USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 635 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: A 417 HIS : no HD1:sc= -0.9 X(o=-1.8,f=-2) USER MOD Set 1.2: A 421 CYS SG : rot -88:sc= 0.347 USER MOD Set 1.3: A 426 CYS SG : rot 145:sc= -0.119 USER MOD Set 1.4: A 429 CYS SG : rot 158:sc= -1.15 USER MOD Set 2.1: A 393 HIS :FLIP no HD1:sc= -0.121 F(o=-1.1,f=0.26) USER MOD Set 2.2: A 397 CYS SG : rot 157:sc= 0.129 USER MOD Set 2.3: A 403 CYS SG : rot 120:sc= -0.416 USER MOD Set 2.4: A 408 CYS SG : rot 125:sc= 0.671 USER MOD Set 3.1: A 394 MET CE :methyl 177:sc= -0.637 (180deg=-0.287) USER MOD Set 3.2: A 411 SER OG : rot -44:sc= 0.916 USER MOD Set 4.1: A 367 GLN : amide:sc= 0.595 K(o=1.6,f=-0.8) USER MOD Set 4.2: A 371 GLN : amide:sc= 1.05 K(o=1.6,f=-0.32) USER MOD Set 5.1: A 362 HIS :FLIP no HD1:sc= 0.277 F(o=-1.6,f=0.63) USER MOD Set 5.2: A 366 CYS SG : rot -157:sc= -0.135 USER MOD Set 5.3: A 384 CYS SG : rot 92:sc= -0.695 USER MOD Set 5.4: A 388 LYS NZ :NH3+ 180:sc= 1.18 (180deg=0.804) USER MOD Set 6.1: A 356 GLN : amide:sc= -0.188 K(o=-0.5,f=-2.2) USER MOD Set 6.2: A 387 MET CE :methyl 175:sc= -0.31 (180deg=-0.427) USER MOD Single : A 349 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.02) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 355 GLN : amide:sc= -0.072 X(o=-0.072,f=-0.072) USER MOD Single : A 364 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 392 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 THR OG1 : rot 180:sc= 0 USER MOD Single : A 396 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 407 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 410 SER OG : rot 84:sc= 0.83 USER MOD Single : A 413 GLN : amide:sc= -0.063 X(o=-0.063,f=-0.44) USER MOD Single : A 416 SER OG : rot 89:sc= 0.00633 USER MOD Single : A 419 LYS NZ :NH3+ -123:sc= -0.0126 (180deg=-0.356) USER MOD Single : A 420 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 HIS : no HE2:sc= 0.846 K(o=0.85,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 347 3.914 -15.808 15.507 1.00 0.00 N ATOM 85 CA PRO A 347 3.365 -14.467 15.725 1.00 0.00 C ATOM 86 C PRO A 347 4.152 -13.293 15.133 1.00 0.00 C ATOM 87 O PRO A 347 3.529 -12.362 14.632 1.00 0.00 O ATOM 88 CB PRO A 347 3.208 -14.310 17.238 1.00 0.00 C ATOM 89 CG PRO A 347 3.077 -15.746 17.735 1.00 0.00 C ATOM 90 CD PRO A 347 3.965 -16.530 16.772 1.00 0.00 C ATOM 0 HA PRO A 347 2.423 -14.411 15.180 1.00 0.00 H new ATOM 0 HB2 PRO A 347 4.069 -13.809 17.681 1.00 0.00 H new ATOM 0 HB3 PRO A 347 2.329 -13.716 17.491 1.00 0.00 H new ATOM 0 HG2 PRO A 347 3.414 -15.847 18.767 1.00 0.00 H new ATOM 0 HG3 PRO A 347 2.044 -16.091 17.702 1.00 0.00 H new ATOM 0 HD2 PRO A 347 4.987 -16.592 17.146 1.00 0.00 H new ATOM 0 HD3 PRO A 347 3.606 -17.552 16.653 1.00 0.00 H new ATOM 98 N GLU A 348 5.488 -13.320 15.118 1.00 0.00 N ATOM 99 CA GLU A 348 6.306 -12.253 14.508 1.00 0.00 C ATOM 100 C GLU A 348 6.073 -12.218 12.995 1.00 0.00 C ATOM 101 O GLU A 348 5.950 -11.153 12.393 1.00 0.00 O ATOM 102 CB GLU A 348 7.810 -12.479 14.741 1.00 0.00 C ATOM 103 CG GLU A 348 8.265 -12.483 16.207 1.00 0.00 C ATOM 104 CD GLU A 348 8.467 -11.055 16.747 1.00 0.00 C ATOM 105 OE1 GLU A 348 7.464 -10.385 17.088 1.00 0.00 O ATOM 106 OE2 GLU A 348 9.630 -10.592 16.839 1.00 0.00 O ATOM 0 H GLU A 348 6.037 -14.077 15.525 1.00 0.00 H new ATOM 0 HA GLU A 348 6.006 -11.316 14.977 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.089 -13.432 14.291 1.00 0.00 H new ATOM 0 HB3 GLU A 348 8.361 -11.702 14.211 1.00 0.00 H new ATOM 0 HG2 GLU A 348 7.524 -13.000 16.816 1.00 0.00 H new ATOM 0 HG3 GLU A 348 9.197 -13.041 16.297 1.00 0.00 H new ATOM 113 N LYS A 349 5.935 -13.398 12.386 1.00 0.00 N ATOM 114 CA LYS A 349 5.634 -13.565 10.969 1.00 0.00 C ATOM 115 C LYS A 349 4.287 -12.916 10.689 1.00 0.00 C ATOM 116 O LYS A 349 4.216 -12.067 9.818 1.00 0.00 O ATOM 117 CB LYS A 349 5.663 -15.056 10.603 1.00 0.00 C ATOM 118 CG LYS A 349 5.813 -15.285 9.096 1.00 0.00 C ATOM 119 CD LYS A 349 5.801 -16.792 8.818 1.00 0.00 C ATOM 120 CE LYS A 349 6.070 -17.099 7.342 1.00 0.00 C ATOM 121 NZ LYS A 349 6.032 -18.564 7.099 1.00 0.00 N ATOM 0 H LYS A 349 6.033 -14.285 12.881 1.00 0.00 H new ATOM 0 HA LYS A 349 6.383 -13.077 10.346 1.00 0.00 H new ATOM 0 HB2 LYS A 349 6.489 -15.539 11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 349 4.745 -15.530 10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 349 5.001 -14.796 8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 349 6.743 -14.843 8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 349 6.555 -17.282 9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 349 4.835 -17.207 9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 349 5.326 -16.602 6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 349 7.043 -16.702 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 6.216 -18.754 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 6.758 -19.031 7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 5.094 -18.934 7.355 1.00 0.00 H new ATOM 135 N ARG A 350 3.245 -13.242 11.461 1.00 0.00 N ATOM 136 CA ARG A 350 1.895 -12.651 11.327 1.00 0.00 C ATOM 137 C ARG A 350 1.922 -11.125 11.210 1.00 0.00 C ATOM 138 O ARG A 350 1.497 -10.593 10.183 1.00 0.00 O ATOM 139 CB ARG A 350 0.947 -13.140 12.445 1.00 0.00 C ATOM 140 CG ARG A 350 0.791 -14.666 12.606 1.00 0.00 C ATOM 141 CD ARG A 350 0.777 -15.484 11.306 1.00 0.00 C ATOM 142 NE ARG A 350 -0.236 -14.994 10.348 1.00 0.00 N ATOM 143 CZ ARG A 350 -0.224 -15.137 9.034 1.00 0.00 C ATOM 144 NH1 ARG A 350 0.686 -15.836 8.417 1.00 0.00 N ATOM 145 NH2 ARG A 350 -1.137 -14.566 8.305 1.00 0.00 N ATOM 0 H ARG A 350 3.309 -13.933 12.209 1.00 0.00 H new ATOM 0 HA ARG A 350 1.489 -13.011 10.382 1.00 0.00 H new ATOM 0 HB2 ARG A 350 1.300 -12.733 13.392 1.00 0.00 H new ATOM 0 HB3 ARG A 350 -0.040 -12.715 12.264 1.00 0.00 H new ATOM 0 HG2 ARG A 350 1.606 -15.030 13.232 1.00 0.00 H new ATOM 0 HG3 ARG A 350 -0.136 -14.861 13.144 1.00 0.00 H new ATOM 0 HD2 ARG A 350 1.763 -15.443 10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 350 0.578 -16.530 11.539 1.00 0.00 H new ATOM 0 HE ARG A 350 -1.030 -14.491 10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 350 1.424 -16.297 8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 350 0.661 -15.923 7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 350 -1.866 -14.005 8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 350 -1.124 -14.679 7.291 1.00 0.00 H new ATOM 159 N LYS A 351 2.459 -10.423 12.212 1.00 0.00 N ATOM 160 CA LYS A 351 2.566 -8.945 12.220 1.00 0.00 C ATOM 161 C LYS A 351 3.450 -8.393 11.102 1.00 0.00 C ATOM 162 O LYS A 351 2.963 -7.582 10.314 1.00 0.00 O ATOM 163 CB LYS A 351 2.999 -8.359 13.584 1.00 0.00 C ATOM 164 CG LYS A 351 3.623 -9.374 14.542 1.00 0.00 C ATOM 165 CD LYS A 351 4.352 -8.726 15.718 1.00 0.00 C ATOM 166 CE LYS A 351 4.251 -9.632 16.952 1.00 0.00 C ATOM 167 NZ LYS A 351 5.177 -9.200 18.027 1.00 0.00 N ATOM 0 H LYS A 351 2.838 -10.860 13.052 1.00 0.00 H new ATOM 0 HA LYS A 351 1.546 -8.611 12.032 1.00 0.00 H new ATOM 0 HB2 LYS A 351 3.715 -7.556 13.409 1.00 0.00 H new ATOM 0 HB3 LYS A 351 2.129 -7.911 14.065 1.00 0.00 H new ATOM 0 HG2 LYS A 351 2.841 -10.030 14.925 1.00 0.00 H new ATOM 0 HG3 LYS A 351 4.323 -10.001 13.990 1.00 0.00 H new ATOM 0 HD2 LYS A 351 5.398 -8.559 15.462 1.00 0.00 H new ATOM 0 HD3 LYS A 351 3.917 -7.750 15.935 1.00 0.00 H new ATOM 0 HE2 LYS A 351 3.228 -9.623 17.328 1.00 0.00 H new ATOM 0 HE3 LYS A 351 4.477 -10.660 16.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 4.832 -9.550 18.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 6.126 -9.585 17.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 5.223 -8.161 18.049 1.00 0.00 H new ATOM 181 N LEU A 352 4.717 -8.809 10.981 1.00 0.00 N ATOM 182 CA LEU A 352 5.549 -8.290 9.896 1.00 0.00 C ATOM 183 C LEU A 352 5.060 -8.630 8.477 1.00 0.00 C ATOM 184 O LEU A 352 5.044 -7.743 7.631 1.00 0.00 O ATOM 185 CB LEU A 352 7.061 -8.464 10.124 1.00 0.00 C ATOM 186 CG LEU A 352 7.598 -8.446 11.571 1.00 0.00 C ATOM 187 CD1 LEU A 352 9.049 -8.921 11.604 1.00 0.00 C ATOM 188 CD2 LEU A 352 7.539 -7.025 12.133 1.00 0.00 C ATOM 0 H LEU A 352 5.174 -9.480 11.599 1.00 0.00 H new ATOM 0 HA LEU A 352 5.399 -7.212 9.946 1.00 0.00 H new ATOM 0 HB2 LEU A 352 7.357 -9.411 9.673 1.00 0.00 H new ATOM 0 HB3 LEU A 352 7.572 -7.675 9.572 1.00 0.00 H new ATOM 0 HG LEU A 352 6.979 -9.112 12.173 1.00 0.00 H new ATOM 0 HD11 LEU A 352 9.414 -8.903 12.631 1.00 0.00 H new ATOM 0 HD12 LEU A 352 9.108 -9.938 11.216 1.00 0.00 H new ATOM 0 HD13 LEU A 352 9.662 -8.262 10.989 1.00 0.00 H new ATOM 0 HD21 LEU A 352 7.920 -7.022 13.154 1.00 0.00 H new ATOM 0 HD22 LEU A 352 8.148 -6.364 11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 352 6.507 -6.675 12.129 1.00 0.00 H new ATOM 200 N ILE A 353 4.599 -9.853 8.198 1.00 0.00 N ATOM 201 CA ILE A 353 4.096 -10.245 6.863 1.00 0.00 C ATOM 202 C ILE A 353 2.802 -9.504 6.493 1.00 0.00 C ATOM 203 O ILE A 353 2.666 -8.975 5.384 1.00 0.00 O ATOM 204 CB ILE A 353 3.979 -11.788 6.773 1.00 0.00 C ATOM 205 CG1 ILE A 353 4.467 -12.314 5.413 1.00 0.00 C ATOM 206 CG2 ILE A 353 2.590 -12.367 7.120 1.00 0.00 C ATOM 207 CD1 ILE A 353 4.788 -13.815 5.447 1.00 0.00 C ATOM 0 H ILE A 353 4.561 -10.605 8.886 1.00 0.00 H new ATOM 0 HA ILE A 353 4.819 -9.935 6.108 1.00 0.00 H new ATOM 0 HB ILE A 353 4.641 -12.152 7.559 1.00 0.00 H new ATOM 0 HG12 ILE A 353 3.703 -12.126 