ATOM 0 HA SER C 363 9.242 3.398 -13.130 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.244 1.355 -12.045 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.832 3.017 -12.418 1.00 0.00 H new ATOM 0 HG SER C 363 6.421 1.586 -14.212 1.00 0.00 H new ATOM 536 N CYS C 364 9.089 2.266 -10.033 1.00 0.00 N ATOM 537 CA CYS C 364 9.198 2.672 -8.635 1.00 0.00 C ATOM 538 C CYS C 364 10.563 3.287 -8.357 1.00 0.00 C ATOM 539 O CYS C 364 10.661 4.356 -7.753 1.00 0.00 O ATOM 540 CB CYS C 364 9.005 1.463 -7.714 1.00 0.00 C ATOM 541 SG CYS C 364 7.330 0.808 -7.899 1.00 0.00 S ATOM 0 H CYS C 364 9.023 1.259 -10.180 1.00 0.00 H new ATOM 0 HA CYS C 364 8.422 3.412 -8.441 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.735 0.691 -7.956 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.179 1.753 -6.678 1.00 0.00 H new ATOM 0 HG CYS C 364 6.868 0.462 -6.734 1.00 0.00 H new ATOM 546 N LEU C 365 11.617 2.598 -8.777 1.00 0.00 N ATOM 547 CA LEU C 365 12.965 3.088 -8.538 1.00 0.00 C ATOM 548 C LEU C 365 13.198 4.408 -9.277 1.00 0.00 C ATOM 549 O LEU C 365 13.708 5.371 -8.711 1.00 0.00 O ATOM 550 CB LEU C 365 13.988 2.029 -9.002 1.00 0.00 C ATOM 551 CG LEU C 365 15.272 2.125 -8.173 1.00 0.00 C ATOM 552 CD1 LEU C 365 16.289 1.116 -8.687 1.00 0.00 C ATOM 553 CD2 LEU C 365 15.846 3.539 -8.250 1.00 0.00 C ATOM 0 H LEU C 365 11.565 1.711 -9.278 1.00 0.00 H new ATOM 0 HA LEU C 365 13.091 3.269 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.558 1.032 -8.904 1.00 0.00 H new ATOM 0 HB3 LEU C 365 14.218 2.175 -10.058 1.00 0.00 H new ATOM 0 HG LEU C 365 15.042 1.901 -7.131 1.00 0.00 H new ATOM 0 HD11 LEU C 365 17.202 1.186 -8.096 1.00 0.00 H new ATOM 0 HD12 LEU C 365 15.878 0.110 -8.602 1.00 0.00 H new ATOM 0 HD13 LEU C 365 16.516 1.328 -9.732 1.00 0.00 H new ATOM 0 HD21 LEU C 365 16.759 3.594 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.073 3.784 -9.288 1.00 0.00 H new ATOM 0 HD23 LEU C 365 15.117 4.249 -7.861 1.00 0.00 H new ATOM 565 N ARG C 366 12.813 4.444 -10.547 1.00 0.00 N ATOM 566 CA ARG C 366 12.995 5.645 -11.349 1.00 0.00 C ATOM 567 C ARG C 366 12.253 6.812 -10.721 1.00 0.00 C ATOM 568 O ARG C 366 12.794 7.911 -10.596 1.00 0.00 O ATOM 569 CB ARG C 366 12.490 5.398 -12.772 1.00 0.00 C ATOM 570 CG ARG C 366 12.757 6.629 -13.637 1.00 0.00 C ATOM 571 CD ARG C 366 12.264 6.368 -15.064 1.00 0.00 C ATOM 572 NE ARG C 366 13.047 5.304 -15.678 1.00 0.00 N ATOM 573 CZ ARG C 366 14.228 5.553 -16.237 1.00 0.00 C ATOM 574 NH1 ARG C 366 14.704 6.768 -16.240 1.00 0.00 N ATOM 575 NH2 ARG C 366 14.911 4.584 -16.784 1.00 0.00 N ATOM 0 H ARG C 366 12.377 3.664 -11.039 1.00 0.00 H new ATOM 0 HA ARG C 366 14.056 5.890 -11.388 1.00 0.00 H new ATOM 0 HB2 ARG C 366 12.988 4.527 -13.199 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.423 5.178 -12.756 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.249 7.498 -13.219 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.823 