USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 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 180:sc= 0.707! USER MOD Set 1.2: C 358 HIS : no HE2:sc= 0.432 K(o=0.66,f=-10!) USER MOD Set 1.3: C 375 CYS SG : rot -175:sc= -1.15! USER MOD Set 1.4: C 378 CYS SG : rot 140:sc= 0.673 USER MOD Set 2.1: C 341 CYS SG : rot 153:sc= -6.53! USER MOD Set 2.2: C 344 CYS SG : rot -155:sc= -1.06 USER MOD Set 2.3: C 348 MET CE :methyl -156:sc= -0.121 (180deg=-0.888) USER MOD Set 2.4: C 361 HIS : no HD1:sc= -8.26! C(o=-16!,f=-17!) USER MOD Set 2.5: C 364 CYS SG : rot -137:sc= 0.312 USER MOD Single : C 330 THR OG1 : rot 180:sc= 0.0237 USER MOD Single : C 337 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : C 338 ASN : amide:sc= -3.84! C(o=-3.8!,f=-5.7!) USER MOD Single : C 347 SER OG : rot 37:sc= 0.493 USER MOD Single : C 349 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.21) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 362 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1.6) 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= -0.315 X(o=-0.32,f=-0.8) USER MOD Single : C 373 THR OG1 : rot 58:sc= 0.155 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 -69:sc= 0.0434 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.073 -0.144 -18.246 1.00 0.00 N ATOM 2 CA ALA C 327 17.115 0.164 -17.227 1.00 0.00 C ATOM 3 C ALA C 327 17.328 -1.053 -16.338 1.00 0.00 C ATOM 4 O ALA C 327 18.002 -0.974 -15.313 1.00 0.00 O ATOM 5 CB ALA C 327 16.661 1.350 -16.374 1.00 0.00 C ATOM 0 HA ALA C 327 18.050 0.416 -17.727 1.00 0.00 H new ATOM 0 HB1 ALA C 327 17.424 1.575 -15.628 1.00 0.00 H new ATOM 0 HB2 ALA C 327 16.509 2.220 -17.012 1.00 0.00 H new ATOM 0 HB3 ALA C 327 15.726 1.101 -15.873 1.00 0.00 H new ATOM 11 N VAL C 328 16.754 -2.187 -16.738 1.00 0.00 N ATOM 12 CA VAL C 328 16.888 -3.422 -15.965 1.00 0.00 C ATOM 13 C VAL C 328 17.879 -4.360 -16.642 1.00 0.00 C ATOM 14 O VAL C 328 17.610 -4.898 -17.716 1.00 0.00 O ATOM 15 CB VAL C 328 15.526 -4.116 -15.858 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.672 -5.416 -15.054 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.528 -3.177 -15.165 1.00 0.00 C ATOM 0 H VAL C 328 16.195 -2.277 -17.587 1.00 0.00 H new ATOM 0 HA VAL C 328 17.252 -3.174 -14.968 1.00 0.00 H new ATOM 0 HB VAL C 328 15.158 -4.356 -16.856 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.702 -5.908 -14.979 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.377 -6.078 -15.557 1.00 0.00 H new ATOM 0 HG13 VAL C 328 16.041 -5.186 -14.054 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.558 -3.669 -15.088 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.891 -2.933 -14.167 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.425 -2.262 -15.748 1.00 0.00 H new ATOM 27 N ALA C 329 19.029 -4.551 -16.001 1.00 0.00 N ATOM 28 CA ALA C 329 20.065 -5.425 -16.542 1.00 0.00 C ATOM 29 C ALA C 329 19.858 -6.853 -16.062 1.00 0.00 C ATOM 30 O ALA C 329 20.421 -7.793 -16.619 1.00 0.00 O ATOM 31 CB ALA C 329 21.445 -4.940 -16.090 1.00 0.00 C ATOM 0 H ALA C 329 19.266 -4.114 -15.110 1.00 0.00 H new ATOM 0 HA ALA C 329 20.004 -5.399 -17.630 1.00 0.00 H new ATOM 0 HB1 ALA C 329 22.213 -5.597 -16.498 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.609 -3.924 -16.449 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.497 -4.953 -15.001 1.00 0.00 H new ATOM 37 N THR C 330 19.050 -7.012 -15.020 1.00 0.00 N ATOM 38 CA THR C 330 18.790 -8.340 -14.472 1.00 0.00 C ATOM 39 C THR C 330 17.698 -9.057 -15.275 1.00 0.00 C ATOM 40 O THR C 330 16.779 -8.417 -15.782 1.00 0.00 O ATOM 41 CB THR C 330 18.353 -8.230 -13.005 1.00 0.00 C ATOM 42 OG1 THR C 330 17.387 -7.195 -12.876 1.00 0.00 O ATOM 43 CG2 THR C 330 19.567 -7.912 -12.127 1.00 0.00 C ATOM 0 H THR C 330 18.569 -6.250 -14.542 1.00 0.00 H new ATOM 0 HA THR C 330 19.712 -8.918 -14.536 1.00 0.00 H new ATOM 0 HB THR C 330 17.917 -9.176 -12.685 1.00 0.00 H new ATOM 0 HG1 THR C 330 17.106 -7.125 -11.940 1.00 0.00 H new ATOM 0 HG21 THR C 330 19.253 -7.835 -11.086 1.00 0.00 H new ATOM 0 HG22 THR C 330 20.305 -8.708 -12.225 1.00 0.00 H new ATOM 0 HG23 THR C 330 20.008 -6.967 -12.444 1.00 0.00 H new ATOM 51 N PRO C 331 17.771 -10.366 -15.387 1.00 0.00 N ATOM 52 CA PRO C 331 16.751 -11.166 -16.135 1.00 0.00 C ATOM 53 C PRO C 331 15.428 -11.271 -15.381 1.00 0.00 C ATOM 54 O PRO C 331 15.385 -11.137 -14.157 1.00 0.00 O ATOM 55 CB PRO C 331 17.419 -12.538 -16.276 1.00 0.00 C ATOM 56 CG PRO C 331 18.287 -12.650 -15.067 1.00 0.00 C ATOM 57 CD PRO C 331 18.820 -11.235 -14.815 1.00 0.00 C ATOM 0 HA PRO C 331 16.486 -10.711 -17.089 1.00 0.00 H new ATOM 0 HB2 PRO C 331 16.680 -13.339 -16.311 1.00 0.00 H new ATOM 0 HB3 PRO C 331 18.004 -12.604 -17.193 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.721 -13.015 -14.210 1.00 0.00 H new ATOM 0 HG3 PRO C 331 19.103 -13.353 -15.233 1.00 0.00 H new ATOM 0 HD2 PRO C 331 18.964 -11.044 -13.752 1.00 0.00 H new ATOM 0 HD3 PRO C 331 19.783 -11.076 -15.301 1.00 0.00 H new ATOM 65 N GLU C 332 14.357 -11.534 -16.119 1.00 0.00 N ATOM 66 CA GLU C 332 13.043 -11.676 -15.511 1.00 0.00 C ATOM 67 C GLU C 332 13.076 -12.778 -14.459 1.00 0.00 C ATOM 68 O GLU C 332 12.248 -12.810 -13.550 1.00 0.00 O ATOM 69 CB GLU C 332 12.008 -12.015 -16.588 1.00 0.00 C ATOM 70 CG GLU C 332 12.368 -13.352 -17.245 1.00 0.00 C ATOM 71 CD GLU C 332 11.403 -13.645 -18.390 1.00 0.00 C ATOM 72 OE1 GLU C 332 10.255 -13.248 -18.288 1.00 0.00 O ATOM 73 OE2 GLU C 332 11.828 -14.266 -19.351 1.00 0.00 O ATOM 0 H GLU C 332 14.373 -11.652 -17.132 1.00 0.00 H new ATOM 0 HA GLU C 332 12.767 -10.736 -15.033 1.00 0.00 H new ATOM 0 HB2 GLU C 332 11.013 -12.072 -16.146 1.00 0.00 H new ATOM 0 HB3 GLU C 332 11.978 -11.226 -17.339 1.00 0.00 H new ATOM 0 HG2 GLU C 332 13.391 -13.319 -17.620 1.00 0.00 H new ATOM 0 HG3 GLU C 332 12.324 -14.153 -16.507 1.00 0.00 H new ATOM 80 N GLU C 333 14.046 -13.681 -14.591 1.00 0.00 N ATOM 81 CA GLU C 333 14.187 -14.781 -13.647 1.00 0.00 C ATOM 82 C GLU C 333 14.198 -14.261 -12.219 1.00 0.00 C ATOM 83 O GLU C 333 13.427 -14.721 -11.376 1.00 0.00 O ATOM 84 CB GLU C 333 15.494 -15.534 -13.934 1.00 0.00 C ATOM 85 CG GLU C 333 15.334 -16.381 -15.195 1.00 0.00 C ATOM 86 CD GLU C 333 16.644 -17.099 -15.508 1.00 0.00 C ATOM 87 OE1 GLU C 333 