4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 353 5.357 -11.762 5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 353 2.615 -13.453 7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 353 2.328 -12.097 8.143 1.00 0.00 H new ATOM 0 HG23 ILE A 353 1.845 -11.961 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 353 5.128 -14.137 4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 353 5.572 -14.003 6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 353 3.892 -14.372 5.721 1.00 0.00 H new ATOM 219 N GLN A 354 1.859 -9.398 7.434 1.00 0.00 N ATOM 220 CA GLN A 354 0.630 -8.644 7.170 1.00 0.00 C ATOM 221 C GLN A 354 0.926 -7.143 7.008 1.00 0.00 C ATOM 222 O GLN A 354 0.292 -6.484 6.181 1.00 0.00 O ATOM 223 CB GLN A 354 -0.476 -8.969 8.189 1.00 0.00 C ATOM 224 CG GLN A 354 -0.392 -8.292 9.565 1.00 0.00 C ATOM 225 CD GLN A 354 -1.203 -7.000 9.643 1.00 0.00 C ATOM 226 OE1 GLN A 354 -0.678 -5.896 9.617 1.00 0.00 O ATOM 227 NE2 GLN A 354 -2.515 -7.084 9.738 1.00 0.00 N ATOM 0 H GLN A 354 1.919 -9.814 8.364 1.00 0.00 H new ATOM 0 HA GLN A 354 0.224 -8.969 6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -1.434 -8.704 7.742 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -0.484 -10.048 8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -0.748 -8.985 10.327 1.00 0.00 H new ATOM 0 HG3 GLN A 354 0.651 -8.074 9.794 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -2.967 -7.998 9.761 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -3.078 -6.235 9.789 1.00 0.00 H new ATOM 236 N GLN A 355 1.941 -6.612 7.709 1.00 0.00 N ATOM 237 CA GLN A 355 2.341 -5.216 7.562 1.00 0.00 C ATOM 238 C GLN A 355 3.057 -5.003 6.225 1.00 0.00 C ATOM 239 O GLN A 355 2.892 -3.957 5.611 1.00 0.00 O ATOM 240 CB GLN A 355 3.195 -4.787 8.752 1.00 0.00 C ATOM 241 CG GLN A 355 3.569 -3.295 8.770 1.00 0.00 C ATOM 242 CD GLN A 355 2.351 -2.379 8.892 1.00 0.00 C ATOM 243 OE1 GLN A 355 1.921 -1.731 7.948 1.00 0.00 O ATOM 244 NE2 GLN A 355 1.740 -2.291 10.056 1.00 0.00 N ATOM 0 H GLN A 355 2.497 -7.137 8.384 1.00 0.00 H new ATOM 0 HA GLN A 355 1.453 -4.584 7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 355 2.659 -5.024 9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 355 4.111 -5.377 8.756 1.00 0.00 H new ATOM 0 HG2 GLN A 355 4.245 -3.105 9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 355 4.112 -3.050 7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 355 2.084 -2.824 10.854 1.00 0.00 H new ATOM 0 HE22 GLN A 355 0.922 -1.690 10.159 1.00 0.00 H new ATOM 253 N GLN A 356 3.825 -5.988 5.749 1.00 0.00 N ATOM 254 CA GLN A 356 4.571 -5.908 4.490 1.00 0.00 C ATOM 255 C GLN A 356 3.539 -5.756 3.371 1.00 0.00 C ATOM 256 O GLN A 356 3.654 -4.847 2.557 1.00 0.00 O ATOM 257 CB GLN A 356 5.277 -7.241 4.222 1.00 0.00 C ATOM 258 CG GLN A 356 6.679 -7.307 4.831 1.00 0.00 C ATOM 259 CD GLN A 356 7.685 -6.365 4.177 1.00 0.00 C ATOM 260 OE1 GLN A 356 8.204 -6.627 3.102 1.00 0.00 O ATOM 261 NE2 GLN A 356 8.003 -5.247 4.798 1.00 0.00 N ATOM 0 H GLN A 356 3.947 -6.876 6.235 1.00 0.00 H new ATOM 0 HA GLN A 356 5.288 -5.089 4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 356 4.673 -8.054 4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 356 5.346 -7.399 3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 356 6.614 -7.072 5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 356 7.050 -8.329 4.753 1.00 0.00 H new ATOM 0 HE21 GLN A 356 7.574 -5.022 5.695 1.00 0.00 H new ATOM 0 HE22 GLN A 356 8.679 -4.606 4.381 1.00 0.00 H new ATOM 270 N LEU A 357 2.518 -6.631 3.360 1.00 0.00 N ATOM 271 CA LEU A 357 1.436 -6.595 2.373 1.00 0.00 C ATOM 272 C LEU A 357 0.690 -5.240 2.456 1.00 0.00 C ATOM 273 O LEU A 357 0.562 -4.536 1.456 1.00 0.00 O ATOM 274 CB LEU A 357 0.502 -7.802 2.634 1.00 0.00 C ATOM 275 CG LEU A 357 -0.207 -8.360 1.383 1.00 0.00 C ATOM 276 CD1 LEU A 357 -1.365 -9.277 1.764 1.00 0.00 C ATOM 277 CD2 LEU A 357 -0.705 -7.262 0.467 1.00 0.00 C ATOM 0 H LEU A 357 2.424 -7.385 4.041 1.00 0.00 H new ATOM 0 HA LEU A 357 1.828 -6.675 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 357 1.086 -8.602 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 357 -0.255 -7.506 3.360 1.00 0.00 H new ATOM 0 HG LEU A 357 0.541 -8.938 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -1.844 -9.653 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 357 -0.988 -10.115 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -2.092 -8.719 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -1.197 -7.706 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -1.415 -6.634 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 357 0.137 -6.655 0.135 1.00 0.00 H new ATOM 289 N VAL A 358 0.248 -4.823 3.649 1.00 0.00 N ATOM 290 CA VAL A 358 -0.433 -3.525 3.857 1.00 0.00 C ATOM 291 C VAL A 358 0.414 -2.328 3.391 1.00 0.00 C ATOM 292 O VAL A 358 -0.117 -1.385 2.802 1.00 0.00 O ATOM 293 CB VAL A 358 -0.828 -3.387 5.346 1.00 0.00 C ATOM 294 CG1 VAL A 358 -1.184 -1.954 5.776 1.00 0.00 C ATOM 295 CG2 VAL A 358 -2.033 -4.293 5.656 1.00 0.00 C ATOM 0 H VAL A 358 0.349 -5.372 4.503 1.00 0.00 H new ATOM 0 HA VAL A 358 -1.331 -3.514 3.239 1.00 0.00 H new ATOM 0 HB VAL A 358 0.058 -3.683 5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 358 -1.449 -1.947 6.833 1.00 0.00 H new ATOM 0 HG12 VAL A 358 -0.327 -1.301 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 358 -2.029 -1.597 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 358 -2.305 -4.190 6.707 1.00 0.00 H new ATOM 0 HG22 VAL A 358 -2.878 -4.001 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 358 -1.771 -5.331 5.449 1.00 0.00 H new ATOM 305 N LEU A 359 1.730 -2.364 3.607 1.00 0.00 N ATOM 306 CA LEU A 359 2.675 -1.304 3.239 1.00 0.00 C ATOM 307 C LEU A 359 2.988 -1.311 1.736 1.00 0.00 C ATOM 308 O LEU A 359 3.186 -0.257 1.142 1.00 0.00 O ATOM 309 CB LEU A 359 3.939 -1.455 4.099 1.00 0.00 C ATOM 310 CG LEU A 359 4.949 -0.306 3.959 1.00 0.00 C ATOM 311 CD1 LEU A 359 4.406 1.032 4.464 1.00 0.00 C ATOM 312 CD2 LEU A 359 6.203 -0.640 4.762 1.00 0.00 C ATOM 0 H LEU A 359 2.184 -3.158 4.058 1.00 0.00 H new ATOM 0 HA LEU A 359 2.224 -0.332 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 359 3.643 -1.536 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 359 4.433 -2.390 3.834 1.00 0.00 H new ATOM 0 HG LEU A 359 5.163 -0.203 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 359 5.166 1.804 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 359 3.517 1.302 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 359 4.148 0.945 5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.923 0.172 4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 359 5.939 -0.769 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 359 6.643 -1.562 4.382 1.00 0.00 H new ATOM 324 N LEU A 360 2.972 -2.484 1.102 1.00 0.00 N ATOM 325 CA LEU A 360 3.107 -2.676 -0.345 1.00 0.00 C ATOM 326 C LEU A 360 1.921 -2.032 -1.067 1.00 0.00 C ATOM 327 O LEU A 360 2.079 -1.277 -2.029 1.00 0.00 O ATOM 328 CB LEU A 360 3.109 -4.196 -0.607 1.00 0.00 C ATOM 329 CG LEU A 360 4.447 -4.833 -1.025 1.00 0.00 C ATOM 330 CD1 LEU A 360 5.700 -4.199 -0.413 1.00 0.00 C ATOM 331 CD2 LEU A 360 4.443 -6.312 -0.633 1.00 0.00 C ATOM 0 H LEU A 360 2.860 -3.365 1.603 1.00 0.00 H new ATOM 0 HA LEU A 360 4.025 -2.216 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 360 2.764 -4.696 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.376 -4.406 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 360 4.509 -4.672 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 360 6.586 -4.723 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 360 5.756 -3.150 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 360 5.651 -4.273 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.388 -6.769 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 360 4.316 -6.402 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 360 3.622 -6.820 -1.139 1.00 0.00 H new ATOM 343 N LEU A 361 0.722 -2.313 -0.562 1.00 0.00 N ATOM 344 CA LEU A 361 -0.508 -1.736 -1.081 1.00 0.00 C ATOM 345 C LEU A 361 -0.545 -0.233 -0.802 1.00 0.00 C ATOM 346 O LEU A 361 -0.927 0.519 -1.697 1.00 0.00 O ATOM 347 CB LEU A 361 -1.700 -2.503 -0.507 1.00 0.00 C ATOM 348 CG LEU A 361 -1.694 -3.980 -0.959 1.00 0.00 C ATOM 349 CD1 LEU A 361 -2.915 -4.671 -0.368 1.00 0.00 C ATOM 350 CD2 LEU A 361 -1.742 -4.171 -2.478 1.00 0.00 C ATOM 0 H LEU A 361 0.580 -2.950 0.222 1.00 0.00 H new ATOM 0 HA LEU A 361 -0.558 -1.836 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 361 -1.675 -2.455 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 361 -2.628 -2.028 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 361 -0.753 -4.404 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 361 -2.927 -5.716 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 361 -2.874 -4.615 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 361 -3.820 -4.177 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 361 -1.735 -5.236 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 361 -2.652 -3.719 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 361 -0.874 -3.694 -2.932 1.00 0.00 H new ATOM 362 N HIS A 362 -0.064 0.216 0.368 1.00 0.00 N ATOM 363 CA HIS A 362 0.100 1.644 0.640 1.00 0.00 C ATOM 364 C HIS A 362 1.066 2.251 -0.386 1.00 0.00 C ATOM 365 O HIS A 362 0.756 3.290 -0.945 1.00 0.00 O ATOM 366 CB HIS A 362 0.580 1.927 2.074 1.00 0.00 C ATOM 367 CG HIS A 362 0.711 3.412 2.353 1.00 0.00 C ATOM 368 ND1 