6.857 -13.645 1.00 0.00 H new ATOM 0 HD2 ARG C 366 11.210 6.091 -15.048 1.00 0.00 H new ATOM 0 HD3 ARG C 366 12.345 7.279 -15.657 1.00 0.00 H new ATOM 0 HE ARG C 366 12.683 4.351 -15.679 1.00 0.00 H new ATOM 0 HH11 ARG C 366 14.171 7.526 -15.814 1.00 0.00 H new ATOM 0 HH12 ARG C 366 15.610 6.960 -16.668 1.00 0.00 H new ATOM 0 HH21 ARG C 366 14.539 3.634 -16.783 1.00 0.00 H new ATOM 0 HH22 ARG C 366 15.816 4.777 -17.212 1.00 0.00 H new ATOM 589 N SER C 367 11.015 6.567 -10.326 1.00 0.00 N ATOM 590 CA SER C 367 10.208 7.607 -9.713 1.00 0.00 C ATOM 591 C SER C 367 10.916 8.156 -8.481 1.00 0.00 C ATOM 592 O SER C 367 10.914 9.363 -8.237 1.00 0.00 O ATOM 593 CB SER C 367 8.840 7.052 -9.317 1.00 0.00 C ATOM 594 OG SER C 367 8.063 8.091 -8.736 1.00 0.00 O ATOM 0 H SER C 367 10.550 5.664 -10.418 1.00 0.00 H new ATOM 0 HA SER C 367 10.068 8.411 -10.435 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.331 6.648 -10.192 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.958 6.231 -8.609 1.00 0.00 H new ATOM 0 HG SER C 367 7.184 7.739 -8.482 1.00 0.00 H new ATOM 600 N TRP C 368 11.521 7.261 -7.711 1.00 0.00 N ATOM 601 CA TRP C 368 12.233 7.670 -6.509 1.00 0.00 C ATOM 602 C TRP C 368 13.415 8.569 -6.864 1.00 0.00 C ATOM 603 O TRP C 368 13.615 9.620 -6.255 1.00 0.00 O ATOM 604 CB TRP C 368 12.738 6.428 -5.755 1.00 0.00 C ATOM 605 CG TRP C 368 12.960 6.765 -4.312 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.164 6.816 -3.698 1.00 0.00 C ATOM 607 CD2 TRP C 368 11.970 7.104 -3.302 1.00 0.00 C ATOM 608 NE1 TRP C 368 13.975 7.158 -2.372 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.639 7.349 -2.082 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.569 7.218 -3.326 1.00 0.00 C ATOM 611 CZ2 TRP C 368 11.943 7.700 -0.925 1.00 0.00 C ATOM 612 CZ3 TRP C 368 9.864 7.570 -2.165 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.550 7.811 -0.966 1.00 0.00 C ATOM 0 H TRP C 368 11.533 6.258 -7.895 1.00 0.00 H new ATOM 0 HA TRP C 368 11.547 8.229 -5.873 1.00 0.00 H new ATOM 0 HB2 TRP C 368 12.013 5.619 -5.841 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.667 6.073 -6.202 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.117 6.621 -4.167 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.729 7.257 -1.692 1.00 0.00 H new ATOM 0 HE3 TRP C 368 10.032 7.033 -4.244 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.476 7.885 -0.004 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 8.788 7.656 -2.195 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.003 8.082 -0.075 1.00 0.00 H new ATOM 624 N LEU C 369 14.199 8.139 -7.848 1.00 0.00 N ATOM 625 CA LEU C 369 15.369 8.909 -8.267 1.00 0.00 C ATOM 626 C LEU C 369 14.943 10.238 -8.875 1.00 0.00 C ATOM 627 O LEU C 369 15.579 11.269 -8.656 1.00 0.00 O ATOM 628 CB LEU C 369 16.192 8.119 -9.285 1.00 0.00 C ATOM 629 CG LEU C 369 16.691 6.808 -8.653 1.00 0.00 C ATOM 630 CD1 