17.579 -16.941 -14.741 1.00 0.00 O ATOM 88 OE2 GLU C 333 16.691 -17.796 -16.508 1.00 0.00 O ATOM 0 H GLU C 333 14.740 -13.671 -15.338 1.00 0.00 H new ATOM 0 HA GLU C 333 13.339 -15.456 -13.763 1.00 0.00 H new ATOM 0 HB2 GLU C 333 16.313 -14.826 -14.062 1.00 0.00 H new ATOM 0 HB3 GLU C 333 15.752 -16.170 -13.087 1.00 0.00 H new ATOM 0 HG2 GLU C 333 14.535 -17.109 -15.056 1.00 0.00 H new ATOM 0 HG3 GLU C 333 15.046 -15.748 -16.035 1.00 0.00 H new ATOM 95 N LEU C 334 15.068 -13.299 -11.955 1.00 0.00 N ATOM 96 CA LEU C 334 15.158 -12.725 -10.622 1.00 0.00 C ATOM 97 C LEU C 334 13.861 -12.024 -10.246 1.00 0.00 C ATOM 98 O LEU C 334 13.373 -12.161 -9.124 1.00 0.00 O ATOM 99 CB LEU C 334 16.323 -11.727 -10.554 1.00 0.00 C ATOM 100 CG LEU C 334 16.373 -11.059 -9.170 1.00 0.00 C ATOM 101 CD1 LEU C 334 16.487 -12.125 -8.068 1.00 0.00 C ATOM 102 CD2 LEU C 334 17.585 -10.119 -9.108 1.00 0.00 C ATOM 0 H LEU C 334 15.715 -12.903 -12.637 1.00 0.00 H new ATOM 0 HA LEU C 334 15.334 -13.535 -9.914 1.00 0.00 H new ATOM 0 HB2 LEU C 334 17.264 -12.241 -10.751 1.00 0.00 H new ATOM 0 HB3 LEU C 334 16.206 -10.968 -11.328 1.00 0.00 H new ATOM 0 HG LEU C 334 15.456 -10.491 -9.012 1.00 0.00 H new ATOM 0 HD11 LEU C 334 16.521 -11.638 -7.093 1.00 0.00 H new ATOM 0 HD12 LEU C 334 15.623 -12.788 -8.112 1.00 0.00 H new ATOM 0 HD13 LEU C 334 17.398 -12.706 -8.216 1.00 0.00 H new ATOM 0 HD21 LEU C 334 17.626 -9.642 -8.129 1.00 0.00 H new ATOM 0 HD22 LEU C 334 18.498 -10.691 -9.271 1.00 0.00 H new ATOM 0 HD23 LEU C 334 17.493 -9.355 -9.880 1.00 0.00 H new ATOM 114 N ALA C 335 13.315 -11.262 -11.183 1.00 0.00 N ATOM 115 CA ALA C 335 12.086 -10.533 -10.925 1.00 0.00 C ATOM 116 C ALA C 335 10.965 -11.489 -10.549 1.00 0.00 C ATOM 117 O ALA C 335 10.259 -11.279 -9.559 1.00 0.00 O ATOM 118 CB ALA C 335 11.686 -9.740 -12.171 1.00 0.00 C ATOM 0 H ALA C 335 13.700 -11.134 -12.119 1.00 0.00 H new ATOM 0 HA ALA C 335 12.256 -9.849 -10.093 1.00 0.00 H new ATOM 0 HB1 ALA C 335 10.763 -9.194 -11.974 1.00 0.00 H new ATOM 0 HB2 ALA C 335 12.478 -9.035 -12.423 1.00 0.00 H new ATOM 0 HB3 ALA C 335 11.531 -10.425 -13.004 1.00 0.00 H new ATOM 124 N VAL C 336 10.805 -12.544 -11.338 1.00 0.00 N ATOM 125 CA VAL C 336 9.759 -13.524 -11.078 1.00 0.00 C ATOM 126 C VAL C 336 9.952 -14.150 -9.703 1.00 0.00 C ATOM 127 O VAL C 336 9.002 -14.280 -8.931 1.00 0.00 O ATOM 128 CB VAL C 336 9.791 -14.613 -12.156 1.00 0.00 C ATOM 129 CG1 VAL C 336 8.817 -15.735 -11.787 1.00 0.00 C ATOM 130 CG2 VAL C 336 9.385 -14.011 -13.505 1.00 0.00 C ATOM 0 H VAL C 336 11.381 -12.742 -12.156 1.00 0.00 H new ATOM 0 HA VAL C 336 8.792 -13.022 -11.101 1.00 0.00 H new ATOM 0 HB VAL C 336 10.800 -15.019 -12.226 1.00 0.00 H new ATOM 0 HG11 VAL C 336 8.843 -16.507 -12.556 1.00 0.00 H new ATOM 0 HG12 VAL C 336 9.106 -16.167 -10.829 1.00 0.00 H new ATOM 0 HG13 VAL C 336 7.807 -15.331 -11.713 1.00 0.00 H new ATOM 0 HG21 VAL C 336 9.408 -14.786 -14.271 1.00 0.00 H new ATOM 0 HG22 VAL C 336 8.377 -13.602 -13.432 1.00 0.00 H new ATOM 0 HG23 VAL C 336 10.081 -13.216 -13.773 1.00 0.00 H new ATOM 140 N ASN C 337 11.185 -14.529 -9.405 1.00 0.00 N ATOM 141 CA ASN C 337 11.493 -15.137 -8.118 1.00 0.00 C ATOM 142 C ASN C 337 11.262 -14.139 -6.990 1.00 0.00 C ATOM 143 O ASN C 337 10.844 -14.511 -5.895 1.00 0.00 O ATOM 144 CB ASN C 337 12.943 -15.622 -8.093 1.00 0.00 C ATOM 145 CG ASN C 337 13.280 -16.186 -6.716 1.00 0.00 C ATOM 146 OD1 ASN C 337 13.850 -15.487 -5.880 1.00 0.00 O ATOM 147 ND2 ASN C 337 12.959 -17.420 -6.431 1.00 0.00 N ATOM 0 H ASN C 337 11.984 -14.428 -10.031 1.00 0.00 H new ATOM 0 HA ASN C 337 10.831 -15.991 -7.974 1.00 0.00 H new ATOM 0 HB2 ASN C 337 13.093 -16.387 -8.855 1.00 0.00 H new ATOM 0 HB3 ASN C 337 13.615 -14.798 -8.332 1.00 0.00 H new ATOM 0 HD21 ASN C 337 13.181 -17.806 -5.513 1.00 0.00 H new ATOM 0 HD22 ASN C 337 12.486 -17.998 -7.126 1.00 0.00 H new ATOM 154 N ASN C 338 11.552 -12.863 -7.262 1.00 0.00 N ATOM 155 CA ASN C 338 11.388 -11.806 -6.262 1.00 0.00 C ATOM 156 C ASN C 338 10.467 -10.712 -6.787 1.00 0.00 C ATOM 157 O ASN C 338 10.859 -9.549 -6.879 1.00 0.00 O ATOM 158 CB ASN C 338 12.750 -11.203 -5.921 1.00 0.00 C ATOM 159 CG ASN C 338 12.633 -10.329 -4.677 1.00 0.00 C ATOM 160 OD1 ASN C 338 11.535 -9.912 -4.314 1.00 0.00 O ATOM 161 ND2 ASN C 338 13.706 -10.029 -3.997 1.00 0.00 N ATOM 0 H ASN C 338 11.901 -12.539 -8.164 1.00 0.00 H new ATOM 0 HA ASN C 338 10.944 -12.241 -5.367 1.00 0.00 H new ATOM 0 HB2 ASN C 338 13.477 -11.997 -5.751 1.00 0.00 H new ATOM 0 HB3 ASN C 338 13.115 -10.610 -6.760 1.00 0.00 H new ATOM 0 HD21 ASN C 338 13.635 -9.447 -3.162 1.00 0.00 H new ATOM 0 HD22 ASN C 338 14.616 -10.376 -4.300 1.00 0.00 H new ATOM 168 N ASP C 339 9.237 -11.091 -7.121 1.00 0.00 N ATOM 169 CA ASP C 339 8.260 -10.134 -7.630 1.00 0.00 C ATOM 170 C ASP C 339 7.527 -9.465 -6.476 1.00 0.00 C ATOM 171 O ASP C 339 6.457 -9.913 -6.063 1.00 0.00 O ATOM 172 CB ASP C 339 7.249 -10.848 -8.532 1.00 0.00 C ATOM 173 CG ASP C 339 6.582 -11.988 -7.770 1.00 0.00 C ATOM 174 OD1 ASP C 339 7.252 -12.603 -6.958 1.00 0.00 O ATOM 175 OD2 ASP C 339 5.408 -12.225 -8.007 1.00 0.00 O ATOM 0 H ASP C 339 8.894 -12.049 -7.049 1.00 0.00 H new ATOM 0 HA ASP C 339 8.786 -9.374 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP C 339 6.495 -10.141 -8.878 1.00 0.00 H new ATOM 0 HB3 ASP C 339 7.751 -11.237 -9.418 1.00 0.00 H new ATOM 180 N ASP C 340 8.110 -8.391 -5.954 1.00 0.00 N ATOM 181 CA ASP C 340 7.507 -7.667 -4.843 1.00 0.00 C ATOM 182 C ASP C 340 8.270 -6.378 -4.577 1.00 0.00 C ATOM 183 O ASP C 340 9.494 -6.386 -4.445 1.00 0.00 O ATOM 184 CB ASP C 340 7.517 -8.534 -3.585 1.00 0.00 C ATOM 185 CG ASP C 340 6.793 -7.815 -2.451 1.00 0.00 C ATOM 186 OD1 ASP C 340 6.450 -6.659 -2.634 1.00 0.00 O ATOM 187 OD2 ASP C 340 6.590 -8.432 -1.420 1.00 0.00 O ATOM 0 H ASP C 340 8.995 -8.005 -6.281 1.00 0.00 H new ATOM 0 HA ASP C 340 6.477 -7.424 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP C 340 7.034 -9.490 -3.788 1.00 0.00 H new ATOM 0 HB3 ASP C 340 8.544 -8.752 -3.292 1.00 0.00 H new ATOM 192 N CYS C 341 7.542 -5.264 -4.488 1.00 0.00 N ATOM 193 CA CYS C 341 8.161 -3.960 -4.225 1.00 0.00 C ATOM 194 C CYS C 341 7.919 -3.535 -2.781 1.00 0.00 C ATOM 195 O CYS C 341 6.785 -3.495 -2.322 1.00 0.00 O ATOM 196 CB CYS C 341 7.576 -2.900 -5.188 1.00 0.00 C ATOM 197 SG CYS C 341 8.829 -2.380 -6.390 1.00 0.00 S ATOM 0 H CYS C 341 6.528 -5.236 -4.593 1.00 0.00 H new ATOM 0 HA CYS C 341 9.235 -4.044 -4.388 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.711 -3.310 -5.709 1.00 0.00 H new ATOM 0 HB3 CYS C 341 7.227 -2.037 -4.621 1.00 0.00 H new ATOM 0 HG CYS C 341 8.245 -1.979 -7.480 1.00 0.00 H new ATOM 202 N ALA C 342 8.990 -3.201 -2.081 1.00 0.00 N ATOM 203 CA ALA C 342 8.872 -2.763 -0.699 1.00 0.00 C ATOM 204 C ALA C 342 8.363 -1.326 -0.636 1.00 0.00 C ATOM 205 O ALA C 342 8.013 -0.826 0.431 1.00 0.00 O ATOM 206 CB ALA C 342 10.229 -2.856 -0.008 1.00 0.00 C ATOM 0 H ALA C 342 9.944 -3.224 -2.442 1.00 0.00 H new ATOM 0 HA ALA C 342 8.160 -3.411 -0.189 1.00 0.00 H new ATOM 0 HB1 ALA C 342 10.134 -2.527 1.027 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.578 -3.888 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.946 -2.220 -0.527 1.00 0.00 H new ATOM 212 N ILE C 343 8.336 -0.661 -1.793 1.00 0.00 N ATOM 213 CA ILE C 343 7.877 0.729 -1.865 1.00 0.00 C ATOM 214 C ILE C 343 6.382 0.799 -2.164 1.00 0.00 C ATOM 215 O ILE C 343 5.594 1.242 -1.329 1.00 0.00 O ATOM 216 CB ILE C 343 8.646 1.473 -2.956 1.00 0.00 C ATOM 217 CG1 ILE C 343 10.124 1.544 -2.570 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.091 2.894 -3.097 1.00 0.00 C ATOM 219 CD1 ILE C 343 10.945 2.002 -3.778 1.00 0.00 C ATOM 0 H ILE C 343 8.624 -1.058 -2.687 1.00 0.00 H new ATOM 0 HA ILE C 343 8.060 1.196 -0.897 1.00 0.00 H new ATOM 0 HB ILE C 343 8.537 0.945 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.261 2.237 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.470 0.567 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.640 3.424 -3.875 1.00 0.00 H new ATOM 0 HG22 ILE C 343 7.036 2.847 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.202 3.423 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE C 343 11.999 2.053 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE C 343 10.817 1.292 -4.595 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.605 2.987 -4.096 1.00 0.00 H new ATOM 231 N CYS C 344 6.000 0.376 -3.369 1.00 0.00 N ATOM 232 CA CYS C 344 4.599 0.409 -3.778 1.00 0.00 C ATOM 233 C CYS C 344 3.869 -0.848 -3.319 1.00 0.00 C ATOM 234 O CYS C 344 2.743 -1.111 -3.739 1.00 0.00 O ATOM 235 CB CYS C 344 4.502 0.541 -5.303 1.00 0.00 C ATOM 236 SG CYS C 344 5.486 -0.750 -6.106 1.00 0.00 S ATOM 0 H CYS C 344 6.638 0.009 -4.075 1.00 0.00 H new ATOM 0 HA CYS C 344 4.126 1.272 -3.310 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.461 0.463 -5.617 1.00 0.00 H new ATOM 0 HB3 CYS C 344 4.856 1.524 -5.614 1.00 0.00 H new ATOM 0 HG CYS C 344 5.833 -0.355 -7.295 1.00 0.00 H new ATOM 241 N TRP C 345 4.515 -1.625 -2.449 1.00 0.00 N ATOM 242 CA TRP C 345 3.907 -2.854 -1.938 1.00 0.00 C ATOM 243 C TRP C 345 3.192 -3.607 -3.054 1.00 0.00 C ATOM 244 O TRP C 345 2.306 -4.420 -2.798 1.00 0.00 O ATOM 245 CB TRP C 345 2.910 -2.518 -0.834 1.00 0.00 C ATOM 246 CG TRP C 345 3.569 -1.631 0.174 1.00 0.00 C ATOM 247 CD1 TRP C 345 3.272 -0.327 0.368 1.00 0.00 C ATOM 248 CD2 TRP C 345 4.631 -1.954 1.119 1.00 0.00 C ATOM 249 NE1 TRP C 345 4.076 0.170 1.377 1.00 0.00 N ATOM 250 CE2 TRP C 345 4.932 -0.794 1.870 1.00 0.00 C ATOM 251 CE3 TRP C 345 5.353 -3.130 1.397 1.00 0.00 C ATOM 252 CZ2 TRP C 345 5.914 -0.799 2.862 1.00 0.00 C ATOM 253 CZ3 TRP C 345 6.342 -3.136 2.393 1.00 0.00 C ATOM 254 CH2 TRP C 345 6.622 -1.974 3.125 1.00 0.00 C ATOM 0 H TRP C 345 5.448 -1.429 -2.087 1.00 0.00 H new ATOM 0 HA TRP C 345 4.699 -3.488 -1.538 1.00 0.00 H new ATOM 0 HB2 TRP C 345 2.036 -2.022 -1.256 1.00 0.00 H new ATOM 0 HB3 TRP C 345 2.558 -3.432 -0.356 1.00 0.00 H new ATOM 0 HD1 TRP C 345 2.528 0.235 -0.176 1.00 0.00 H new ATOM 0 HE1 TRP C 345 4.041 1.131 1.716 1.00 0.00 H new ATOM 0 HE3 TRP C 345 5.145 -4.032 0.841 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 6.125 0.100 3.422 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 6.892 -4.043 2.597 1.00 0.00 H new ATOM 0 HH2 TRP C 345 7.384 -1.987 3.891 1.00 0.00 H new ATOM 265 N ASP C 346 3.579 -3.324 -4.299 1.00 0.00 N ATOM 266 CA ASP C 346 2.965 -3.975 -5.458 1.00 0.00 C ATOM 267 C ASP C 346 3.878 -5.071 -5.998 1.00 0.00 C ATOM 268 O ASP C 346 4.871 -5.435 -5.367 1.00 0.00 O ATOM 269 CB ASP C 346 2.696 -2.939 -6.556 1.00 0.00 C ATOM 270 CG ASP C 346 1.716 -3.498 -7.583 1.00 0.00 C ATOM 271 OD1 ASP C 346 0.963 -4.392 -7.237 1.00 0.00 O ATOM 272 OD2 ASP C 346 1.736 -3.023 -8.709 1.00 0.00 O ATOM 0 H ASP C 346 4.311 -2.652 -4.530 1.00 0.00 H new ATOM 0 HA ASP C 346 2.022 -4.424 -5.146 1.00 0.00 H new ATOM 0 HB2 ASP C 346 2.291 -2.028 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP C 346 3.631 -2.667 -7.046 1.00 0.00 H new ATOM 277 N SER C 347 3.534 -5.599 -7.171 1.00 0.00 N ATOM 278 CA SER C 347 4.327 -6.653 -7.794 1.00 0.00 C ATOM 279 C SER C 347 4.183 -6.598 -9.311 1.00 0.00 C ATOM 280 O SER C 347 3.076 -6.695 -9.841 1.00 0.00 O ATOM 281 CB SER C 347 3.863 -8.015 -7.284 1.00 0.00 C ATOM 282 OG SER C 347 2.477 -8.172 -7.556 1.00 0.00 O ATOM 0 H SER C 347 2.714 -5.314 -7.707 1.00 0.00 H new ATOM 0 HA SER C 347 5.375 -6.504 -7.534 1.00 0.00 H new ATOM 0 HB2 SER C 347 4.432 -8.810 -7.766 1.00 0.00 H new ATOM 0 HB3 SER C 347 4.046 -8.097 -6.213 1.00 0.00 H new ATOM 0 HG SER C 347 2.266 -7.767 -8.423 1.00 0.00 H new ATOM 288 N MET C 348 5.306 -6.445 -10.010 1.00 0.00 N ATOM 289 CA MET C 348 5.293 -6.380 -11.471 1.00 0.00 C ATOM 290 C MET C 348 6.548 -7.033 -12.039 1.00 0.00 C ATOM 291 O MET C 348 7.370 -7.569 -11.298 1.00 0.00 O ATOM 292 CB MET C 348 5.224 -4.925 -11.936 1.00 0.00 C ATOM 293 CG MET C 348 3.906 -4.301 -11.468 1.00 0.00 C ATOM 294 SD MET C 348 3.748 -2.637 -12.163 1.00 0.00 S ATOM 295 CE MET C 348 5.081 -1.856 -11.220 1.00 0.00 C ATOM 0 H MET C 348 6.233 -6.364 -9.591 1.00 0.00 H new ATOM 0 HA MET C 348 4.414 -6.915 -11.831 1.00 0.00 H new ATOM 0 HB2 MET C 348 6.067 -4.363 -11.534 1.00 0.00 H new ATOM 0 HB3 MET C 348 5.297 -4.875 -13.022 1.00 0.00 H new ATOM 0 HG2 MET C 348 3.066 -4.920 -11.783 1.00 0.00 H new ATOM 0 HG3 MET C 348 3.878 -4.256 -10.379 1.00 0.00 H new ATOM 0 HE1 MET C 348 4.902 -0.783 -11.158 1.00 0.00 H new ATOM 0 HE2 MET C 348 5.111 -2.278 -10.215 1.00 0.00 H new ATOM 0 HE3 MET C 348 6.033 -2.037 -11.718 1.00 0.00 H new ATOM 305 N GLN C 349 6.683 -6.986 -13.358 1.00 0.00 N ATOM 306 CA GLN C 349 7.840 -7.579 -14.019 1.00 0.00 C ATOM 307 C GLN C 349 9.088 -6.733 -13.799 1.00 0.00 C ATOM 308 O GLN C 349 10.118 -7.233 -13.349 1.00 0.00 O ATOM 309 CB GLN C 349 7.569 -7.711 -15.518 1.00 0.00 C ATOM 310 CG GLN C 349 6.405 -8.680 -15.748 1.00 0.00 C ATOM 311 CD GLN C 349 6.806 -10.091 -15.334 1.00 0.00 C ATOM 312 OE1 GLN C 349 7.820 -10.610 -15.801 1.00 0.00 O ATOM 313 NE2 GLN C 349 6.069 -10.746 -14.479 1.00 0.00 N ATOM 0 H GLN C 349 6.012 -6.547 -13.988 1.00 0.00 H new ATOM 0 HA GLN C 349 8.011 -8.565 -13.588 1.00 0.00 H new ATOM 0 HB2 GLN C 349 7.332 -6.735 -15.942 1.00 0.00 H new ATOM 0 HB3 GLN C 349 8.462 -8.072 -16.029 1.00 0.00 H new ATOM 0 HG2 GLN C 349 5.535 -8.358 -15.175 1.00 0.00 H new ATOM 0 HG3 GLN C 349 6.116 -8.670 -16.799 1.00 0.00 H new ATOM 0 HE21 GLN C 349 5.229 -10.314 -14.093 1.00 0.00 H new ATOM 0 HE22 GLN C 349 6.333 -11.690 -14.196 1.00 0.00 H new ATOM 322 N ALA C 350 8.992 -5.449 -14.132 1.00 0.00 N ATOM 323 CA ALA C 350 10.124 -4.545 -13.978 1.00 0.00 C ATOM 324 C ALA C 350 10.788 -4.747 -12.623 1.00 0.00 C ATOM 325 O ALA C 350 10.136 -4.656 -11.581 1.00 0.00 O ATOM 326 CB ALA C 350 9.655 -3.098 -14.107 1.00 0.00 C ATOM 0 H ALA C 350 8.149 -5.015 -14.507 1.00 0.00 H new ATOM 0 HA ALA C 350 10.850 -4.763 -14.762 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.507 -2.428 -13.991 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.206 -2.947 -15.089 1.00 0.00 H new ATOM 0 HB3 ALA C 350 8.917 -2.884 -13.334 1.00 0.00 H new ATOM 332 N ALA C 351 12.087 -5.034 -12.640 1.00 0.00 N ATOM 333 CA ALA C 351 12.834 -5.260 -11.406 1.00 0.00 C ATOM 334 C ALA C 351 14.265 -4.765 -11.551 1.00 0.00 C ATOM 335 O ALA C 351 15.031 -5.284 -12.357 1.00 0.00 O ATOM 336 CB ALA C 351 12.839 -6.751 -11.078 1.00 0.00 C ATOM 0 H ALA C 351 12.643 -5.115 -13.492 1.00 0.00 H new ATOM 0 HA ALA C 351 12.353 -4.708 -10.599 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.397 -6.919 -10.157 1.00 0.00 H new ATOM 0 HB2 ALA C 351 11.814 -7.099 -10.950 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.310 -7.301 -11.893 1.00 0.00 H new ATOM 342 N ARG C 352 14.619 -3.759 -10.758 1.00 0.00 N ATOM 343 CA ARG C 352 15.962 -3.189 -10.798 1.00 0.00 C ATOM 344 C ARG C 352 16.580 -3.239 -9.413 1.00 0.00 C ATOM 345 O ARG C 352 15.868 -3.241 -8.410 1.00 0.00 O ATOM 346 CB ARG C 352 15.906 -1.745 -11.304 1.00 0.00 C ATOM 347 CG ARG C 352 17.331 -1.245 -11.596 1.00 0.00 C ATOM 348 CD ARG C 352 17.282 -0.062 -12.565 1.00 0.00 C ATOM 349 NE ARG C 352 18.640 0.338 -12.925 1.00 0.00 N ATOM 350 CZ ARG C 352 19.315 1.217 -12.193 1.00 0.00 C ATOM 351 NH1 ARG C 352 18.770 1.727 -11.122 1.00 0.00 N ATOM 352 NH2 ARG C 352 20.523 1.562 -12.541 1.00 0.00 N ATOM 0 H ARG C 352 13.995 -3.321 -10.080 1.00 0.00 H new ATOM 0 HA ARG C 352 16.579 -3.772 -11.482 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.298 -1.689 -12.207 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.431 -1.106 -10.559 1.00 0.00 H new ATOM 0 HG2 ARG C 352 17.818 -0.945 -10.668 1.00 0.00 H new ATOM 0 HG3 ARG C 352 17.928 -2.051 -12.023 1.00 0.00 H new ATOM 0 HD2 ARG C 352 16.724 -0.336 -13.460 1.00 0.00 H new ATOM 0 HD3 ARG C 352 16.756 0.775 -12.106 1.00 0.00 H new ATOM 0 HE ARG C 352 19.078 -0.065 -13.753 1.00 0.00 H new ATOM 0 HH11 ARG C 352 17.827 1.450 -10.848 1.00 0.00 H new ATOM 0 HH12 ARG C 352 19.287 2.402 -10.559 1.00 0.00 H new ATOM 0 HH21 ARG C 352 20.949 1.157 -13.375 1.00 0.00 H new ATOM 0 HH22 ARG C 352 21.042 2.237 -11.980 1.00 0.00 H new ATOM 366 N LYS C 353 17.910 -3.309 -9.359 1.00 0.00 N ATOM 367 CA LYS C 353 18.619 -3.389 -8.084 1.00 0.00 C ATOM 368 C LYS C 353 19.409 -2.122 -7.814 1.00 0.00 C ATOM 369 O LYS C 353 20.152 -1.643 -8.671 1.00 0.00 O ATOM 370 CB LYS C 353 19.573 -4.576 -8.101 1.00 0.00 C ATOM 371 CG LYS C 353 20.108 -4.817 -6.695 1.00 0.00 C ATOM 372 CD LYS C 353 20.931 -6.106 -6.679 1.00 0.00 C ATOM 373 CE LYS C 353 22.217 -5.935 -7.499 1.00 0.00 C ATOM 374 NZ LYS C 353 23.186 -7.005 -7.131 1.00 0.00 N ATOM 0 H LYS C 353 18.515 -3.312 -10.180 1.00 0.00 H new ATOM 0 HA LYS C 353 17.878 -3.513 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.057 -5.466 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.398 -4.384 -8.788 1.00 0.00 H new ATOM 0 HG2 LYS C 353 20.724 -3.975 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.282 -4.891 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS C 353 21.181 -6.372 -5.652 1.00 0.00 H new ATOM 0 HD3 LYS C 353 20.340 -6.926 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS C 353 21.991 -5.985 -8.564 1.00 0.00 H new ATOM 0 HE3 LYS C 353 22.653 -4.954 -7.311 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 24.058 -6.890 -7.686 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 23.410 -6.937 -6.118 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 22.768 -7.936 -7.332 1.00 0.00 H new ATOM 388 N LEU C 354 19.246 -1.582 -6.614 1.00 0.00 N ATOM 389 CA LEU C 354 19.949 -0.365 -6.241 1.00 0.00 C ATOM 390 C LEU C 354 21.412 -0.673 -5.917 1.00 0.00 C ATOM 391 O LEU C 354 21.747 -1.796 -5.537 1.00 0.00 O ATOM 392 CB LEU C 354 19.265 0.282 -5.019 1.00 0.00 C ATOM 393 CG LEU C 354 18.050 1.117 -5.450 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.135 1.318 -4.233 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.484 2.493 -5.987 1.00 0.00 C ATOM 0 H LEU C 354 18.639 -1.964 -5.889 1.00 0.00 H new ATOM 0 HA LEU C 354 19.916 0.330 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.949 -0.493 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.978 0.915 -4.491 1.00 0.00 H new ATOM 0 HG LEU C 354 17.526 0.588 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.267 1.910 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.805 0.348 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.683 1.839 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.603 3.062 -6.284 1.00 0.00 H new ATOM 0 HD22 LEU C 354 19.020 3.035 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU C 354 19.137 2.358 -6.849 1.00 0.00 H new ATOM 407 N PRO C 355 22.280 0.300 -6.052 1.00 0.00 N ATOM 408 CA PRO C 355 23.735 0.131 -5.751 1.00 0.00 C ATOM 409 C PRO C 355 23.975 -0.162 -4.266 1.00 