HIS A 362 1.697 4.247 1.893 1.00 0.00 N flip ATOM 369 CD2 HIS A 362 -0.187 4.202 3.036 1.00 0.00 C flip ATOM 370 CE1 HIS A 362 1.384 5.557 2.276 1.00 0.00 C flip ATOM 371 NE2 HIS A 362 0.242 5.476 2.976 1.00 0.00 N flip ATOM 0 H HIS A 362 0.217 -0.392 1.137 1.00 0.00 H new ATOM 0 HA HIS A 362 -0.880 2.113 0.548 1.00 0.00 H new ATOM 0 HB2 HIS A 362 -0.121 1.486 2.783 1.00 0.00 H new ATOM 0 HB3 HIS A 362 1.543 1.443 2.235 1.00 0.00 H new ATOM 0 HD2 HIS A 362 -1.082 3.858 3.534 1.00 0.00 H new ATOM 0 HE1 HIS A 362 1.947 6.451 2.053 1.00 0.00 H new ATOM 0 HE2 HIS A 362 -0.235 6.270 3.403 1.00 0.00 H new ATOM 379 N ALA A 363 2.207 1.622 -0.682 1.00 0.00 N ATOM 380 CA ALA A 363 3.163 2.110 -1.674 1.00 0.00 C ATOM 381 C ALA A 363 2.526 2.264 -3.070 1.00 0.00 C ATOM 382 O ALA A 363 2.751 3.286 -3.717 1.00 0.00 O ATOM 383 CB ALA A 363 4.398 1.203 -1.673 1.00 0.00 C ATOM 0 H ALA A 363 2.494 0.752 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 363 3.481 3.116 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 363 5.114 1.563 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 363 4.858 1.216 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 363 4.101 0.184 -1.922 1.00 0.00 H new ATOM 389 N HIS A 364 1.697 1.312 -3.521 1.00 0.00 N ATOM 390 CA HIS A 364 0.965 1.405 -4.792 1.00 0.00 C ATOM 391 C HIS A 364 0.013 2.620 -4.799 1.00 0.00 C ATOM 392 O HIS A 364 0.125 3.536 -5.624 1.00 0.00 O ATOM 393 CB HIS A 364 0.194 0.095 -5.026 1.00 0.00 C ATOM 394 CG HIS A 364 -0.413 0.012 -6.402 1.00 0.00 C ATOM 395 ND1 HIS A 364 -1.749 0.134 -6.714 1.00 0.00 N ATOM 396 CD2 HIS A 364 0.260 -0.177 -7.580 1.00 0.00 C ATOM 397 CE1 HIS A 364 -1.881 0.023 -8.047 1.00 0.00 C ATOM 398 NE2 HIS A 364 -0.678 -0.169 -8.621 1.00 0.00 N ATOM 0 H HIS A 364 1.514 0.449 -3.010 1.00 0.00 H new ATOM 0 HA HIS A 364 1.676 1.552 -5.605 1.00 0.00 H new ATOM 0 HB2 HIS A 364 0.868 -0.749 -4.880 1.00 0.00 H new ATOM 0 HB3 HIS A 364 -0.595 0.005 -4.280 1.00 0.00 H new ATOM 0 HD2 HIS A 364 1.326 -0.309 -7.688 1.00 0.00 H new ATOM 0 HE1 HIS A 364 -2.818 0.080 -8.581 1.00 0.00 H new ATOM 0 HE2 HIS A 364 -0.487 -0.286 -9.616 1.00 0.00 H new ATOM 406 N LYS A 365 -0.869 2.654 -3.790 1.00 0.00 N ATOM 407 CA LYS A 365 -1.799 3.748 -3.450 1.00 0.00 C ATOM 408 C LYS A 365 -1.145 5.122 -3.476 1.00 0.00 C ATOM 409 O LYS A 365 -1.653 6.062 -4.086 1.00 0.00 O ATOM 410 CB LYS A 365 -2.349 3.431 -2.039 1.00 0.00 C ATOM 411 CG LYS A 365 -2.726 4.639 -1.164 1.00 0.00 C ATOM 412 CD LYS A 365 -3.352 4.142 0.149 1.00 0.00 C ATOM 413 CE LYS A 365 -4.035 5.310 0.876 1.00 0.00 C ATOM 414 NZ LYS A 365 -4.760 4.857 2.094 1.00 0.00 N ATOM 0 H LYS A 365 -0.960 1.868 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 365 -2.591 3.797 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 365 -3.232 2.801 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 365 -1.602 2.843 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 365 -1.841 5.240 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 365 -3.429 5.281 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 365 -4.079 3.356 -0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 365 -2.583 3.705 0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 365 -3.287 6.052 1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 365 -4.734 5.800 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 -5.207 5.674 2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 -5.491 4.168 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 -4.089 4.412 2.752 1.00 0.00 H new ATOM 428 N CYS A 366 -0.043 5.221 -2.750 1.00 0.00 N ATOM 429 CA CYS A 366 0.710 6.422 -2.500 1.00 0.00 C ATOM 430 C CYS A 366 1.523 6.836 -3.736 1.00 0.00 C ATOM 431 O CYS A 366 1.671 8.026 -3.969 1.00 0.00 O ATOM 432 CB CYS A 366 1.474 6.159 -1.206 1.00 0.00 C ATOM 433 SG CYS A 366 2.360 7.594 -0.569 1.00 0.00 S ATOM 0 H CYS A 366 0.369 4.407 -2.294 1.00 0.00 H new ATOM 0 HA CYS A 366 0.099 7.311 -2.343 1.00 0.00 H new ATOM 0 HB2 CYS A 366 0.773 5.812 -0.447 1.00 0.00 H new ATOM 0 HB3 CYS A 366 2.186 5.351 -1.375 1.00 0.00 H new ATOM 0 HG CYS A 366 3.325 7.199 0.207 1.00 0.00 H new ATOM 438 N GLN A 367 1.997 5.911 -4.579 1.00 0.00 N ATOM 439 CA GLN A 367 2.647 6.243 -5.860 1.00 0.00 C ATOM 440 C GLN A 367 1.614 6.902 -6.794 1.00 0.00 C ATOM 441 O GLN A 367 1.856 7.993 -7.322 1.00 0.00 O ATOM 442 CB GLN A 367 3.288 4.970 -6.448 1.00 0.00 C ATOM 443 CG GLN A 367 3.977 5.160 -7.810 1.00 0.00 C ATOM 444 CD GLN A 367 3.020 5.016 -8.993 1.00 0.00 C ATOM 445 OE1 GLN A 367 2.604 5.985 -9.614 1.00 0.00 O ATOM 446 NE2 GLN A 367 2.632 3.814 -9.357 1.00 0.00 N ATOM 0 H GLN A 367 1.942 4.909 -4.395 1.00 0.00 H new ATOM 0 HA GLN A 367 3.452 6.964 -5.723 1.00 0.00 H new ATOM 0 HB2 GLN A 367 4.021 4.588 -5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 367 2.516 4.207 -6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 367 4.438 6.147 -7.842 1.00 0.00 H new ATOM 0 HG3 GLN A 367 4.780 4.429 -7.909 1.00 0.00 H new ATOM 0 HE21 GLN A 367 2.968 2.995 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 367 1.995 3.701 -10.145 1.00 0.00 H new ATOM 455 N ARG A 368 0.426 6.289 -6.918 1.00 0.00 N ATOM 456 CA ARG A 368 -0.730 6.835 -7.657 1.00 0.00 C ATOM 457 C ARG A 368 -1.091 8.232 -7.164 1.00 0.00 C ATOM 458 O ARG A 368 -1.188 9.171 -7.953 1.00 0.00 O ATOM 459 CB ARG A 368 -1.877 5.812 -7.522 1.00 0.00 C ATOM 460 CG ARG A 368 -3.250 6.264 -8.048 1.00 0.00 C ATOM 461 CD ARG A 368 -4.380 5.422 -7.437 1.00 0.00 C ATOM 462 NE ARG A 368 -4.553 5.711 -5.996 1.00 0.00 N ATOM 463 CZ ARG A 368 -5.553 5.324 -5.223 1.00 0.00 C ATOM 464 NH1 ARG A 368 -6.506 4.538 -5.624 1.00 0.00 N ATOM 465 NH2 ARG A 368 -5.648 5.722 -3.992 1.00 0.00 N ATOM 0 H ARG A 368 0.235 5.379 -6.499 1.00 0.00 H new ATOM 0 HA ARG A 368 -0.501 6.970 -8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -1.590 4.902 -8.049 1.00 0.00 H new ATOM 0 HB3 ARG A 368 -1.982 5.550 -6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 368 -3.406 7.316 -7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 368 -3.274 6.177 -9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 368 -5.312 5.625 -7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -4.161 4.363 -7.573 1.00 0.00 H new ATOM 0 HE ARG A 368 -3.823 6.268 -5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -6.508 4.186 -6.581 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -7.253 4.273 -4.982 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -4.942 6.347 -3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 368 -6.429 5.410 -3.414 1.00 0.00 H new ATOM 479 N ARG A 369 -1.242 8.372 -5.850 1.00 0.00 N ATOM 480 CA ARG A 369 -1.572 9.619 -5.154 1.00 0.00 C ATOM 481 C ARG A 369 -0.532 10.712 -5.392 1.00 0.00 C ATOM 482 O ARG A 369 -0.879 11.850 -5.692 1.00 0.00 O ATOM 483 CB ARG A 369 -1.669 9.244 -3.665 1.00 0.00 C ATOM 484 CG ARG A 369 -1.672 10.330 -2.572 1.00 0.00 C ATOM 485 CD ARG A 369 -0.883 9.777 -1.367 1.00 0.00 C ATOM 486 NE ARG A 369 -1.182 10.470 -0.103 1.00 0.00 N ATOM 487 CZ ARG A 369 -0.645 10.192 1.075 1.00 0.00 C ATOM 488 NH1 ARG A 369 0.297 9.302 1.221 1.00 0.00 N ATOM 489 NH2 ARG A 369 -1.063 10.802 2.147 1.00 0.00 N ATOM 0 H ARG A 369 -1.133 7.586 -5.209 1.00 0.00 H new ATOM 0 HA ARG A 369 -2.506 10.039 -5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -2.583 8.663 -3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -0.835 8.576 -3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 369 -1.214 11.247 -2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -2.693 10.578 -2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -1.106 8.716 -1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 369 0.184 9.858 -1.573 1.00 0.00 H new ATOM 0 HE ARG A 369 -1.862 11.230 -0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 369 0.646 8.791 0.410 1.00 0.00 H new ATOM 0 HH12 ARG A 369 0.685 9.117 2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -1.807 11.497 2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 369 -0.647 10.585 3.052 1.00 0.00 H new ATOM 503 N GLU A 370 0.739 10.354 -5.265 1.00 0.00 N ATOM 504 CA GLU A 370 1.890 11.243 -5.436 1.00 0.00 C ATOM 505 C GLU A 370 1.929 11.846 -6.841 1.00 0.00 C ATOM 506 O GLU A 370 1.929 13.069 -7.004 1.00 0.00 O ATOM 507 CB GLU A 370 3.157 10.424 -5.172 1.00 0.00 C ATOM 508 CG GLU A 370 4.467 11.206 -5.209 1.00 0.00 C ATOM 509 CD GLU A 370 5.663 10.283 -4.918 1.00 0.00 C ATOM 510 OE1 GLU A 370 5.552 9.369 -4.067 1.00 0.00 O ATOM 511 OE2 GLU A 370 6.757 10.477 -5.493 1.00 0.00 O ATOM 0 H GLU A 370 1.011 9.399 -5.031 1.00 0.00 H new ATOM 0 HA GLU A 370 1.816 12.075 -4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 370 3.065 9.950 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 370 3.211 9.624 -5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 370 4.590 11.671 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 370 4.436 12.011 -4.475 1.00 0.00 H new ATOM 518 N GLN A 371 1.919 10.979 -7.860 1.00 0.00 N ATOM 519 CA GLN A 371 1.907 11.414 -9.263 1.00 0.00 C ATOM 520 C GLN A 371 0.615 12.165 -9.632 1.00 0.00 C ATOM 521 O GLN A 371 0.661 13.079 -10.460 1.00 0.00 O ATOM 522 CB GLN A 371 2.161 10.237 -10.220 1.00 0.00 C ATOM 523 CG GLN A 371 3.587 9.674 -10.083 1.00 0.00 C ATOM 524 CD GLN A 371 4.044 8.972 -11.363 1.00 0.00 C ATOM 525 OE1 GLN A 371 4.684 9.556 -12.228 1.00 0.00 O ATOM 526 NE2 GLN A 371 3.743 7.705 -11.548 1.00 0.00 N ATOM 0 H GLN A 371 1.919 9.966 -7.739 1.00 0.00 H new ATOM 0 HA