LEU C 369 17.497 6.023 -9.689 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.558 7.082 -7.408 1.00 0.00 C ATOM 0 H LEU C 369 14.050 7.273 -8.366 1.00 0.00 H new ATOM 0 HA LEU C 369 15.982 9.102 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.586 7.901 -10.164 1.00 0.00 H new ATOM 0 HB3 LEU C 369 17.040 8.716 -9.622 1.00 0.00 H new ATOM 0 HG LEU C 369 15.827 6.224 -8.336 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.852 5.093 -9.245 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.864 5.797 -10.547 1.00 0.00 H new ATOM 0 HD13 LEU C 369 18.350 6.619 -10.014 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.895 6.136 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.423 7.681 -7.692 1.00 0.00 H new ATOM 0 HD23 LEU C 369 16.970 7.622 -6.667 1.00 0.00 H new ATOM 643 N GLU C 370 13.854 10.205 -9.631 1.00 0.00 N ATOM 644 CA GLU C 370 13.344 11.415 -10.261 1.00 0.00 C ATOM 645 C GLU C 370 12.831 12.397 -9.217 1.00 0.00 C ATOM 646 O GLU C 370 13.133 13.588 -9.270 1.00 0.00 O ATOM 647 CB GLU C 370 12.216 11.065 -11.234 1.00 0.00 C ATOM 648 CG GLU C 370 12.802 10.403 -12.482 1.00 0.00 C ATOM 649 CD GLU C 370 11.678 10.006 -13.433 1.00 0.00 C ATOM 650 OE1 GLU C 370 10.530 10.245 -13.097 1.00 0.00 O ATOM 651 OE2 GLU C 370 11.983 9.466 -14.483 1.00 0.00 O ATOM 0 H GLU C 370 13.311 9.363 -9.822 1.00 0.00 H new ATOM 0 HA GLU C 370 14.163 11.884 -10.807 1.00 0.00 H new ATOM 0 HB2 GLU C 370 11.504 10.394 -10.754 1.00 0.00 H new ATOM 0 HB3 GLU C 370 11.668 11.966 -11.511 1.00 0.00 H new ATOM 0 HG2 GLU C 370 13.487 11.089 -12.981 1.00 0.00 H new ATOM 0 HG3 GLU C 370 13.380 9.523 -12.200 1.00 0.00 H new ATOM 658 N GLN C 371 12.046 11.896 -8.267 1.00 0.00 N ATOM 659 CA GLN C 371 11.490 12.752 -7.222 1.00 0.00 C ATOM 660 C GLN C 371 12.498 12.941 -6.094 1.00 0.00 C ATOM 661 O GLN C 371 12.897 14.068 -5.788 1.00 0.00 O ATOM 662 CB GLN C 371 10.217 12.124 -6.658 1.00 0.00 C ATOM 663 CG GLN C 371 9.498 13.133 -5.759 1.00 0.00 C ATOM 664 CD GLN C 371 8.937 14.275 -6.603 1.00 0.00 C ATOM 665 OE1 GLN C 371 8.423 14.040 -7.697 1.00 0.00 O ATOM 666 NE2 GLN C 371 9.008 15.499 -6.162 1.00 0.00 N ATOM 0 H GLN C 371 11.782 10.913 -8.198 1.00 0.00 H new ATOM 0 HA GLN C 371 11.258 13.723 -7.660 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.561 11.815 -7.472 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.463 11.227 -6.090 1.00 0.00 H new ATOM 0 HG2 GLN C 371 8.691 12.640 -5.217 1.00 0.00 H new ATOM 0 HG3 GLN C 371 10.189 13.526 -5.013 1.00 0.00 H new ATOM 0 HE21 GLN C 371 9.434 15.691 -5.255 1.00 0.00 H new ATOM 0 HE22 GLN C 371 8.637 16.266 -6.723 1.00 0.00 H new ATOM 675 N ASP C 372 12.905 11.832 -5.478 1.00 0.00 N ATOM 676 CA ASP C 372 13.871 11.877 -4.378 1.00 0.00 C ATOM 677 C ASP C 372 15.260 11.510 -4.876 1.00 0.00 C ATOM 678 O ASP C 372 15.729 12.063 -5.865 1.00 0.00 O ATOM 679 CB ASP C 372 13.450 10.918 -3.268 1.00 0.00 C ATOM 680 