0.00 C ATOM 410 O PRO C 355 25.078 -0.539 -3.872 1.00 0.00 O ATOM 411 CB PRO C 355 24.358 1.481 -6.174 1.00 0.00 C ATOM 412 CG PRO C 355 23.226 2.459 -6.134 1.00 0.00 C ATOM 413 CD PRO C 355 21.981 1.669 -6.512 1.00 0.00 C ATOM 0 HA PRO C 355 24.175 -0.716 -6.277 1.00 0.00 H new ATOM 0 HB2 PRO C 355 25.159 1.776 -5.496 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.792 1.420 -7.172 1.00 0.00 H new ATOM 0 HG2 PRO C 355 23.124 2.898 -5.142 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.394 3.280 -6.831 1.00 0.00 H new ATOM 0 HD2 PRO C 355 21.091 2.069 -6.026 1.00 0.00 H new ATOM 0 HD3 PRO C 355 21.799 1.699 -7.586 1.00 0.00 H new ATOM 421 N CYS C 356 22.935 0.015 -3.454 1.00 0.00 N ATOM 422 CA CYS C 356 23.044 -0.235 -2.015 1.00 0.00 C ATOM 423 C CYS C 356 22.753 -1.700 -1.697 1.00 0.00 C ATOM 424 O CYS C 356 23.480 -2.334 -0.931 1.00 0.00 O ATOM 425 CB CYS C 356 22.078 0.677 -1.247 1.00 0.00 C ATOM 426 SG CYS C 356 20.394 0.014 -1.319 1.00 0.00 S ATOM 0 H CYS C 356 22.014 0.328 -3.762 1.00 0.00 H new ATOM 0 HA CYS C 356 24.064 -0.013 -1.703 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.398 0.764 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS C 356 22.099 1.680 -1.672 1.00 0.00 H new ATOM 0 HG CYS C 356 19.591 0.796 -0.660 1.00 0.00 H new ATOM 431 N GLY C 357 21.684 -2.231 -2.290 1.00 0.00 N ATOM 432 CA GLY C 357 21.297 -3.629 -2.066 1.00 0.00 C ATOM 433 C GLY C 357 19.787 -3.756 -1.884 1.00 0.00 C ATOM 434 O GLY C 357 19.319 -4.367 -0.922 1.00 0.00 O ATOM 0 H GLY C 357 21.072 -1.720 -2.926 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.618 -4.239 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.807 -4.014 -1.183 1.00 0.00 H new ATOM 438 N HIS C 358 19.028 -3.195 -2.824 1.00 0.00 N ATOM 439 CA HIS C 358 17.563 -3.258 -2.768 1.00 0.00 C ATOM 440 C HIS C 358 16.998 -3.476 -4.164 1.00 0.00 C ATOM 441 O HIS C 358 17.533 -2.960 -5.136 1.00 0.00 O ATOM 442 CB HIS C 358 17.011 -1.949 -2.177 1.00 0.00 C ATOM 443 CG HIS C 358 17.017 -2.029 -0.677 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.029 -1.481 0.097 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.142 -2.611 0.202 1.00 0.00 C ATOM 446 CE1 HIS C 358 17.737 -1.748 1.384 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.597 -2.433 1.503 1.00 0.00 N ATOM 0 H HIS C 358 19.398 -2.693 -3.631 1.00 0.00 H new ATOM 0 HA HIS C 358 17.265 -4.092 -2.133 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.616 -1.105 -2.508 1.00 0.00 H new ATOM 0 HB3 HIS C 358 15.997 -1.775 -2.538 1.00 0.00 H new ATOM 0 HD1 HIS C 358 18.843 -0.971 -0.245 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.236 -3.130 -0.074 1.00 0.00 H new ATOM 0 HE1 HIS C 358 18.351 -1.445 2.219 1.00 0.00 H new ATOM 455 N LEU C 359 15.915 -4.253 -4.250 1.00 0.00 N ATOM 456 CA LEU C 359 15.281 -4.552 -5.542 1.00 0.00 C ATOM 457 C LEU C 359 14.018 -3.725 -5.741 1.00 0.00 C ATOM 458 O LEU C 359 13.029 -3.939 -5.048 1.00 0.00 O ATOM 459 CB LEU C 359 14.894 -6.024 -5.569 1.00 0.00 C ATOM 460 CG LEU C 359 16.143 -6.898 -5.400 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.724 -8.315 -5.005 1.00 0.00 C ATOM 462 CD2 LEU C 359 16.930 -6.958 -6.718 1.00 0.00 C ATOM 0 H LEU C 359 15.459 -4.686 -3.447 1.00 0.00 H new ATOM 0 HA LEU C 359 15.989 -4.313 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.181 -6.236 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.399 -6.261 -6.511 1.00 0.00 H new ATOM 0 HG LEU C 359 16.773 -6.465 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.611 -8.937 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU C 359 15.173 -8.283 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.088 -8.737 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU C 359 17.814 -7.581 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.300 -7.383 -7.499 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.235 -5.952 -7.006 1.00 0.00 H new ATOM 474 N PHE C 360 14.075 -2.792 -6.702 1.00 0.00 N ATOM 475 CA PHE C 360 12.949 -1.896 -7.012 1.00 0.00 C ATOM 476 C PHE C 360 12.614 -1.952 -8.487 1.00 0.00 C ATOM 477 O PHE C 360 13.475 -2.167 -9.335 1.00 0.00 O ATOM 478 CB PHE C 360 13.358 -0.468 -6.608 1.00 0.00 C ATOM 479 CG PHE C 360 13.341 -0.269 -5.087 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.767 -1.201 -4.191 1.00 0.00 C ATOM 481 CD2 PHE C 360 14.046 0.814 -4.560 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.878 -1.016 -2.814 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.146 0.995 -3.181 1.00 0.00 C ATOM 484 CZ PHE C 360 13.562 0.085 -2.307 1.00 0.00 C ATOM 0 H PHE C 360 14.898 -2.637 -7.284 1.00 0.00 H new ATOM 0 HA PHE C 360 12.061 -2.206 -6.462 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.357 -0.256 -6.989 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.681 0.248 -7.074 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.240 -2.061 -4.576 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.519 1.519 -5.227 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.431 -1.730 -2.138 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.681 1.848 -2.789 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.639 0.232 -1.240 1.00 0.00 H new ATOM 494 N HIS C 361 11.339 -1.757 -8.764 1.00 0.00 N ATOM 495 CA HIS C 361 10.856 -1.798 -10.124 1.00 0.00 C ATOM 496 C HIS C 361 11.385 -0.606 -10.902 1.00 0.00 C ATOM 497 O HIS C 361 11.834 0.376 -10.319 1.00 0.00 O ATOM 498 CB HIS C 361 9.325 -1.809 -10.145 1.00 0.00 C ATOM 499 CG HIS C 361 8.816 -2.976 -9.345 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.525 -3.021 -8.839 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.407 -4.159 -8.966 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.380 -4.194 -8.198 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.497 -4.926 -8.243 1.00 0.00 N ATOM 0 H HIS C 361 10.622 -1.569 -8.063 1.00 0.00 H new ATOM 0 HA HIS C 361 11.216 -2.712 -10.596 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.939 -0.877 -9.732 1.00 0.00 H new ATOM 0 HB3 HIS C 361 8.966 -1.876 -11.172 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.422 -4.449 -9.194 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.471 -4.507 -7.706 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.650 -5.848 -7.835 1.00 0.00 H new ATOM 