GLN A 371 2.728 12.121 -9.378 1.00 0.00 H new ATOM 0 HB2 GLN A 371 1.439 9.446 -10.020 1.00 0.00 H new ATOM 0 HB3 GLN A 371 1.998 10.564 -11.247 1.00 0.00 H new ATOM 0 HG2 GLN A 371 4.277 10.484 -9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 371 3.622 8.972 -9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 371 3.211 7.199 -10.840 1.00 0.00 H new ATOM 0 HE22 GLN A 371 4.042 7.229 -12.399 1.00 0.00 H new ATOM 535 N ALA A 372 -0.524 11.833 -9.011 1.00 0.00 N ATOM 536 CA ALA A 372 -1.793 12.535 -9.246 1.00 0.00 C ATOM 537 C ALA A 372 -1.786 13.964 -8.660 1.00 0.00 C ATOM 538 O ALA A 372 -2.267 14.901 -9.302 1.00 0.00 O ATOM 539 CB ALA A 372 -2.950 11.711 -8.667 1.00 0.00 C ATOM 0 H ALA A 372 -0.592 11.073 -8.334 1.00 0.00 H new ATOM 0 HA ALA A 372 -1.927 12.640 -10.323 1.00 0.00 H new ATOM 0 HB1 ALA A 372 -3.891 12.232 -8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 372 -2.980 10.735 -9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 372 -2.802 11.579 -7.595 1.00 0.00 H new ATOM 652 N LEU A 381 5.278 8.663 6.153 1.00 0.00 N ATOM 653 CA LEU A 381 5.460 7.345 6.785 1.00 0.00 C ATOM 654 C LEU A 381 6.901 6.836 6.509 1.00 0.00 C ATOM 655 O LEU A 381 7.225 6.600 5.343 1.00 0.00 O ATOM 656 CB LEU A 381 4.348 6.420 6.236 1.00 0.00 C ATOM 657 CG LEU A 381 4.399 4.937 6.657 1.00 0.00 C ATOM 658 CD1 LEU A 381 4.283 4.756 8.172 1.00 0.00 C ATOM 659 CD2 LEU A 381 3.241 4.159 6.020 1.00 0.00 C ATOM 0 HA LEU A 381 5.363 7.380 7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 381 3.385 6.827 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 381 4.378 6.464 5.147 1.00 0.00 H new ATOM 0 HG LEU A 381 5.365 4.561 6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 381 4.324 3.694 8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 381 5.106 5.274 8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 381 3.336 5.171 8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 381 3.292 3.114 6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 381 2.293 4.587 6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 381 3.314 4.222 4.934 1.00 0.00 H new ATOM 671 N PRO A 382 7.793 6.687 7.515 1.00 0.00 N ATOM 672 CA PRO A 382 9.203 6.318 7.307 1.00 0.00 C ATOM 673 C PRO A 382 9.479 5.116 6.388 1.00 0.00 C ATOM 674 O PRO A 382 10.384 5.170 5.554 1.00 0.00 O ATOM 675 CB PRO A 382 9.777 6.087 8.709 1.00 0.00 C ATOM 676 CG PRO A 382 8.942 7.020 9.580 1.00 0.00 C ATOM 677 CD PRO A 382 7.561 6.947 8.932 1.00 0.00 C ATOM 0 HA PRO A 382 9.684 7.130 6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 382 9.676 5.047 9.020 1.00 0.00 H new ATOM 0 HB3 PRO A 382 10.838 6.333 8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 382 8.919 6.690 10.619 1.00 0.00 H new ATOM 0 HG3 PRO A 382 9.336 8.036 9.577 1.00 0.00 H new ATOM 0 HD2 PRO A 382 6.961 6.155 9.381 1.00 0.00 H new ATOM 0 HD3 PRO A 382 7.014 7.879 9.073 1.00 0.00 H new ATOM 685 N HIS A 383 8.712 4.030 6.531 1.00 0.00 N ATOM 686 CA HIS A 383 8.887 2.798 5.746 1.00 0.00 C ATOM 687 C HIS A 383 8.276 2.855 4.329 1.00 0.00 C ATOM 688 O HIS A 383 8.616 2.030 3.475 1.00 0.00 O ATOM 689 CB HIS A 383 8.298 1.623 6.544 1.00 0.00 C ATOM 690 CG HIS A 383 8.768 1.550 7.978 1.00 0.00 C ATOM 691 ND1 HIS A 383 10.071 1.428 8.410 1.00 0.00 N ATOM 692 CD2 HIS A 383 7.980 1.620 9.096 1.00 0.00 C ATOM 693 CE1 HIS A 383 10.070 1.428 9.753 1.00 0.00 C ATOM 694 NE2 HIS A 383 8.814 1.543 10.221 1.00 0.00 N ATOM 0 H HIS A 383 7.944 3.979 7.201 1.00 0.00 H new ATOM 0 HA HIS A 383 9.957 2.667 5.585 1.00 0.00 H new ATOM 0 HB2 HIS A 383 7.211 1.700 6.533 1.00 0.00 H new ATOM 0 HB3 HIS A 383 8.556 0.691 6.041 1.00 0.00 H new ATOM 0 HD2 HIS A 383 6.904 1.717 9.109 1.00 0.00 H new ATOM 0 HE1 HIS A 383 10.953 1.347 10.370 1.00 0.00 H new ATOM 0 HE2 HIS A 383 8.526 1.569 11.199 1.00 0.00 H new ATOM 702 N CYS A 384 7.389 3.823 4.058 1.00 0.00 N ATOM 703 CA CYS A 384 6.703 3.996 2.778 1.00 0.00 C ATOM 704 C CYS A 384 7.679 4.153 1.603 1.00 0.00 C ATOM 705 O CYS A 384 7.561 3.439 0.606 1.00 0.00 O ATOM 706 CB CYS A 384 5.759 5.194 2.922 1.00 0.00 C ATOM 707 SG CYS A 384 4.791 5.488 1.423 1.00 0.00 S ATOM 0 H CYS A 384 7.124 4.527 4.747 1.00 0.00 H new ATOM 0 HA CYS A 384 6.131 3.099 2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 384 5.084 5.023 3.760 1.00 0.00 H new ATOM 0 HB3 CYS A 384 6.340 6.086 3.157 1.00 0.00 H new ATOM 0 HG CYS A 384 3.660 4.852 1.505 1.00 0.00 H new ATOM 712 N ARG A 385 8.677 5.042 1.718 1.00 0.00 N ATOM 713 CA ARG A 385 9.679 5.269 0.657 1.00 0.00 C ATOM 714 C ARG A 385 10.502 4.020 0.327 1.00 0.00 C ATOM 715 O ARG A 385 10.782 3.749 -0.841 1.00 0.00 O ATOM 716 CB ARG A 385 10.566 6.480 1.011 1.00 0.00 C ATOM 717 CG ARG A 385 10.852 7.327 -0.238 1.00 0.00 C ATOM 718 CD ARG A 385 9.613 8.136 -0.662 1.00 0.00 C ATOM 719 NE ARG A 385 9.694 8.543 -2.077 1.00 0.00 N ATOM 720 CZ ARG A 385 8.697 9.035 -2.786 1.00 0.00 C ATOM 721 NH1 ARG A 385 7.571 9.378 -2.237 1.00 0.00 N ATOM 722 NH2 ARG A 385 8.790 9.174 -4.074 1.00 0.00 N ATOM 0 H ARG A 385 8.815 5.624 2.545 1.00 0.00 H new ATOM 0 HA ARG A 385 9.136 5.499 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 385 10.071 7.091 1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 385 11.504 6.135 1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 385 11.681 8.006 -0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 385 11.163 6.678 -1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 385 8.715 7.538 -0.505 1.00 0.00 H new ATOM 0 HD3 ARG A 385 9.521 9.021 -0.032 1.00 0.00 H new ATOM 0 HE ARG A 385 10.594 8.435 -2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 385 7.440 9.270 -1.231 1.00 0.00 H new ATOM 0 HH12 ARG A 385 6.818 9.756 -2.812 1.00 0.00 H new ATOM 0 HH21 ARG A 385 9.646 8.900 -4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 385 8.007 9.557 -4.604 1.00 0.00 H new ATOM 736 N THR A 386 10.822 3.220 1.341 1.00 0.00 N ATOM 737 CA THR A 386 11.527 1.939 1.203 1.00 0.00 C ATOM 738 C THR A 386 10.647 0.959 0.435 1.00 0.00 C ATOM 739 O THR A 386 11.088 0.398 -0.566 1.00 0.00 O ATOM 740 CB THR A 386 11.897 1.353 2.578 1.00 0.00 C ATOM 741 OG1 THR A 386 12.586 2.317 3.351 1.00 0.00 O ATOM 742 CG2 THR A 386 12.790 0.116 2.476 1.00 0.00 C ATOM 0 H THR A 386 10.594 3.447 2.309 1.00 0.00 H new ATOM 0 HA THR A 386 12.453 2.110 0.655 1.00 0.00 H new ATOM 0 HB THR A 386 10.955 1.066 3.046 1.00 0.00 H new ATOM 0 HG1 THR A 386 12.815 1.934 4.224 1.00 0.00 H new ATOM 0 HG21 THR A 386 13.017 -0.252 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 386 12.273 -0.661 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 386 13.717 0.378 1.966 1.00 0.00 H new ATOM 750 N MET A 387 9.384 0.784 0.835 1.00 0.00 N ATOM 751 CA MET A 387 8.470 -0.110 0.119 1.00 0.00 C ATOM 752 C MET A 387 8.117 0.394 -1.288 1.00 0.00 C ATOM 753 O MET A 387 7.991 -0.425 -2.192 1.00 0.00 O ATOM 754 CB MET A 387 7.233 -0.423 0.966 1.00 0.00 C ATOM 755 CG MET A 387 7.390 -1.816 1.595 1.00 0.00 C ATOM 756 SD MET A 387 8.848 -2.046 2.662 1.00 0.00 S ATOM 757 CE MET A 387 9.478 -3.611 1.994 1.00 0.00 C ATOM 0 H MET A 387 8.973 1.247 1.646 1.00 0.00 H new ATOM 0 HA MET A 387 9.000 -1.049 -0.042 1.00 0.00 H new ATOM 0 HB2 MET A 387 7.111 0.329 1.745 1.00 0.00 H new ATOM 0 HB3 MET A 387 6.336 -0.389 0.348 1.00 0.00 H new ATOM 0 HG2 MET A 387 6.497 -2.032 2.181 1.00 0.00 H new ATOM 0 HG3 MET A 387 7.430 -2.553 0.793 1.00 0.00 H new ATOM 0 HE1 MET A 387 10.424 -3.857 2.475 1.00 0.00 H new ATOM 0 HE2 MET A 387 8.756 -4.405 2.185 1.00 0.00 H new ATOM 0 HE3 MET A 387 9.632 -3.512 0.920 1.00 0.00 H new ATOM 767 N LYS A 388 8.036 1.709 -1.530 1.00 0.00 N ATOM 768 CA LYS A 388 7.879 2.293 -2.878 1.00 0.00 C ATOM 769 C LYS A 388 9.086 1.930 -3.750 1.00 0.00 C ATOM 770 O LYS A 388 8.905 1.537 -4.904 1.00 0.00 O ATOM 771 CB LYS A 388 7.751 3.822 -2.767 1.00 0.00 C ATOM 772 CG LYS A 388 6.347 4.344 -2.407 1.00 0.00 C ATOM 773 CD LYS A 388 6.485 5.785 -1.889 1.00 0.00 C ATOM 774 CE LYS A 388 5.165 6.530 -1.646 1.00 0.00 C ATOM 775 NZ LYS A 388 4.568 7.077 -2.888 1.00 0.00 N ATOM 0 H LYS A 388 8.078 2.409 -0.790 1.00 0.00 H new ATOM 0 HA LYS A 388 6.978 1.891 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 388 8.455 4.175 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 388 8.052 4.265 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.696 4.315 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.889 3.710 -1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 388 7.047 5.765 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.077 6.355 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.453 5.851 -1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.339 7.345 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 3.680 7.568 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.232 7.747 -3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 4.373 6.300 -3.551 1.00 0.00 H new ATOM 789 N ASN A 389 10.305 1.993 -3.197 1.00 0.00 N ATOM 790 CA ASN A 389 11.521 1.597 -3.923 1.00 0.00 C ATOM 791 C ASN A 389 11.496 0.089 -4.254 1.00 0.00 C ATOM 792 O ASN A 389 11.792 -0.319 -5.375 1.00 0.00 O ATOM 793 CB ASN A 389 12.755 1.992 -3.089 1.00 0.00 C ATOM 794 CG ASN A 389 14.063 1.691 -3.803 1.00 0.00 C ATOM 795 OD1 ASN A 389 14.270 2.048 -4.955 1.00 0.00 O ATOM 796 ND2 ASN A 389 14.991 1.027 -3.150 1.00 0.00 N ATOM 0 H ASN A 389 10.476 2.316 -2.245 1.00 0.00 H new ATOM 0 HA ASN A 389 11.570 2.121 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 