CG ASP C 372 14.313 11.159 -2.032 1.00 0.00 C ATOM 681 OD1 ASP C 372 15.283 11.893 -2.148 1.00 0.00 O ATOM 682 OD2 ASP C 372 13.992 10.613 -0.991 1.00 0.00 O ATOM 0 H ASP C 372 12.583 10.895 -5.719 1.00 0.00 H new ATOM 0 HA ASP C 372 13.896 12.892 -3.982 1.00 0.00 H new ATOM 0 HB2 ASP C 372 12.398 11.066 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP C 372 13.557 9.887 -3.604 1.00 0.00 H new ATOM 687 N THR C 373 15.907 10.574 -4.186 1.00 0.00 N ATOM 688 CA THR C 373 17.252 10.122 -4.570 1.00 0.00 C ATOM 689 C THR C 373 17.920 9.384 -3.407 1.00 0.00 C ATOM 690 O THR C 373 19.029 8.872 -3.538 1.00 0.00 O ATOM 691 CB THR C 373 18.137 11.324 -5.004 1.00 0.00 C ATOM 692 OG1 THR C 373 17.592 12.528 -4.478 1.00 0.00 O ATOM 693 CG2 THR C 373 18.242 11.433 -6.546 1.00 0.00 C ATOM 0 H THR C 373 15.528 10.112 -3.360 1.00 0.00 H new ATOM 0 HA THR C 373 17.149 9.441 -5.414 1.00 0.00 H new ATOM 0 HB THR C 373 19.141 11.161 -4.611 1.00 0.00 H new ATOM 0 HG1 THR C 373 16.982 12.925 -5.134 1.00 0.00 H new ATOM 0 HG21 THR C 373 18.869 12.285 -6.809 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.684 10.521 -6.946 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.247 11.570 -6.970 1.00 0.00 H new ATOM 701 N SER C 374 17.241 9.347 -2.274 1.00 0.00 N ATOM 702 CA SER C 374 17.779 8.676 -1.095 1.00 0.00 C ATOM 703 C SER C 374 17.326 7.235 -1.054 1.00 0.00 C ATOM 704 O SER C 374 16.367 6.860 -1.722 1.00 0.00 O ATOM 705 CB SER C 374 17.334 9.399 0.173 1.00 0.00 C ATOM 706 OG SER C 374 16.047 8.927 0.556 1.00 0.00 O ATOM 0 H SER C 374 16.322 9.769 -2.142 1.00 0.00 H new ATOM 0 HA SER C 374 18.867 8.699 -1.152 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.051 9.225 0.975 1.00 0.00 H new ATOM 0 HB3 SER C 374 17.303 10.475 0.000 1.00 0.00 H new ATOM 0 HG SER C 374 15.357 9.429 0.073 1.00 0.00 H new ATOM 712 N CYS C 375 18.026 6.427 -0.268 1.00 0.00 N ATOM 713 CA CYS C 375 17.679 5.015 -0.154 1.00 0.00 C ATOM 714 C CYS C 375 16.605 4.797 0.934 1.00 0.00 C ATOM 715 O CYS C 375 16.876 5.002 2.108 1.00 0.00 O ATOM 716 CB CYS C 375 18.915 4.198 0.196 1.00 0.00 C ATOM 717 SG CYS C 375 18.429 2.458 0.274 1.00 0.00 S ATOM 0 H CYS C 375 18.826 6.719 0.293 1.00 0.00 H new ATOM 0 HA CYS C 375 17.281 4.689 -1.115 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.693 4.343 -0.553 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.328 4.522 1.151 1.00 0.00 H new ATOM 0 HG CYS C 375 19.347 1.779 0.895 1.00 0.00 H new ATOM 722 N PRO C 376 15.404 4.384 0.588 1.00 0.00 N ATOM 723 CA PRO C 376 14.314 4.156 1.596 1.00 0.00 C ATOM 724 C PRO C 376 14.760 3.295 2.782 1.00 0.00 C ATOM 725 O PRO C 376 14.242 3.430 3.889 1.00 0.00 O ATOM 726 CB PRO C 376 13.215 3.438 0.794 1.00 0.00 C ATOM 727 CG PRO C 376 13.443 3.821 -0.629 1.00 0.00 C ATOM 728 CD PRO C 376 14.947 4.079 -0.779 1.00 0.00 C ATOM 0 HA PRO C 376 13.990 5.095 2.044 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.277 