511 N ASN C 362 11.339 -0.702 -12.220 1.00 0.00 N ATOM 512 CA ASN C 362 11.832 0.375 -13.064 1.00 0.00 C ATOM 513 C ASN C 362 11.058 1.661 -12.791 1.00 0.00 C ATOM 514 O ASN C 362 11.646 2.736 -12.681 1.00 0.00 O ATOM 515 CB ASN C 362 11.675 -0.013 -14.536 1.00 0.00 C ATOM 516 CG ASN C 362 12.161 1.121 -15.431 1.00 0.00 C ATOM 517 OD1 ASN C 362 13.017 1.908 -15.030 1.00 0.00 O ATOM 518 ND2 ASN C 362 11.661 1.252 -16.631 1.00 0.00 N ATOM 0 H ASN C 362 10.969 -1.507 -12.726 1.00 0.00 H new ATOM 0 HA ASN C 362 12.885 0.543 -12.839 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.243 -0.920 -14.744 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.630 -0.235 -14.752 1.00 0.00 H new ATOM 0 HD21 ASN C 362 11.980 2.008 -17.237 1.00 0.00 H new ATOM 0 HD22 ASN C 362 10.951 0.598 -16.962 1.00 0.00 H new ATOM 525 N SER C 363 9.740 1.543 -12.674 1.00 0.00 N ATOM 526 CA SER C 363 8.901 2.703 -12.402 1.00 0.00 C ATOM 527 C SER C 363 9.060 3.163 -10.959 1.00 0.00 C ATOM 528 O SER C 363 9.085 4.359 -10.678 1.00 0.00 O ATOM 529 CB SER C 363 7.439 2.362 -12.674 1.00 0.00 C ATOM 530 OG SER C 363 7.234 2.273 -14.077 1.00 0.00 O ATOM 0 H SER C 363 9.233 0.662 -12.763 1.00 0.00 H new ATOM 0 HA SER C 363 9.215 3.513 -13.060 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.178 1.418 -12.196 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.789 3.126 -12.247 1.00 0.00 H new ATOM 0 HG SER C 363 6.296 2.052 -14.257 1.00 0.00 H new ATOM 536 N CYS C 364 9.155 2.202 -10.047 1.00 0.00 N ATOM 537 CA CYS C 364 9.299 2.521 -8.631 1.00 0.00 C ATOM 538 C CYS C 364 10.662 3.131 -8.343 1.00 0.00 C ATOM 539 O CYS C 364 10.763 4.164 -7.679 1.00 0.00 O ATOM 540 CB CYS C 364 9.124 1.256 -7.788 1.00 0.00 C ATOM 541 SG CYS C 364 7.459 0.594 -8.038 1.00 0.00 S ATOM 0 H CYS C 364 9.135 1.205 -10.259 1.00 0.00 H new ATOM 0 HA CYS C 364 8.529 3.247 -8.371 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.869 0.512 -8.069 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.283 1.483 -6.734 1.00 0.00 H new ATOM 0 HG CYS C 364 6.960 0.231 -6.894 1.00 0.00 H new ATOM 546 N LEU C 365 11.711 2.484 -8.832 1.00 0.00 N ATOM 547 CA LEU C 365 13.061 2.976 -8.602 1.00 0.00 C ATOM 548 C LEU C 365 13.265 4.323 -9.295 1.00 0.00 C ATOM 549 O LEU C 365 13.727 5.285 -8.686 1.00 0.00 O ATOM 550 CB LEU C 365 14.085 1.945 -9.124 1.00 0.00 C ATOM 551 CG LEU C 365 15.415 2.070 -8.363 1.00 0.00 C ATOM 552 CD1 LEU C 365 16.400 1.005 -8.851 1.00 0.00 C ATOM 553 CD2 LEU C 365 16.010 3.466 -8.566 1.00 0.00 C ATOM 0 H LEU C 365 11.655 1.628 -9.384 1.00 0.00 H new ATOM 0 HA LEU C 365 13.209 3.116 -7.531 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.686 0.937 -9.007 1.00 0.00 H new ATOM 0 HB3 LEU C 365 14.254 2.099 -10.190 1.00 0.00 H new ATOM 0 HG LEU C 365 15.227 1.919 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU C 365 17.339 1.101 -8.306 1.00 0.00 H new ATOM 0 HD12 LEU C 365 15.980 0.014 -8.678 1.00 0.00 H new ATOM 0 HD13 LEU C 365 16.583 1.140 -9.917 1.00 0.00 H new ATOM 0 HD21 LEU C 365 16.952 3.543 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.189 3.634 -9.628 1.00 0.00 H new ATOM 0 HD23 LEU C 365 15.313 4.216 -8.192 1.00 0.00 H new ATOM 565 N ARG C 366 12.909 4.385 -10.570 1.00 0.00 N ATOM 566 CA ARG C 366 13.070 5.612 -11.332 1.00 0.00 C ATOM 567 C ARG C 366 12.257 6.733 -10.704 1.00 0.00 C ATOM 568 O ARG C 366 12.744 7.849 -10.540 1.00 0.00 O ATOM 569 CB ARG C 366 12.629 5.387 -12.779 1.00 0.00 C ATOM 570 CG ARG C 366 12.915 6.643 -13.603 1.00 0.00 C ATOM 571 CD ARG C 366 12.464 6.419 -15.048 1.00 0.00 C ATOM 572 NE ARG C 366 13.279 5.385 -15.679 1.00 0.00 N ATOM 573 CZ ARG C 366 14.464 5.672 -16.207 1.00 0.00 C ATOM 574 NH1 ARG C 366 14.916 6.897 -16.167 1.00 0.00 N ATOM 575 NH2 ARG C 366 15.175 4.732 -16.767 1.00 0.00 N ATOM 0 H ARG C 366 12.510 3.606 -11.094 1.00 0.00 H new ATOM 0 HA ARG C 366 14.122 5.898 -11.322 1.00 0.00 H new ATOM 0 HB2 ARG C 366 13.158 4.533 -13.203 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.565 5.152 -12.813 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.391 7.498 -13.176 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.980 6.875 -13.575 1.00 0.00 H new ATOM 0 HD2 ARG C 366 11.414 6.126 -15.067 1.00 0.00 H new ATOM 0 HD3 ARG C 366 12.546 7.349 -15.610 1.00 0.00 H new ATOM 0 HE ARG C 366 12.933 4.426 -15.715 1.00 0.00 H new ATOM 0 HH11 ARG C 366 14.359 7.632 -15.731 1.00 0.00 H new ATOM 0 HH12 ARG C 366 15.826 7.118 -16.572 1.00 0.00 H new ATOM 0 HH21 ARG C 366 14.821 3.776 -16.800 1.00 0.00 H new ATOM 0 HH22 ARG C 366 16.085 4.953 -17.172 1.00 0.00 H new ATOM 589 N SER C 367 11.016 6.426 -10.364 1.00 0.00 N ATOM 590 CA SER C 367 10.140 7.423 -9.767 1.00 0.00 C ATOM 591 C SER C 367 10.787 7.997 -8.516 1.00 0.00 C ATOM 592 O SER C 367 10.745 9.207 -8.280 1.00 0.00 O ATOM 593 CB SER C 367 8.797 6.791 -9.400 1.00 0.00 C ATOM 594 OG SER C 367 8.075 7.677 -8.556 1.00 0.00 O ATOM 0 H SER C 367 10.595 5.505 -10.489 1.00 0.00 H new ATOM 0 HA SER C 367 9.975 8.222 -10.490 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.222 6.581 -10.302 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.956 5.838 -8.895 1.00 0.00 H new ATOM 0 HG SER C 367 7.213 7.275 -8.321 1.00 0.00 H new ATOM 600 N TRP C 368 11.389 7.125 -7.715 1.00 0.00 N ATOM 601 CA TRP C 368 12.042 7.562 -6.492 1.00 0.00 C ATOM 602 C TRP C 368 13.198 8.505 -6.819 1.00 0.00 C ATOM 603 O TRP C 368 13.388 9.519 -6.152 1.00 0.00 O ATOM 604 CB TRP C 368 12.572 6.351 -5.717 1.00 0.00 C ATOM 605 CG TRP C 368 12.907 6.759 -4.317 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.151 7.014 -3.851 1.00 0.00 C ATOM 607 CD2 TRP C 368 12.003 6.959 -3.194 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.067 7.360 -2.516 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.764 7.338 -2.063 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.610 6.849 -3.047 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.165 7.600 -0.832 1.00 0.00 C ATOM 612 CZ3 TRP C 368 10.002 7.111 -1.808 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.780 7.484 -0.703 1.00 0.00 C ATOM 0 H TRP C 368 11.437 6.121 -7.890 1.00 0.00 H new ATOM 0 HA TRP C 368 11.312 8.091 -5.878 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.825 5.558 -5.706 