389 12.708 3.056 -2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 389 12.733 1.459 -2.139 1.00 0.00 H new ATOM 0 HD21 ASN A 389 15.879 0.812 -3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 389 14.823 0.727 -2.190 1.00 0.00 H new ATOM 803 N VAL A 390 11.078 -0.736 -3.288 1.00 0.00 N ATOM 804 CA VAL A 390 10.907 -2.194 -3.424 1.00 0.00 C ATOM 805 C VAL A 390 9.823 -2.533 -4.451 1.00 0.00 C ATOM 806 O VAL A 390 9.984 -3.485 -5.205 1.00 0.00 O ATOM 807 CB VAL A 390 10.566 -2.792 -2.051 1.00 0.00 C ATOM 808 CG1 VAL A 390 10.125 -4.261 -2.091 1.00 0.00 C ATOM 809 CG2 VAL A 390 11.768 -2.693 -1.102 1.00 0.00 C ATOM 0 H VAL A 390 10.840 -0.399 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 390 11.840 -2.627 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 390 9.722 -2.200 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 390 9.904 -4.602 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 390 9.232 -4.356 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.925 -4.870 -2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 390 11.505 -3.122 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 390 12.611 -3.240 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 390 12.043 -1.646 -0.971 1.00 0.00 H new ATOM 819 N LEU A 391 8.736 -1.759 -4.530 1.00 0.00 N ATOM 820 CA LEU A 391 7.666 -1.957 -5.516 1.00 0.00 C ATOM 821 C LEU A 391 8.193 -1.654 -6.934 1.00 0.00 C ATOM 822 O LEU A 391 8.065 -2.475 -7.848 1.00 0.00 O ATOM 823 CB LEU A 391 6.443 -1.099 -5.129 1.00 0.00 C ATOM 824 CG LEU A 391 5.092 -1.602 -5.676 1.00 0.00 C ATOM 825 CD1 LEU A 391 3.982 -0.688 -5.166 1.00 0.00 C ATOM 826 CD2 LEU A 391 4.992 -1.635 -7.201 1.00 0.00 C ATOM 0 H LEU A 391 8.571 -0.969 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 391 7.340 -2.997 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 391 6.382 -1.051 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.605 -0.082 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 391 4.997 -2.630 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 391 3.021 -1.035 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.968 -0.706 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 391 4.163 0.330 -5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 391 4.008 -2.002 -7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 391 5.137 -0.630 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 391 5.760 -2.297 -7.602 1.00 0.00 H new ATOM 838 N ASN A 392 8.867 -0.509 -7.105 1.00 0.00 N ATOM 839 CA ASN A 392 9.513 -0.141 -8.371 1.00 0.00 C ATOM 840 C ASN A 392 10.504 -1.242 -8.809 1.00 0.00 C ATOM 841 O ASN A 392 10.546 -1.651 -9.975 1.00 0.00 O ATOM 842 CB ASN A 392 10.186 1.231 -8.204 1.00 0.00 C ATOM 843 CG ASN A 392 10.793 1.717 -9.509 1.00 0.00 C ATOM 844 OD1 ASN A 392 11.978 1.563 -9.768 1.00 0.00 O ATOM 845 ND2 ASN A 392 10.001 2.309 -10.376 1.00 0.00 N ATOM 0 H ASN A 392 8.980 0.188 -6.369 1.00 0.00 H new ATOM 0 HA ASN A 392 8.773 -0.059 -9.167 1.00 0.00 H new ATOM 0 HB2 ASN A 392 9.453 1.956 -7.850 1.00 0.00 H new ATOM 0 HB3 ASN A 392 10.963 1.166 -7.442 1.00 0.00 H new ATOM 0 HD21 ASN A 392 10.375 2.640 -11.265 1.00 0.00 H new ATOM 0 HD22 ASN A 392 9.013 2.437 -10.159 1.00 0.00 H new ATOM 852 N HIS A 393 11.237 -1.798 -7.839 1.00 0.00 N ATOM 853 CA HIS A 393 12.112 -2.929 -8.086 1.00 0.00 C ATOM 854 C HIS A 393 11.295 -4.154 -8.483 1.00 0.00 C ATOM 855 O HIS A 393 11.620 -4.741 -9.500 1.00 0.00 O ATOM 856 CB HIS A 393 12.995 -3.222 -6.876 1.00 0.00 C ATOM 857 CG HIS A 393 13.888 -4.422 -7.094 1.00 0.00 C ATOM 858 ND1 HIS A 393 13.501 -5.730 -6.983 1.00 0.00 N flip ATOM 859 CD2 HIS A 393 15.184 -4.427 -7.563 1.00 0.00 C flip ATOM 860 CE1 HIS A 393 14.560 -6.544 -7.403 1.00 0.00 C flip ATOM 861 NE2 HIS A 393 15.560 -5.708 -7.734 1.00 0.00 N flip ATOM 0 H HIS A 393 11.235 -1.474 -6.872 1.00 0.00 H new ATOM 0 HA HIS A 393 12.773 -2.674 -8.915 1.00 0.00 H new ATOM 0 HB2 HIS A 393 13.610 -2.349 -6.658 1.00 0.00 H new ATOM 0 HB3 HIS A 393 12.366 -3.394 -6.003 1.00 0.00 H new ATOM 0 HD2 HIS A 393 15.791 -3.556 -7.759 1.00 0.00 H new ATOM 0 HE1 HIS A 393 14.571 -7.623 -7.451 1.00 0.00 H new ATOM 0 HE2 HIS A 393 16.477 -6.004 -8.069 1.00 0.00 H new ATOM 869 N MET A 394 10.236 -4.541 -7.758 1.00 0.00 N ATOM 870 CA MET A 394 9.431 -5.725 -8.106 1.00 0.00 C ATOM 871 C MET A 394 8.859 -5.670 -9.527 1.00 0.00 C ATOM 872 O MET A 394 8.690 -6.723 -10.144 1.00 0.00 O ATOM 873 CB MET A 394 8.339 -6.063 -7.068 1.00 0.00 C ATOM 874 CG MET A 394 6.955 -5.406 -7.256 1.00 0.00 C ATOM 875 SD MET A 394 5.523 -6.388 -6.719 1.00 0.00 S ATOM 876 CE MET A 394 5.969 -6.711 -4.999 1.00 0.00 C ATOM 0 H MET A 394 9.914 -4.050 -6.923 1.00 0.00 H new ATOM 0 HA MET A 394 10.142 -6.551 -8.081 1.00 0.00 H new ATOM 0 HB2 MET A 394 8.201 -7.144 -7.064 1.00 0.00 H new ATOM 0 HB3 MET A 394 8.713 -5.785 -6.083 1.00 0.00 H new ATOM 0 HG2 MET A 394 6.947 -4.462 -6.712 1.00 0.00 H new ATOM 0 HG3 MET A 394 6.830 -5.166 -8.312 1.00 0.00 H new ATOM 0 HE1 MET A 394 5.164 -7.261 -4.511 1.00 0.00 H new ATOM 0 HE2 MET A 394 6.884 -7.302 -4.965 1.00 0.00 H new ATOM 0 HE3 MET A 394 6.128 -5.765 -4.481 1.00 0.00 H new ATOM 886 N THR A 395 8.581 -4.464 -10.052 1.00 0.00 N ATOM 887 CA THR A 395 8.107 -4.327 -11.448 1.00 0.00 C ATOM 888 C THR A 395 9.280 -4.406 -12.442 1.00 0.00 C ATOM 889 O THR A 395 9.146 -5.012 -13.508 1.00 0.00 O ATOM 890 CB THR A 395 7.170 -3.123 -11.669 1.00 0.00 C ATOM 891 OG1 THR A 395 6.653 -3.121 -12.985 1.00 0.00 O ATOM 892 CG2 THR A 395 7.791 -1.750 -11.443 1.00 0.00 C ATOM 0 H THR A 395 8.673 -3.583 -9.546 1.00 0.00 H new ATOM 0 HA THR A 395 7.468 -5.185 -11.655 1.00 0.00 H new ATOM 0 HB THR A 395 6.400 -3.267 -10.911 1.00 0.00 H new ATOM 0 HG1 THR A 395 6.060 -2.350 -13.102 1.00 0.00 H new ATOM 0 HG21 THR A 395 7.044 -0.978 -11.626 1.00 0.00 H new ATOM 0 HG22 THR A 395 8.145 -1.676 -10.415 1.00 0.00 H new ATOM 0 HG23 THR A 395 8.629 -1.613 -12.126 1.00 0.00 H new ATOM 900 N HIS A 396 10.459 -3.876 -12.082 1.00 0.00 N ATOM 901 CA HIS A 396 11.685 -3.998 -12.892 1.00 0.00 C ATOM 902 C HIS A 396 12.327 -5.415 -12.843 1.00 0.00 C ATOM 903 O HIS A 396 13.023 -5.821 -13.778 1.00 0.00 O ATOM 904 CB HIS A 396 12.676 -2.930 -12.399 1.00 0.00 C ATOM 905 CG HIS A 396 13.915 -2.803 -13.250 1.00 0.00 C ATOM 906 ND1 HIS A 396 15.163 -3.311 -12.962 1.00 0.00 N ATOM 907 CD2 HIS A 396 14.013 -2.153 -14.452 1.00 0.00 C ATOM 908 CE1 HIS A 396 15.993 -2.982 -13.967 1.00 0.00 C ATOM 909 NE2 HIS A 396 15.336 -2.270 -14.903 1.00 0.00 N ATOM 0 H HIS A 396 10.591 -3.349 -11.219 1.00 0.00 H new ATOM 0 HA HIS A 396 11.423 -3.843 -13.939 1.00 0.00 H new ATOM 0 HB2 HIS A 396 12.169 -1.966 -12.367 1.00 0.00 H new ATOM 0 HB3 HIS A 396 12.972 -3.168 -11.377 1.00 0.00 H new ATOM 0 HD2 HIS A 396 13.212 -1.640 -14.963 1.00 0.00 H new ATOM 0 HE1 HIS A 396 17.038 -3.250 -14.017 1.00 0.00 H new ATOM 0 HE2 HIS A 396 15.723 -1.891 -15.767 1.00 0.00 H new ATOM 917 N CYS A 397 12.109 -6.156 -11.750 1.00 0.00 N ATOM 918 CA CYS A 397 12.629 -7.487 -11.422 1.00 0.00 C ATOM 919 C CYS A 397 12.256 -8.562 -12.460 1.00 0.00 C ATOM 920 O CYS A 397 11.202 -8.500 -13.101 1.00 0.00 O ATOM 921 CB CYS A 397 12.099 -7.838 -10.016 1.00 0.00 C ATOM 922 SG CYS A 397 12.960 -9.228 -9.232 1.00 0.00 S ATOM 0 H CYS A 397 11.508 -5.805 -11.004 1.00 0.00 H new ATOM 0 HA CYS A 397 13.719 -7.467 -11.438 1.00 0.00 H new ATOM 0 HB2 CYS A 397 12.188 -6.961 -9.375 1.00 0.00 H new ATOM 0 HB3 CYS A 397 11.037 -8.075 -10.087 1.00 0.00 H new ATOM 0 HG CYS A 397 12.825 -9.150 -7.941 1.00 0.00 H new ATOM 927 N GLN A 398 13.125 -9.569 -12.590 1.00 0.00 N ATOM 928 CA GLN A 398 12.955 -10.699 -13.517 1.00 0.00 C ATOM 929 C GLN A 398 13.026 -12.076 -12.835 1.00 0.00 C ATOM 930 O GLN A 398 12.611 -13.072 -13.434 1.00 0.00 O ATOM 931 CB GLN A 398 13.963 -10.588 -14.677 1.00 0.00 C ATOM 932 CG GLN A 398 13.803 -9.289 -15.491 1.00 0.00 C ATOM 933 CD GLN A 398 14.752 -9.185 -16.688 1.00 0.00 C ATOM 934 OE1 GLN A 398 15.623 -10.012 -16.932 1.00 0.00 O ATOM 935 NE2 GLN A 398 14.625 -8.147 -17.490 1.00 0.00 N ATOM 0 H GLN A 398 13.985 -9.625 -12.044 1.00 0.00 H new ATOM 0 HA GLN A 398 11.942 -10.631 -13.915 1.00 0.00 H new ATOM 0 HB2 GLN A 398 14.976 -10.637 -14.277 1.00 0.00 H new ATOM 0 HB3 GLN A 398 13.840 -11.444 -15.341 1.00 0.00 H new ATOM 0 HG2 GLN A 398 12.775 -9.220 -15.848 1.00 0.00 H new ATOM 0 HG3 GLN A 398 13.970 -8.437 -14.833 1.00 0.00 H new ATOM 0 HE21 GLN A 398 13.907 -7.446 -17.307 1.00 0.00 H new ATOM 0 HE22 GLN A 398 15.244 -8.045 -18.294 1.00 0.00 H new ATOM 944 N ALA A 399 13.485 -12.148 -11.580 1.00 0.00 N ATOM 945 CA ALA A 399 13.495 -13.388 -10.804 1.00 0.00 C ATOM 946 C ALA A 399 12.214 -13.560 -9.979 1.00 0.00 C ATOM 947 O ALA A 399 11.661 -14.658 -9.934 1.00 0.00 O ATOM 948 CB ALA A 399 14.686 -13.399 -9.838 1.00 0.00 C ATOM 0 H ALA A 399 13.860 -11.345 -11.075 1.00 0.00 H new ATOM 0 HA ALA A 399 13.569 -14.206 -11.520 1.00 0.00 H new ATOM 0 HB1 ALA A 399 14.682 -14.327 -9.266 1.00 0.00 H new ATOM 0 HB2 ALA A 399 15.614 -13.325 -10.404 1.00 0.00 H new ATOM 0 HB3 ALA A 399 14.609 -12.552 -9.156 1.00 0.00 H new ATOM 954 N PRO A 400 11.778 -12.487 -9.312 1.00 0.00 N ATOM 955 CA PRO A 400 10.637 -12.423 -8.386 1.00 0.00 C ATOM 956 C PRO A 400 10.739 -13.358 -7.164 1.00 0.00 C ATOM 957 O PRO A 400 10.908 -12.901 -6.034 1.00 0.00 O ATOM 961 N LYS A 401 10.669 -14.674 -7.399 1.00 0.00 N ATOM 962 CA LYS A 401 10.792 -15.757 -6.398 1.00 0.00 C ATOM 963 C LYS A 