2.358 0.924 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.223 3.743 1.128 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.118 3.027 -1.301 1.00 0.00 H new ATOM 0 HG3 PRO C 376 12.870 4.711 -0.887 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.461 3.208 -1.185 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.142 4.909 -1.458 1.00 0.00 H new ATOM 736 N THR C 377 15.720 2.409 2.534 1.00 0.00 N ATOM 737 CA THR C 377 16.231 1.517 3.577 1.00 0.00 C ATOM 738 C THR C 377 17.527 2.052 4.165 1.00 0.00 C ATOM 739 O THR C 377 17.573 2.455 5.330 1.00 0.00 O ATOM 740 CB THR C 377 16.462 0.121 2.992 1.00 0.00 C ATOM 741 OG1 THR C 377 15.209 -0.450 2.638 1.00 0.00 O ATOM 742 CG2 THR C 377 17.150 -0.768 4.029 1.00 0.00 C ATOM 0 H THR C 377 16.161 2.287 1.622 1.00 0.00 H new ATOM 0 HA THR C 377 15.492 1.461 4.376 1.00 0.00 H new ATOM 0 HB THR C 377 17.096 0.198 2.109 1.00 0.00 H new ATOM 0 HG1 THR C 377 15.356 -1.305 2.183 1.00 0.00 H new ATOM 0 HG21 THR C 377 17.312 -1.760 3.608 1.00 0.00 H new ATOM 0 HG22 THR C 377 18.109 -0.330 4.305 1.00 0.00 H new ATOM 0 HG23 THR C 377 16.520 -0.848 4.915 1.00 0.00 H new ATOM 750 N CYS C 378 18.582 2.041 3.364 1.00 0.00 N ATOM 751 CA CYS C 378 19.876 2.518 3.831 1.00 0.00 C ATOM 752 C CYS C 378 19.794 3.982 4.264 1.00 0.00 C ATOM 753 O CYS C 378 20.605 4.447 5.064 1.00 0.00 O ATOM 754 CB CYS C 378 20.943 2.352 2.732 1.00 0.00 C ATOM 755 SG CYS C 378 20.566 0.898 1.720 1.00 0.00 S ATOM 0 H CYS C 378 18.570 1.711 2.399 1.00 0.00 H new ATOM 0 HA CYS C 378 20.163 1.918 4.694 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.974 3.244 2.106 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.929 2.245 3.184 1.00 0.00 H new ATOM 0 HG CYS C 378 21.628 0.155 1.615 1.00 0.00 H new ATOM 760 N ARG C 379 18.812 4.699 3.730 1.00 0.00 N ATOM 761 CA ARG C 379 18.636 6.108 4.067 1.00 0.00 C ATOM 762 C ARG C 379 19.856 6.907 3.630 1.00 0.00 C ATOM 763 O ARG C 379 20.097 8.012 4.115 1.00 0.00 O ATOM 764 CB ARG C 379 18.415 6.263 5.580 1.00 0.00 C ATOM 765 CG ARG C 379 17.665 7.570 5.859 1.00 0.00 C ATOM 766 CD ARG C 379 17.600 7.810 7.363 1.00 0.00 C ATOM 767 NE ARG C 379 16.797 6.772 7.999 1.00 0.00 N ATOM 768 CZ ARG C 379 15.472 6.864 8.059 1.00 0.00 C ATOM 769 NH1 ARG C 379 14.867 7.895 7.537 1.00 0.00 N ATOM 770 NH2 ARG C 379 14.779 5.921 8.633 1.00 0.00 N ATOM 0 H ARG C 379 18.130 4.332 3.067 1.00 0.00 H new ATOM 0 HA ARG C 379 17.761 6.490 3.542 1.00 0.00 H new ATOM 0 HB2 ARG C 379 17.845 5.416 5.963 1.00 0.00 H new ATOM 0 HB3 ARG C 379 19.373 6.264 6.099 1.00 0.00 H new ATOM 0 HG2 ARG C 379 18.170 8.403 5.369 1.00 0.00 H new ATOM 0 HG3 ARG C 379 16.658 7.519 5.445 1.00 0.00 H new ATOM 0 HD2 ARG C 379 18.606 7.812 7.783 1.00 0.00 H new ATOM 0 HD3 ARG C 379 17.168 8.790 7.565 1.00 0.00 H new ATOM 0 HE ARG C 379 17.261 5.960 8.406 1.00 0.00 H new ATOM 0 HH11 ARG C 379 15.410 8.629 7.083 1.00 