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.457 5.949 -6.211 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.062 6.956 -4.429 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.870 7.602 -1.936 1.00 0.00 H new ATOM 0 HE3 TRP C 368 10.003 6.561 -3.892 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.768 7.891 0.016 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 8.930 7.025 -1.706 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.308 7.682 0.248 1.00 0.00 H new ATOM 624 N LEU C 369 13.966 8.159 -7.848 1.00 0.00 N ATOM 625 CA LEU C 369 15.106 8.982 -8.247 1.00 0.00 C ATOM 626 C LEU C 369 14.639 10.359 -8.703 1.00 0.00 C ATOM 627 O LEU C 369 15.304 11.366 -8.459 1.00 0.00 O ATOM 628 CB LEU C 369 15.882 8.299 -9.375 1.00 0.00 C ATOM 629 CG LEU C 369 16.506 6.991 -8.864 1.00 0.00 C ATOM 630 CD1 LEU C 369 17.091 6.218 -10.050 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.618 7.274 -7.833 1.00 0.00 C ATOM 0 H LEU C 369 13.823 7.324 -8.416 1.00 0.00 H new ATOM 0 HA LEU C 369 15.761 9.102 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.216 8.091 -10.212 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.662 8.964 -9.746 1.00 0.00 H new ATOM 0 HG LEU C 369 15.730 6.401 -8.376 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.536 5.288 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.299 5.992 -10.763 1.00 0.00 H new ATOM 0 HD13 LEU C 369 17.856 6.823 -10.537 1.00 0.00 H new ATOM 0 HD21 LEU C 369 18.043 6.331 -7.488 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.400 7.876 -8.297 1.00 0.00 H new ATOM 0 HD23 LEU C 369 17.199 7.815 -6.985 1.00 0.00 H new ATOM 643 N GLU C 370 13.491 10.392 -9.358 1.00 0.00 N ATOM 644 CA GLU C 370 12.937 11.650 -9.836 1.00 0.00 C ATOM 645 C GLU C 370 12.509 12.527 -8.663 1.00 0.00 C ATOM 646 O GLU C 370 12.662 13.749 -8.700 1.00 0.00 O ATOM 647 CB GLU C 370 11.738 11.385 -10.742 1.00 0.00 C ATOM 648 CG GLU C 370 12.216 10.720 -12.035 1.00 0.00 C ATOM 649 CD GLU C 370 11.023 10.387 -12.922 1.00 0.00 C ATOM 650 OE1 GLU C 370 9.910 10.679 -12.517 1.00 0.00 O ATOM 651 OE2 GLU C 370 11.242 9.849 -13.994 1.00 0.00 O ATOM 0 H GLU C 370 12.927 9.569 -9.571 1.00 0.00 H new ATOM 0 HA GLU C 370 13.708 12.171 -10.403 1.00 0.00 H new ATOM 0 HB2 GLU C 370 11.019 10.743 -10.234 1.00 0.00 H new ATOM 0 HB3 GLU C 370 11.226 12.320 -10.969 1.00 0.00 H new ATOM 0 HG2 GLU C 370 12.899 11.384 -12.564 1.00 0.00 H new ATOM 0 HG3 GLU C 370 12.772 9.811 -11.802 1.00 0.00 H new ATOM 658 N GLN C 371 11.960 11.898 -7.624 1.00 0.00 N ATOM 659 CA GLN C 371 11.508 12.638 -6.450 1.00 0.00 C ATOM 660 C GLN C 371 12.679 12.954 -5.525 1.00 0.00 C ATOM 661 O GLN C 371 12.895 14.108 -5.154 1.00 0.00 O ATOM 662 CB GLN C 371 10.464 11.818 -5.687 1.00 0.00 C ATOM 663 CG GLN C 371 9.808 12.686 -4.610 1.00 0.00 C ATOM 664 CD GLN C 371 8.955 13.769 -5.264 1.00 0.00 C ATOM 665 OE1 GLN C 371 9.450 14.860 -5.552 1.00 0.00 O ATOM 666 NE2 GLN C 371 7.700 13.530 -5.525 1.00 0.00 N ATOM 0 H GLN C 371 11.819 10.889 -7.572 1.00 0.00 H new ATOM 0 HA GLN C 371 11.064 13.575 -6.787 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.707 11.444 -6.377 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.935 10.948 -5.229 1.00 0.00 H new ATOM 0 HG2 GLN C 371 9.190 12.068 -3.959 1.00 0.00 H new ATOM 0 HG3 GLN C 371 10.573 13.143 -3.983 1.00 0.00 H new ATOM 0 HE21 GLN C 371 7.292 12.626 -5.286 1.00 0.00 H new ATOM 0 HE22 GLN C 371 7.126 14.247 -5.969 1.00 0.00 H new ATOM 675 N ASP C 372 13.427 11.920 -5.152 1.00 0.00 N ATOM 676 CA ASP C 372 14.578 12.092 -4.263 1.00 0.00 C ATOM 677 C ASP C 372 15.618 11.004 -4.508 1.00 0.00 C ATOM 678 O ASP C 372 15.277 9.856 -4.791 1.00 0.00 O ATOM 679 CB ASP C 372 14.120 12.030 -2.803 1.00 0.00 C ATOM 680 CG ASP C 372 15.187 12.628 -1.888 1.00 0.00 C ATOM 681 OD1 ASP C 372 15.892 13.520 -2.331 1.00 0.00 O ATOM 682 OD2 ASP C 372 15.283 12.185 -0.757 1.00 0.00 O ATOM 0 H ASP C 372 13.261 10.958 -5.448 1.00 0.00 H new ATOM 0 HA ASP C 372 15.027 13.063 -4.470 1.00 0.00 H new ATOM 0 HB2 ASP C 372 13.183 12.574 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP C 372 13.926 10.996 -2.519 1.00 0.00 H new ATOM 687 N THR C 373 16.891 11.372 -4.390 1.00 0.00 N ATOM 688 CA THR C 373 17.984 10.425 -4.590 1.00 0.00 C ATOM 689 C THR C 373 18.504 9.936 -3.248 1.00 0.00 C ATOM 690 O THR C 373 19.573 10.344 -2.797 1.00 0.00 O ATOM 691 CB THR C 373 19.122 11.094 -5.365 1.00 0.00 C ATOM 692 OG1 THR C 373 19.397 12.367 -4.794 1.00 0.00 O ATOM 693 CG2 THR C 373 18.712 11.265 -6.827 1.00 0.00 C ATOM 0 H THR C 373 17.191 12.319 -4.157 1.00 0.00 H new ATOM 0 HA THR C 373 17.609 9.575 -5.161 1.00 0.00 H new ATOM 0 HB THR C 373 20.015 10.472 -5.312 1.00 0.00 H new ATOM 0 HG1 THR C 373 19.631 12.258 -3.849 1.00 0.00 H new ATOM 0 HG21 THR C 373 19.522 11.741 -7.379 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.502 10.288 -7.263 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.819 11.888 -6.884 1.00 0.00 H new ATOM 701 N SER C 374 17.740 9.052 -2.619 1.00 0.00 N ATOM 702 CA SER C 374 18.136 8.501 -1.325 1.00 0.00 C ATOM 703 C SER C 374 17.591 7.098 -1.147 1.00 0.00 C ATOM 704 O SER C 374 16.617 6.721 -1.793 1.00 0.00 O ATOM 705 CB SER C 374 17.640 9.392 -0.191 1.00 0.00 C ATOM 706 OG SER C 374 16.287 9.064 0.114 1.00 0.00 O ATOM 0 H SER C 374 16.851 8.703 -2.977 1.00 0.00 H new ATOM 0 HA SER C 374 19.225 8.460 -1.297 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.266 9.258 0.691 1.00 0.00 H new ATOM 0 HB3 SER C 374 17.715 10.441 -0.479 1.00 0.00 H new ATOM 0 HG SER C 374 15.968 9.635 0.844 1.00 0.00 H new ATOM 712 N CYS C 375 18.231 6.326 -0.269 1.00 0.00 N ATOM 713 CA CYS C 375 17.800 4.958 -0.024 1.00 0.00 C ATOM 714 C CYS C 375 16.588 4.915 0.931 1.00 0.00 C ATOM 715 O CYS C 375 16.719 5.269 2.095 1.00 0.00 O ATOM 716 CB CYS C 375 18.933 4.149 0.579 1.00 0.00 C ATOM 717 SG CYS C 375 18.400 2.423 0.681 1.00 0.00 S ATOM 0 H CYS C 375 19.040 6.624 0.277 1.00 0.00 H new ATOM 0 HA CYS C 375 17.508 4.529 -0.983 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.830 4.235 -0.034 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.186 4.528 1.569 1.00 0.00 H new ATOM 0 HG CYS C 375 19.310 1.723 1.290 1.00 0.00 H new ATOM 722 N PRO C 376 15.427 4.484 0.486 1.00 0.00 N ATOM 723 CA PRO C 