0.00 H new ATOM 0 HH12 ARG C 379 13.851 7.967 7.582 1.00 0.00 H new ATOM 0 HH21 ARG C 379 15.253 5.113 9.036 1.00 0.00 H new ATOM 0 HH22 ARG C 379 13.762 5.991 8.679 1.00 0.00 H new ATOM 784 N MET C 380 20.629 6.335 2.709 1.00 0.00 N ATOM 785 CA MET C 380 21.830 7.004 2.202 1.00 0.00 C ATOM 786 C MET C 380 21.619 7.512 0.781 1.00 0.00 C ATOM 787 O MET C 380 20.995 6.846 -0.045 1.00 0.00 O ATOM 788 CB MET C 380 23.021 6.041 2.237 1.00 0.00 C ATOM 789 CG MET C 380 24.316 6.809 1.945 1.00 0.00 C ATOM 790 SD MET C 380 24.706 7.895 3.345 1.00 0.00 S ATOM 791 CE MET C 380 25.095 6.611 4.564 1.00 0.00 C ATOM 0 H MET C 380 20.449 5.418 2.300 1.00 0.00 H new ATOM 0 HA MET C 380 22.036 7.860 2.844 1.00 0.00 H new ATOM 0 HB2 MET C 380 23.084 5.561 3.213 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.883 5.249 1.501 1.00 0.00 H new ATOM 0 HG2 MET C 380 25.135 6.110 1.774 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.204 7.398 1.035 1.00 0.00 H new ATOM 0 HE1 MET C 380 25.805 7.004 5.292 1.00 0.00 H new ATOM 0 HE2 MET C 380 24.182 6.306 5.075 1.00 0.00 H new ATOM 0 HE3 MET C 380 25.533 5.750 4.059 1.00 0.00 H new ATOM 801 N SER C 381 22.165 8.691 0.500 1.00 0.00 N ATOM 802 CA SER C 381 22.059 9.280 -0.825 1.00 0.00 C ATOM 803 C SER C 381 22.933 8.509 -1.806 1.00 0.00 C ATOM 804 O SER C 381 24.157 8.634 -1.794 1.00 0.00 O ATOM 805 CB SER C 381 22.493 10.746 -0.794 1.00 0.00 C ATOM 806 OG SER C 381 23.889 10.816 -0.545 1.00 0.00 O ATOM 0 H SER C 381 22.684 9.255 1.173 1.00 0.00 H new ATOM 0 HA SER C 381 21.019 9.227 -1.147 1.00 0.00 H new ATOM 0 HB2 SER C 381 22.256 11.228 -1.743 1.00 0.00 H new ATOM 0 HB3 SER C 381 21.946 11.283 -0.019 1.00 0.00 H new ATOM 0 HG SER C 381 24.309 9.966 -0.795 1.00 0.00 H new ATOM 812 N LEU C 382 22.300 7.707 -2.651 1.00 0.00 N ATOM 813 CA LEU C 382 23.036 6.916 -3.625 1.00 0.00 C ATOM 814 C LEU C 382 23.761 7.827 -4.609 1.00 0.00 C ATOM 815 O LEU C 382 23.194 8.803 -5.099 1.00 0.00 O ATOM 816 CB LEU C 382 22.070 6.019 -4.399 1.00 0.00 C ATOM 817 CG LEU C 382 20.927 6.873 -5.041 1.00 0.00 C ATOM 818 CD1 LEU C 382 20.996 6.774 -6.572 1.00 0.00 C ATOM 819 CD2 LEU C 382 19.550 6.378 -4.564 1.00 0.00 C ATOM 0 H LEU C 382 21.287 7.588 -2.682 1.00 0.00 H new ATOM 0 HA LEU C 382 23.766 6.305 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU C 382 22.610 5.479 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU C 382 21.642 5.272 -3.730 1.00 0.00 H new ATOM 0 HG LEU C 382 21.060 7.910 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU C 382 20.197 7.371 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU C 382 21.960 7.147 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.880 5.733 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU C 382 18.767 6.984 -5.021 1.00 0.00 H new ATOM 0 HD22 LEU C 382 19.418 5.336 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU C 382 19.488 6.464 -3.479 1.00 0.00 H new