376 14.215 4.412 1.366 1.00 0.00 C ATOM 724 C PRO C 376 14.460 3.612 2.647 1.00 0.00 C ATOM 725 O PRO C 376 13.796 3.829 3.663 1.00 0.00 O ATOM 726 CB PRO C 376 13.165 3.706 0.486 1.00 0.00 C ATOM 727 CG PRO C 376 13.606 3.945 -0.917 1.00 0.00 C ATOM 728 CD PRO C 376 15.128 4.019 -0.880 1.00 0.00 C ATOM 0 HA PRO C 376 13.910 5.402 1.706 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.118 2.640 0.708 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.168 4.112 0.660 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.272 3.141 -1.572 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.181 4.870 -1.306 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.580 3.047 -1.079 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.513 4.710 -1.630 1.00 0.00 H new ATOM 736 N THR C 377 15.411 2.682 2.591 1.00 0.00 N ATOM 737 CA THR C 377 15.734 1.840 3.745 1.00 0.00 C ATOM 738 C THR C 377 17.063 2.244 4.360 1.00 0.00 C ATOM 739 O THR C 377 17.124 2.651 5.521 1.00 0.00 O ATOM 740 CB THR C 377 15.802 0.377 3.310 1.00 0.00 C ATOM 741 OG1 THR C 377 14.542 -0.017 2.784 1.00 0.00 O ATOM 742 CG2 THR C 377 16.150 -0.499 4.514 1.00 0.00 C ATOM 0 H THR C 377 15.972 2.491 1.761 1.00 0.00 H new ATOM 0 HA THR C 377 14.952 1.971 4.493 1.00 0.00 H new ATOM 0 HB THR C 377 16.569 0.260 2.545 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.584 -0.955 2.503 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.198 -1.543 4.203 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.116 -0.196 4.918 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.384 -0.384 5.281 1.00 0.00 H new ATOM 750 N CYS C 378 18.129 2.115 3.583 1.00 0.00 N ATOM 751 CA CYS C 378 19.451 2.456 4.076 1.00 0.00 C ATOM 752 C CYS C 378 19.530 3.941 4.417 1.00 0.00 C ATOM 753 O CYS C 378 20.404 4.351 5.173 1.00 0.00 O ATOM 754 CB CYS C 378 20.525 2.115 3.037 1.00 0.00 C ATOM 755 SG CYS C 378 20.216 0.469 2.355 1.00 0.00 S ATOM 0 H CYS C 378 18.104 1.780 2.620 1.00 0.00 H new ATOM 0 HA CYS C 378 19.631 1.870 4.977 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.520 2.857 2.238 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.513 2.149 3.497 1.00 0.00 H new ATOM 0 HG CYS C 378 20.444 0.480 1.075 1.00 0.00 H new ATOM 760 N ARG C 379 18.612 4.738 3.854 1.00 0.00 N ATOM 761 CA ARG C 379 18.595 6.185 4.109 1.00 0.00 C ATOM 762 C ARG C 379 19.857 6.830 3.546 1.00 0.00 C ATOM 763 O ARG C 379 20.067 8.035 3.682 1.00 0.00 O ATOM 764 CB ARG C 379 18.465 6.430 5.645 1.00 0.00 C ATOM 765 CG ARG C 379 19.755 7.026 6.251 1.00 0.00 C ATOM 766 CD ARG C 379 19.720 6.940 7.762 1.00 0.00 C ATOM 767 NE ARG C 379 20.935 7.543 8.281 1.00 0.00 N ATOM 768 CZ ARG C 379 21.109 7.707 9.575 1.00 0.00 C ATOM 769 NH1 ARG C 379 20.181 7.319 10.396 1.00 0.00 N ATOM 770 NH2 ARG C 379 22.204 8.254 10.027 1.00 0.00 N ATOM 0 H ARG C 379 17.879 4.410 3.225 1.00 0.00 H new ATOM 0 HA ARG C 379 17.741 6.643 3.610 1.00 0.00 H new ATOM 0 HB2 ARG C 379 17.631 7.105 5.834 1.00 0.00 H new ATOM 0 HB3 ARG C 379 18.233 5.489 6.143 1.00 0.00 H new ATOM 0 HG2 ARG C 379 20.624 6.490 5.870 1.00 0.00 H new ATOM 0 HG3 ARG C 379 19.862 8.066 5.942 1.00 0.00 H new ATOM 0 HD2 ARG C 379 18.843 7.457 8.152 1.00 0.00 H new ATOM 0 HD3 ARG C 379 19.645 5.901 8.082 1.00 0.00 H new ATOM 0 HE ARG C 379 21.664 7.844 7.634 1.00 0.00 H new ATOM 0 HH11 ARG C 379 19.328 6.892 10.036 1.00 0.00 H new ATOM 0 HH12 ARG C 379 20.305 7.441 11.401 1.00 0.00 H new ATOM 0 HH21 ARG C 379 22.929 8.556 9.377 1.00 0.00 H new ATOM 0 HH22 ARG C 379 22.335 8.379 11.031 1.00 0.00 H new ATOM 784 N MET C 380 20.720 6.018 2.956 1.00 0.00 N ATOM 785 CA MET C 380 21.981 6.532 2.436 1.00 0.00 C ATOM 786 C MET C 380 21.862 6.912 0.977 1.00 0.00 C ATOM 787 O MET C 380 21.274 6.182 0.176 1.00 0.00 O ATOM 788 CB MET C 380 23.076 5.478 2.621 1.00 0.00 C ATOM 789 CG MET C 380 24.428 6.063 2.201 1.00 0.00 C ATOM 790 SD MET C 380 25.731 4.836 2.474 1.00 0.00 S ATOM 791 CE MET C 380 25.611 4.015 0.865 1.00 0.00 C ATOM 0 H MET C 380 20.576 5.017 2.826 1.00 0.00 H new ATOM 0 HA MET C 380 22.242 7.433 2.992 1.00 0.00 H new ATOM 0 HB2 MET C 380 23.115 5.158 3.662 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.849 4.595 2.024 1.00 0.00 H new ATOM 0 HG2 MET C 380 24.400 6.351 1.150 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.639 6.966 2.774 1.00 0.00 H new ATOM 0 HE1 MET C 380 26.341 3.207 0.813 1.00 0.00 H new ATOM 0 HE2 MET C 380 24.608 3.607 0.739 1.00 0.00 H new ATOM 0 HE3 MET C 380 25.812 4.736 0.073 1.00 0.00 H new ATOM 801 N SER C 381 22.422 8.065 0.637 1.00 0.00 N ATOM 802 CA SER C 381 22.387 8.536 -0.733 1.00 0.00 C ATOM 803 C SER C 381 23.369 7.737 -1.580 1.00 0.00 C ATOM 804 O SER C 381 24.510 7.513 -1.178 1.00 0.00 O ATOM 805 CB SER C 381 22.736 10.024 -0.793 1.00 0.00 C ATOM 806 OG SER C 381 21.627 10.783 -0.326 1.00 0.00 O ATOM 0 H SER C 381 22.902 8.685 1.289 1.00 0.00 H new ATOM 0 HA SER C 381 21.380 8.398 -1.126 1.00 0.00 H new ATOM 0 HB2 SER C 381 23.615 10.229 -0.182 1.00 0.00 H new ATOM 0 HB3 SER C 381 22.984 10.311 -1.815 1.00 0.00 H new ATOM 0 HG SER C 381 20.892 10.720 -0.972 1.00 0.00 H new ATOM 812 N LEU C 382 22.919 7.311 -2.755 1.00 0.00 N ATOM 813 CA LEU C 382 23.766 6.535 -3.656 1.00 0.00 C ATOM 814 C LEU C 382 24.468 7.462 -4.644 1.00 0.00 C ATOM 815 O LEU C 382 23.819 8.185 -5.400 1.00 0.00 O ATOM 816 CB LEU C 382 22.914 5.520 -4.427 1.00 0.00 C ATOM 817 CG LEU C 382 21.583 6.177 -4.876 1.00 0.00 C ATOM 818 CD1 LEU C 382 21.170 5.636 -6.250 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.478 5.867 -3.857 1.00 0.00 C ATOM 0 H LEU C 382 21.978 7.488 -3.105 1.00 0.00 H new ATOM 0 HA LEU C 382 24.514 6.007 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU C 382 23.462 5.159 -5.297 1.00 0.00 H new ATOM 0 HB3 LEU C 382 22.708 4.654 -3.798 1.00 0.00 H new ATOM 0 HG LEU C 382 21.727 7.256 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU C 382 20.234 6.102 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU C 382 21.947 5.864 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU C 382 21.035 4.556 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.546 6.332 -4.179 1.00 0.00 H new ATOM 0 HD22 LEU C 382 20.340 4.788 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.762 6.261 -2.881 1.00 0.00 H new