401 12.246 -16.065 -6.029 1.00 0.00 C ATOM 964 O LYS A 401 12.582 -16.243 -4.860 1.00 0.00 O ATOM 965 CB LYS A 401 9.995 -17.003 -6.842 1.00 0.00 C ATOM 966 CG LYS A 401 10.487 -17.686 -8.133 1.00 0.00 C ATOM 967 CD LYS A 401 9.623 -18.889 -8.543 1.00 0.00 C ATOM 968 CE LYS A 401 8.211 -18.472 -8.981 1.00 0.00 C ATOM 969 NZ LYS A 401 7.418 -19.637 -9.453 1.00 0.00 N ATOM 0 H LYS A 401 10.517 -15.038 -8.340 1.00 0.00 H new ATOM 0 HA LYS A 401 10.343 -15.403 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 401 10.019 -17.734 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 401 8.953 -16.715 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 401 10.493 -16.957 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 401 11.516 -18.016 -7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 401 10.111 -19.422 -9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 401 9.551 -19.583 -7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 401 7.697 -17.995 -8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 401 8.280 -17.732 -9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 6.471 -19.319 -9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 7.897 -20.077 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 7.331 -20.332 -8.684 1.00 0.00 H new ATOM 983 N ALA A 402 13.107 -16.086 -7.047 1.00 0.00 N ATOM 984 CA ALA A 402 14.553 -16.305 -6.961 1.00 0.00 C ATOM 985 C ALA A 402 15.318 -15.040 -6.510 1.00 0.00 C ATOM 986 O ALA A 402 16.514 -15.113 -6.220 1.00 0.00 O ATOM 987 CB ALA A 402 15.056 -16.892 -8.289 1.00 0.00 C ATOM 0 H ALA A 402 12.797 -15.943 -8.008 1.00 0.00 H new ATOM 0 HA ALA A 402 14.758 -17.033 -6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 402 16.132 -17.057 -8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 402 14.554 -17.840 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 402 14.840 -16.196 -9.100 1.00 0.00 H new ATOM 993 N CYS A 403 14.642 -13.881 -6.449 1.00 0.00 N ATOM 994 CA CYS A 403 15.147 -12.573 -6.038 1.00 0.00 C ATOM 995 C CYS A 403 15.196 -12.481 -4.513 1.00 0.00 C ATOM 996 O CYS A 403 14.619 -11.599 -3.882 1.00 0.00 O ATOM 997 CB CYS A 403 14.351 -11.410 -6.613 1.00 0.00 C ATOM 998 SG CYS A 403 15.379 -9.907 -6.555 1.00 0.00 S ATOM 0 H CYS A 403 13.656 -13.837 -6.706 1.00 0.00 H new ATOM 0 HA CYS A 403 16.154 -12.488 -6.446 1.00 0.00 H new ATOM 0 HB2 CYS A 403 14.056 -11.626 -7.640 1.00 0.00 H new ATOM 0 HB3 CYS A 403 13.434 -11.262 -6.043 1.00 0.00 H new ATOM 0 HG CYS A 403 15.545 -9.448 -7.760 1.00 0.00 H new ATOM 1003 N GLN A 404 15.872 -13.476 -3.960 1.00 0.00 N ATOM 1004 CA GLN A 404 16.227 -13.756 -2.564 1.00 0.00 C ATOM 1005 C GLN A 404 16.592 -12.510 -1.718 1.00 0.00 C ATOM 1006 O GLN A 404 16.669 -12.623 -0.493 1.00 0.00 O ATOM 1007 CB GLN A 404 17.340 -14.826 -2.572 1.00 0.00 C ATOM 1008 CG GLN A 404 17.602 -15.498 -1.210 1.00 0.00 C ATOM 1009 CD GLN A 404 18.668 -16.594 -1.281 1.00 0.00 C ATOM 1010 OE1 GLN A 404 18.677 -17.453 -2.156 1.00 0.00 O ATOM 1011 NE2 GLN A 404 19.613 -16.617 -0.362 1.00 0.00 N ATOM 0 H GLN A 404 16.239 -14.214 -4.561 1.00 0.00 H new ATOM 0 HA GLN A 404 15.340 -14.131 -2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 404 17.078 -15.597 -3.297 1.00 0.00 H new ATOM 0 HB3 GLN A 404 18.265 -14.365 -2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 404 17.914 -14.741 -0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 404 16.672 -15.927 -0.837 1.00 0.00 H new ATOM 0 HE21 GLN A 404 19.625 -15.912 0.375 1.00 0.00 H new ATOM 0 HE22 GLN A 404 20.332 -17.340 -0.388 1.00 0.00 H new ATOM 1020 N VAL A 405 16.759 -11.320 -2.325 1.00 0.00 N ATOM 1021 CA VAL A 405 16.922 -10.042 -1.599 1.00 0.00 C ATOM 1022 C VAL A 405 15.738 -9.924 -0.633 1.00 0.00 C ATOM 1023 O VAL A 405 14.594 -9.913 -1.082 1.00 0.00 O ATOM 1024 CB VAL A 405 16.921 -8.835 -2.559 1.00 0.00 C ATOM 1025 CG1 VAL A 405 17.094 -7.513 -1.797 1.00 0.00 C ATOM 1026 CG2 VAL A 405 18.045 -8.927 -3.591 1.00 0.00 C ATOM 0 H VAL A 405 16.785 -11.215 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 405 17.878 -10.037 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 405 15.955 -8.856 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 405 17.089 -6.683 -2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 405 16.275 -7.392 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 405 18.041 -7.525 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 405 18.008 -8.058 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 405 19.007 -8.955 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 405 17.922 -9.834 -4.183 1.00 0.00 H new ATOM 1036 N ALA A 406 16.001 -9.899 0.678 1.00 0.00 N ATOM 1037 CA ALA A 406 14.994 -9.949 1.745 1.00 0.00 C ATOM 1038 C ALA A 406 13.660 -9.248 1.437 1.00 0.00 C ATOM 1039 O ALA A 406 12.610 -9.899 1.370 1.00 0.00 O ATOM 1040 CB ALA A 406 15.636 -9.430 3.037 1.00 0.00 C ATOM 0 H ALA A 406 16.953 -9.841 1.038 1.00 0.00 H new ATOM 0 HA ALA A 406 14.695 -10.992 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 406 14.904 -9.459 3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 406 16.488 -10.058 3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 406 15.973 -8.404 2.889 1.00 0.00 H new ATOM 1046 N HIS A 407 13.703 -7.930 1.226 1.00 0.00 N ATOM 1047 CA HIS A 407 12.503 -7.145 0.944 1.00 0.00 C ATOM 1048 C HIS A 407 11.822 -7.527 -0.378 1.00 0.00 C ATOM 1049 O HIS A 407 10.599 -7.608 -0.375 1.00 0.00 O ATOM 1050 CB HIS A 407 12.781 -5.635 0.999 1.00 0.00 C ATOM 1051 CG HIS A 407 13.493 -5.174 2.247 1.00 0.00 C ATOM 1052 ND1 HIS A 407 14.756 -4.627 2.311 1.00 0.00 N ATOM 1053 CD2 HIS A 407 13.004 -5.206 3.525 1.00 0.00 C ATOM 1054 CE1 HIS A 407 15.025 -4.337 3.595 1.00 0.00 C ATOM 1055 NE2 HIS A 407 13.983 -4.676 4.378 1.00 0.00 N ATOM 0 H HIS A 407 14.564 -7.383 1.246 1.00 0.00 H new ATOM 0 HA HIS A 407 11.800 -7.393 1.740 1.00 0.00 H new ATOM 0 HB2 HIS A 407 13.379 -5.357 0.131 1.00 0.00 H new ATOM 0 HB3 HIS A 407 11.834 -5.101 0.918 1.00 0.00 H new ATOM 0 HD2 HIS A 407 12.034 -5.575 3.824 1.00 0.00 H new ATOM 0 HE1 HIS A 407 15.945 -3.895 3.949 1.00 0.00 H new ATOM 0 HE2 HIS A 407 13.919 -4.569 5.390 1.00 0.00 H new ATOM 1063 N CYS A 408 12.545 -7.800 -1.478 1.00 0.00 N ATOM 1064 CA CYS A 408 11.910 -8.164 -2.754 1.00 0.00 C ATOM 1065 C CYS A 408 11.302 -9.579 -2.722 1.00 0.00 C ATOM 1066 O CYS A 408 10.123 -9.732 -3.056 1.00 0.00 O ATOM 1067 CB CYS A 408 12.931 -8.025 -3.896 1.00 0.00 C ATOM 1068 SG CYS A 408 12.179 -8.418 -5.514 1.00 0.00 S ATOM 0 H CYS A 408 13.564 -7.775 -1.508 1.00 0.00 H new ATOM 0 HA CYS A 408 11.081 -7.477 -2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 408 13.324 -7.008 -3.913 1.00 0.00 H new ATOM 0 HB3 CYS A 408 13.775 -8.690 -3.714 1.00 0.00 H new ATOM 0 HG CYS A 408 12.351 -7.418 -6.327 1.00 0.00 H new ATOM 1073 N ALA A 409 12.054 -10.590 -2.266 1.00 0.00 N ATOM 1074 CA ALA A 409 11.553 -11.960 -2.120 1.00 0.00 C ATOM 1075 C ALA A 409 10.281 -11.959 -1.252 1.00 0.00 C ATOM 1076 O ALA A 409 9.248 -12.512 -1.652 1.00 0.00 O ATOM 1077 CB ALA A 409 12.645 -12.870 -1.535 1.00 0.00 C ATOM 0 H ALA A 409 13.029 -10.479 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 409 11.291 -12.358 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 409 12.258 -13.884 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 409 13.508 -12.877 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 409 12.945 -12.496 -0.556 1.00 0.00 H new ATOM 1083 N SER A 410 10.330 -11.263 -0.104 1.00 0.00 N ATOM 1084 CA SER A 410 9.152 -11.101 0.754 1.00 0.00 C ATOM 1085 C SER A 410 8.030 -10.406 -0.017 1.00 0.00 C ATOM 1086 O SER A 410 6.944 -10.968 -0.130 1.00 0.00 O ATOM 1087 CB SER A 410 9.472 -10.307 2.029 1.00 0.00 C ATOM 1088 OG SER A 410 10.442 -10.977 2.815 1.00 0.00 O ATOM 0 H SER A 410 11.171 -10.806 0.248 1.00 0.00 H new ATOM 0 HA SER A 410 8.830 -12.098 1.054 1.00 0.00 H new ATOM 0 HB2 SER A 410 9.837 -9.315 1.762 1.00 0.00 H new ATOM 0 HB3 SER A 410 8.562 -10.165 2.611 1.00 0.00 H new ATOM 0 HG SER A 410 11.339 -10.752 2.490 1.00 0.00 H new ATOM 1094 N SER A 411 8.287 -9.221 -0.590 1.00 0.00 N ATOM 1095 CA SER A 411 7.299 -8.432 -1.335 1.00 0.00 C ATOM 1096 C SER A 411 6.516 -9.251 -2.357 1.00 0.00 C ATOM 1097 O SER A 411 5.285 -9.237 -2.345 1.00 0.00 O ATOM 1098 CB SER A 411 7.936 -7.197 -2.012 1.00 0.00 C ATOM 1099 OG SER A 411 8.556 -7.463 -3.251 1.00 0.00 O ATOM 0 H SER A 411 9.204 -8.777 -0.547 1.00 0.00 H new ATOM 0 HA SER A 411 6.585 -8.088 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 411 7.164 -6.442 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 411 8.675 -6.768 -1.335 1.00 0.00 H new ATOM 0 HG SER A 411 9.085 -8.285 -3.182 1.00 0.00 H new ATOM 1105 N ARG A 412 7.208 -10.002 -3.217 1.00 0.00 N ATOM 1106 CA ARG A 412 6.573 -10.820 -4.247 1.00 0.00 C ATOM 1107 C ARG A 412 5.839 -12.010 -3.646 1.00 0.00 C ATOM 1108 O ARG A 412 4.764 -12.317 -4.147 1.00 0.00 O ATOM 1109 CB ARG A 412 7.597 -11.218 -5.321 1.00 0.00 C ATOM 1110 CG ARG A 412 7.847 -10.048 -6.295 1.00 0.00 C ATOM 1111 CD ARG A 412 6.772 -9.897 -7.385 1.00 0.00 C ATOM 1112 NE ARG A 412 6.841 -10.971 -8.396 1.00 0.00 N ATOM 1113 CZ ARG A 412 7.435 -10.931 -9.578 1.00 0.00 C ATOM 1114 NH1 ARG A 412 8.085 -9.888 -10.012 1.00 0.00 N ATOM 1115 NH2 ARG A 412 7.391 -11.970 -10.361 1.00 0.00 N ATOM 0 H ARG A 412 8.226 -10.058 -3.217 1.00 0.00 H new ATOM 0 HA ARG A 412 5.807 -10.225 -4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 412 8.534 -11.510 -4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 412 7.235 -12.086 -5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 412 7.904 -9.121 -5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 412 8.817 -10.188 -6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 412 5.785 -9.901 -6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 412 6.890 -8.931 -7.876 1.00 0.00 H new ATOM 0 HE ARG A 412 6.376 -11.846 -8.155 1.00 0.00 H new ATOM 0 HH11 ARG A 412 8.153 -9.052 -9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 412 8.526 -9.908 -10.932 1.00 0.00 H new ATOM 0 HH21 ARG A 412 6.899 -12.813 -10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 412 7.848 -11.941 -11.272 1.00 0.00 H new ATOM 1129 N GLN A 413 6.329 -12.631 -2.566 1.00 0.00 N ATOM 1130 CA GLN A 413 5.578 -13.703 -1.891 1.00 0.00 C ATOM 1131 C GLN A 413 4.238 -13.186 -1.316 1.00 0.00 C ATOM 1132 O GLN A 413 3.187 -13.776 -1.589 1.00 0.00 O ATOM 1133 CB GLN A 413 6.436 -14.364 -0.798 1.00 0.00 C ATOM 1134 CG GLN A 413 7.520 -15.300 -1.368 1.00 0.00 C ATOM 1135 CD GLN A 413 6.985 -16.589 -1.998 1.00 0.00 C ATOM 1136 OE1 GLN A 413 5.837 -16.986 -1.845 1.00 0.00 O ATOM 1137 NE2 GLN A 413 7.805 -17.302 -2.744 1.00 0.00 N ATOM 0 H GLN A 413 7.231 -12.415 -2.143 1.00 0.00 H new ATOM 0 HA GLN A 413 5.337 -14.460 -2.637 1.00 0.00 H new ATOM 0 HB2 GLN A 413 6.912 -13.588 -0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 413 5.789 -14.931 -0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 413 8.093 -14.755 -2.118 1.00 0.00 H new ATOM 0 HG3 GLN A 413 8.212 -15.563 -0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 413 8.766 -16.991 -2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 413 7.478 -18.165 -3.180 1.00 0.00 H new ATOM 1146 N ILE A 414 4.230 -12.054 -0.594 1.00 0.00 N ATOM 1147 CA ILE A 414 2.976 -11.452 -0.097 1.00 0.00 C ATOM 1148 C ILE A 414 2.018 -10.951 -1.170 1.00 0.00 C ATOM 1149 O ILE A 414 0.812 -11.187 -1.086 1.00 0.00 O ATOM 1150 CB ILE A 414 3.140 -10.418 1.040 1.00 0.00 C ATOM 1151 CG1 ILE A 414 4.412 -9.561 1.161 1.00 0.00 C ATOM 1152 CG2 ILE A 414 2.608 -11.008 2.350 1.00 0.00 C ATOM 1153 CD1 ILE A 414 5.411 -10.081 2.206 1.00 0.00 C ATOM 0 H ILE A 414 5.072 -11.537 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 414 2.496 -12.321 0.352 1.00 0.00 H new ATOM 0 HB ILE A 414 2.516 -9.588 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 414 4.905 -9.519 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 414 4.129 -8.541 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 414 2.724 -10.278 3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 414 1.553 -11.256 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 414 3.168 -11.910 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 414 6.282 -9.426 2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 414 4.936 -10.096 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.725 -11.090 1.939 1.00 0.00 H new ATOM 1165 N ILE A 415 2.530 -10.287 -2.196 1.00 0.00 N ATOM 1166 CA ILE A 415 1.687 -9.815 -3.299 1.00 0.00 C ATOM 1167 C ILE A 415 1.196 -10.989 -4.171 1.00 0.00 C ATOM 1168 O ILE A 415 0.091 -10.931 -4.707 1.00 0.00 O ATOM 1169 CB ILE A 415 2.396 -8.639 -3.993 1.00 0.00 C ATOM 1170 CG1 ILE A 415 1.945 -7.331 -3.290 1.00 0.00 C ATOM 1171 CG2 ILE A 415 2.213 -8.637 -5.511 1.00 0.00 C ATOM 1172 CD1 ILE A 415 2.378 -6.024 -3.964 1.00 0.00 C ATOM 0 H ILE A 415 3.520 -10.061 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 415 0.743 -9.396 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 415 3.476 -8.738 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.857 -7.337 -3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 415 2.332 -7.337 -2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 415 2.737 -7.783 -5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 415 2.620 -9.559 -5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 415 1.152 -8.568 -5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 415 2.008 -5.177 -3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 415 3.466 -5.982 -4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.969 -5.982 -4.973 1.00 0.00 H new ATOM 1184 N SER A 416 1.938 -12.098 -4.240 1.00 0.00 N ATOM 1185 CA SER A 416 1.503 -13.334 -4.906 1.00 0.00 C ATOM 1186 C SER A 416 0.356 -13.952 -4.096 1.00 0.00 C ATOM 1187 O SER A 416 -0.627 -14.390 -4.695 1.00 0.00 O ATOM 1188 CB SER A 416 2.640 -14.354 -5.001 1.00 0.00 C ATOM 1189 OG SER A 416 3.358 -14.164 -6.207 1.00 0.00 O ATOM 0 H SER A 416 2.870 -12.166 -3.830 1.00 0.00 H new ATOM 0 HA SER A 416 1.183 -13.083 -5.917 1.00 0.00 H new ATOM 0 HB2 SER A 416 3.310 -14.246 -4.148 1.00 0.00 H new ATOM 0 HB3 SER A 416 2.237 -15.366 -4.963 1.00 0.00 H new ATOM 0 HG SER A 416 4.080 -13.517 -6.060 1.00 0.00 H new ATOM 1195 N HIS A 417 0.424 -13.943 -2.752 1.00 0.00 N ATOM 1196 CA HIS A 417 -0.705 -14.374 -1.914 1.00 0.00 C ATOM 1197 C HIS A 417 -1.928 -13.500 -2.236 1.00 0.00 C ATOM 1198 O HIS A 417 -2.983 -14.026 -2.581 1.00 0.00 O ATOM 1199 CB HIS A 417 -0.372 -14.319 -0.406 1.00 0.00 C ATOM 1200 CG HIS A 417 -1.605 -14.495 0.457 1.00 0.00 C ATOM 1201 ND1 HIS A 417 -2.235 -15.690 0.733 1.00 0.00 N ATOM 1202 CD2 HIS A 417 -2.468 -13.495 0.838 1.00 0.00 C ATOM 1203 CE1 HIS A 417 -3.462 -15.418 1.212 1.00 0.00 C ATOM 1204 NE2 HIS A 417 -3.655 -14.091 1.280 1.00 0.00 N ATOM 0 H HIS A 417 1.246 -13.643 -2.227 1.00 0.00 H new ATOM 0 HA HIS A 417 -0.923 -15.417 -2.143 1.00 0.00 H new ATOM 0 HB2 HIS A 417 0.352 -15.098 -0.166 1.00 0.00 H new ATOM 0 HB3 HIS A 417 0.099 -13.364 -0.174 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -2.266 -12.435 0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -4.189 -16.162 1.501 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -4.500 -13.612 1.592 1.00 0.00 H new ATOM 1212 N TRP A 418 -1.776 -12.171 -2.183 1.00 0.00 N ATOM 1213 CA TRP A 418 -2.838 -11.205 -2.492 1.00 0.00 C ATOM 1214 C TRP A 418 -3.481 -11.436 -3.874 1.00 0.00 C ATOM 1215 O TRP A 418 -4.700 -11.311 -4.018 1.00 0.00 O ATOM 1216 CB TRP A 418 -2.262 -9.791 -2.360 1.00 0.00 C ATOM 1217 CG TRP A 418 -3.244 -8.670 -2.485 1.00 0.00 C ATOM 1218 CD1 TRP A 418 -4.200 -8.351 -1.584 1.00 0.00 C ATOM 1219 CD2 TRP A 418 -3.378 -7.701 -3.572 1.00 0.00 C ATOM 1220 NE1 TRP A 418 -4.921 -7.263 -2.037 1.00 0.00 N ATOM 1221 CE2 TRP A 418 -4.454 -6.817 -3.257 1.00 0.00 C ATOM 1222 CE3 TRP A 418 -2.698 -7.481 -4.792 1.00 0.00 C ATOM 1223 CZ2 TRP A 418 -4.837 -5.768 -4.106 1.00 0.00 C ATOM 1224 CZ3 TRP A 418 -3.074 -6.429 -5.651 1.00 0.00 C ATOM 1225 CH2 TRP A 418 -4.139 -5.575 -5.312 1.00 0.00 C ATOM 0 H TRP A 418 -0.896 -11.729 -1.919 1.00 0.00 H new ATOM 0 HA TRP A 418 -3.650 -11.342 -1.778 1.00 0.00 H new ATOM 0 HB2 TRP A 418 -1.769 -9.710 -1.391 1.00 0.00 H new ATOM 0 HB3 TRP A 418 -1.493 -9.661 -3.121 1.00 0.00 H new ATOM 0 HD1 TRP A 418 -4.374 -8.868 -0.652 1.00 0.00 H new ATOM 0 HE1 TRP A 418 -5.701 -6.842 -1.533 1.00 0.00 H new ATOM 0 HE3 TRP A 418 -1.879 -8.128 -5.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 418 -5.656 -5.118 -3.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 418 -2.540 -6.277 -6.577 1.00 0.00 H new ATOM 0 HH2 TRP A 418 -4.421 -4.772 -5.977 1.00 0.00 H new ATOM 1236 N LYS A 419 -2.680 -11.818 -4.882 1.00 0.00 N ATOM 1237 CA LYS A 419 -3.153 -12.149 -6.239 1.00 0.00 C ATOM 1238 C LYS A 419 -3.956 -13.460 -6.298 1.00 0.00 C ATOM 1239 O LYS A 419 -5.012 -13.506 -6.931 1.00 0.00 O ATOM 1240 CB LYS A 419 -1.940 -12.277 -7.178 1.00 0.00 C ATOM 1241 CG LYS A 419 -1.381 -10.934 -7.670 1.00 0.00 C ATOM 1242 CD LYS A 419 0.024 -11.158 -8.255 1.00 0.00 C ATOM 1243 CE LYS A 419 0.492 -10.064 -9.221 1.00 0.00 C ATOM 1244 NZ LYS A 419 0.507 -8.707 -8.615 1.00 0.00 N ATOM 0 H LYS A 419 -1.669 -11.907 -4.777 1.00 0.00 H new ATOM 0 HA LYS A 419 -3.819 -11.343 -6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -1.149 -12.819 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -2.225 -12.878 -8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -2.040 -10.507 -8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -1.336 -10.221 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 419 0.738 -11.230 -7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 419 0.039 -12.115 -8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 419 1.494 -10.307 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 419 -0.161 -10.057 -10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 -0.091 -8.069 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 0.141 -8.757 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 1.482 -8.345 -8.599 1.00 0.00 H new ATOM 1258 N ASN A 420 -3.437 -14.531 -5.692 1.00 0.00 N ATOM 1259 CA ASN A 420 -4.026 -15.879 -5.736 1.00 0.00 C ATOM 1260 C ASN A 420 -5.203 -16.135 -4.773 1.00 0.00 C ATOM 1261 O ASN A 420 -6.073 -16.953 -5.081 1.00 0.00 O ATOM 1262 CB ASN A 420 -2.909 -16.915 -5.497 1.00 0.00 C ATOM 1263 CG ASN A 420 -1.989 -17.072 -6.697 1.00 0.00 C ATOM 1264 OD1 ASN A 420 -2.229 -17.870 -7.593 1.00 0.00 O ATOM 1265 ND2 ASN A 420 -0.916 -16.320 -6.764 1.00 0.00 N ATOM 0 H ASN A 420 -2.577 -14.488 -5.145 1.00 0.00 H new ATOM 0 HA ASN A 420 -4.469 -15.975 -6.727 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.321 -16.615 -4.630 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.358 -17.879 -5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -0.285 -16.402 -7.561 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -0.713 -15.654 -6.019 1.00 0.00 H new ATOM 1272 N CYS A 421 -5.216 -15.492 -3.605 1.00 0.00 N ATOM 1273 CA CYS A 421 -6.201 -15.696 -2.548 1.00 0.00 C ATOM 1274 C CYS A 421 -7.653 -15.369 -2.955 1.00 0.00 C ATOM 1275 O CYS A 421 -7.949 -14.325 -3.547 1.00 0.00 O ATOM 1276 CB CYS A 421 -5.761 -14.885 -1.324 1.00 0.00 C ATOM 1277 SG CYS A 421 -6.712 -15.339 0.157 1.00 0.00 S ATOM 0 H CYS A 421 -4.516 -14.791 -3.363 1.00 0.00 H new ATOM 0 HA CYS A 421 -6.227 -16.761 -2.319 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -4.699 -15.050 -1.140 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -5.888 -13.822 -1.527 1.00 0.00 H new ATOM 0 HG CYS A 421 -7.791 -14.616 0.219 1.00 0.00 H new ATOM 1282 N THR A 422 -8.559 -16.273 -2.583 1.00 0.00 N ATOM 1283 CA THR A 422 -10.019 -16.193 -2.774 1.00 0.00 C ATOM 1284 C THR A 422 -10.773 -16.156 -1.436 1.00 0.00 C ATOM 1285 O THR A 422 -11.997 -15.991 -1.410 1.00 0.00 O ATOM 1286 CB THR A 422 -10.523 -17.392 -3.597 1.00 0.00 C ATOM 1287 OG1 THR A 422 -10.203 -18.602 -2.935 1.00 0.00 O ATOM 1288 CG2 THR A 422 -9.883 -17.441 -4.983 1.00 0.00 C ATOM 0 H THR A 422 -8.284 -17.135 -2.112 1.00 0.00 H new ATOM 0 HA THR A 422 -10.216 -15.264 -3.309 1.00 0.00 H new ATOM 0 HB THR A 422 -11.601 -17.273 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.528 -19.360 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.266 -18.302 -5.530 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.124 -16.528 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 422 -8.801 -17.528 -4.881 1.00 0.00 H new ATOM 1296 N ARG A 423 -10.055 -16.290 -0.310 1.00 0.00 N ATOM 1297 CA ARG A 423 -10.584 -16.289 1.060 1.00 0.00 C ATOM 1298 C ARG A 423 -11.128 -14.907 1.442 1.00 0.00 C ATOM 1299 O ARG A 423 -10.375 -13.980 1.740 1.00 0.00 O ATOM 1300 CB ARG A 423 -9.477 -16.780 2.014 1.00 0.00 C ATOM 1301 CG ARG A 423 -10.008 -17.121 3.413 1.00 0.00 C ATOM 1302 CD ARG A 423 -8.885 -17.548 4.368 1.00 0.00 C ATOM 1303 NE ARG A 423 -8.225 -18.799 3.940 1.00 0.00 N ATOM 1304 CZ ARG A 423 -6.979 -18.951 3.522 1.00 0.00 C ATOM 1305 NH1 ARG A 423 -6.142 -17.960 3.402 1.00 0.00 N ATOM 1306 NH2 ARG A 423 -6.538 -20.136 3.207 1.00 0.00 N ATOM 0 H ARG A 423 -9.042 -16.407 -0.333 1.00 0.00 H new ATOM 0 HA ARG A 423 -11.431 -16.971 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -8.999 -17.662 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -8.709 -16.011 2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -10.524 -16.254 3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -10.742 -17.923 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -8.143 -16.752 4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -9.295 -17.681 5.369 1.00 0.00 H new ATOM 0 HE ARG A 423 -8.796 -19.643 3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -6.437 -17.012 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -5.191 -18.132 3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -7.153 -20.946 3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -5.577 -20.254 2.885 1.00 0.00 H new ATOM 1320 N HIS A 424 -12.453 -14.770 1.439 1.00 0.00 N ATOM 1321 CA HIS A 424 -13.170 -13.540 1.785 1.00 0.00 C ATOM 1322 C HIS A 424 -13.000 -13.103 3.260 1.00 0.00 C ATOM 1323 O HIS A 424 -13.411 -12.002 3.623 1.00 0.00 O ATOM 1324 CB HIS A 424 -14.657 -13.703 1.421 1.00 0.00 C ATOM 1325 CG HIS A 424 -14.964 -13.650 -0.060 1.00 0.00 C ATOM 1326 ND1 HIS A 424 -14.294 -14.288 -1.086 1.00 0.00 N ATOM 1327 CD2 HIS A 424 -15.994 -12.956 -0.638 1.00 0.00 C ATOM 1328 CE1 HIS A 424 -14.902 -13.985 -2.244 1.00 0.00 C ATOM 1329 NE2 HIS A 424 -15.948 -13.169 -2.023 1.00 0.00 N ATOM 0 H HIS A 424 -13.079 -15.535 1.188 1.00 0.00 H new ATOM 0 HA HIS A 424 -12.725 -12.734 1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 424 -15.009 -14.656 1.816 1.00 0.00 H new ATOM 0 HB3 HIS A 424 -15.226 -12.920 1.923 1.00 0.00 H new ATOM 0 HD1 HIS A 424 -13.476 -14.888 -0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 424 -16.718 -12.348 -0.116 1.00 0.00 H new ATOM 0 HE1 HIS A 424 -14.595 -14.345 -3.215 1.00 0.00 H new ATOM 1337 N ASP A 425 -12.413 -13.956 4.108 1.00 0.00 N ATOM 1338 CA ASP A 425 -12.197 -13.789 5.550 1.00 0.00 C ATOM 1339 C ASP A 425 -10.760 -14.164 5.978 1.00 0.00 C ATOM 1340 O ASP A 425 -10.539 -14.853 6.976 1.00 0.00 O ATOM 1341 CB ASP A 425 -13.298 -14.528 6.338 1.00 0.00 C ATOM 1342 CG ASP A 425 -13.236 -16.070 6.263 1.00 0.00 C ATOM 1343 OD1 ASP A 425 -12.986 -16.635 5.171 1.00 0.00 O ATOM 1344 OD2 ASP A 425 -13.488 -16.730 7.301 1.00 0.00 O ATOM 0 H ASP A 425 -12.049 -14.850 3.778 1.00 0.00 H new ATOM 0 HA ASP A 425 -12.284 -12.731 5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 425 -13.238 -14.228 7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 425 -14.270 -14.201 5.968 1.00 0.00 H new ATOM 1349 N CYS A 426 -9.769 -13.713 5.198 1.00 0.00 N ATOM 1350 CA CYS A 426 -8.344 -13.985 5.426 1.00 0.00 C ATOM 1351 C CYS A 426 -7.766 -13.071 6.534 1.00 0.00 C ATOM 1352 O CYS A 426 -8.205 -11.923 6.648 1.00 0.00 O ATOM 1353 CB CYS A 426 -7.642 -13.781 4.080 1.00 0.00 C ATOM 1354 SG CYS A 426 -6.150 -14.799 3.872 1.00 0.00 S ATOM 0 H CYS A 426 -9.939 -13.137 4.374 1.00 0.00 H new ATOM 0 HA CYS A 426 -8.189 -15.003 5.783 1.00 0.00 H new ATOM 0 HB2 CYS A 426 -8.342 -14.010 3.277 1.00 0.00 H new ATOM 0 HB3 CYS A 426 -7.371 -12.730 3.977 1.00 0.00 H new ATOM 0 HG CYS A 426 -6.048 -15.170 2.630 1.00 0.00 H new ATOM 1359 N PRO A 427 -6.766 -13.513 7.326 1.00 0.00 N ATOM 1360 CA PRO A 427 -6.113 -12.718 8.378 1.00 0.00 C ATOM 1361 C PRO A 427 -5.494 -11.386 7.915 1.00 0.00 C ATOM 1362 O PRO A 427 -5.068 -10.588 8.751 1.00 0.00 O ATOM 1363 CB PRO A 427 -5.013 -13.615 8.962 1.00 0.00 C ATOM 1364 CG PRO A 427 -5.430 -15.029 8.578 1.00 0.00 C ATOM 1365 CD PRO A 427 -6.150 -14.823 7.250 1.00 0.00 C ATOM 0 HA PRO A 427 -6.877 -12.424 9.097 1.00 0.00 H new ATOM 0 HB2 PRO A 427 -4.036 -13.364 8.550 1.00 0.00 H new ATOM 0 HB3 PRO A 427 -4.942 -13.502 10.044 1.00 0.00 H new ATOM 0 HG2 PRO A 427 -4.569 -15.689 8.473 1.00 0.00 H new ATOM 0 HG3 PRO A 427 -6.084 -15.475 9.327 1.00 0.00 H new ATOM 0 HD2 PRO A 427 -5.451 -14.877 6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 427 -6.900 -15.598 7.089 1.00 0.00 H new ATOM 1373 N VAL A 428 -5.416 -11.154 6.599 1.00 0.00 N ATOM 1374 CA VAL A 428 -4.836 -9.959 5.968 1.00 0.00 C ATOM 1375 C VAL A 428 -5.793 -9.350 4.928 1.00 0.00 C ATOM 1376 O VAL A 428 -6.036 -8.135 4.957 1.00 0.00 O ATOM 1377 CB VAL A 428 -3.470 -10.302 5.353 1.00 0.00 C ATOM 1378 CG1 VAL A 428 -2.763 -8.989 4.994 1.00 0.00 C ATOM 1379 CG2 VAL A 428 -2.569 -11.109 6.298 1.00 0.00 C ATOM 0 H VAL A 428 -5.770 -11.822 5.914 1.00 0.00 H new ATOM 0 HA VAL A 428 -4.685 -9.200 6.735 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.649 -10.923 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -1.790 -9.208 4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -3.368 -8.434 4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -2.628 -8.390 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -1.620 -11.319 5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -2.387 -10.534 7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -3.060 -12.048 6.555 1.00 0.00 H new ATOM 1389 N CYS A 429 -6.408 -10.182 4.072 1.00 0.00 N ATOM 1390 CA CYS A 429 -7.451 -9.733 3.151 1.00 0.00 C ATOM 1391 C CYS A 429 -8.646 -9.087 3.858 1.00 0.00 C ATOM 1392 O CYS A 429 -8.981 -7.972 3.487 1.00 0.00 O ATOM 1393 CB CYS A 429 -7.869 -10.786 2.108 1.00 0.00 C ATOM 1394 SG CYS A 429 -6.517 -11.920 1.645 1.00 0.00 S ATOM 0 H CYS A 429 -6.194 -11.177 4.003 1.00 0.00 H new ATOM 0 HA CYS A 429 -6.979 -8.939 2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -8.702 -11.367 2.503 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -8.230 -10.278 1.214 1.00 0.00 H new ATOM 0 HG CYS A 429 -7.018 -13.017 1.161 1.00 0.00 H new ATOM 1399 N LEU A 430 -9.270 -9.705 4.872 1.00 0.00 N ATOM 1400 CA LEU A 430 -10.380 -9.091 5.607 1.00 0.00 C ATOM 1401 C LEU A 430 -10.036 -7.676 6.138 1.00 0.00 C ATOM 1402 O LEU A 430 -10.737 -6.726 5.773 1.00 0.00 O ATOM 1403 CB LEU A 430 -10.911 -10.059 6.666 1.00 0.00 C ATOM 1404 CG LEU A 430 -12.422 -10.267 6.613 1.00 0.00 C ATOM 1405 CD1 LEU A 430 -12.869 -11.107 7.814 1.00 0.00 C ATOM 1406 CD2 LEU A 430 -13.272 -9.009 6.586 1.00 0.00 C ATOM 0 H LEU A 430 -9.020 -10.637 5.202 1.00 0.00 H new ATOM 0 HA LEU A 430 -11.201 -8.911 4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -10.417 -11.023 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -10.640 -9.686 7.654 1.00 0.00 H new ATOM 0 HG LEU A 430 -12.587 -10.764 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -13.948 -11.254 7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -12.370 -12.075 7.787 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -12.608 -10.590 8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -14.326 -9.283 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -13.081 -8.422 7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -13.019 -8.418 5.706 1.00 0.00 H new ATOM 1418 N PRO A 431 -8.940 -7.487 6.910 1.00 0.00 N ATOM 1419 CA PRO A 431 -8.450 -6.158 7.285 1.00 0.00 C ATOM 1420 C PRO A 431 -8.392 -5.167 6.117 1.00 0.00 C ATOM 1421 O PRO A 431 -8.979 -4.089 6.197 1.00 0.00 O ATOM 1422 CB PRO A 431 -7.031 -6.389 7.801 1.00 0.00 C ATOM 1423 CG PRO A 431 -7.108 -7.774 8.424 1.00 0.00 C ATOM 1424 CD PRO A 431 -8.059 -8.507 7.478 1.00 0.00 C ATOM 0 HA PRO A 431 -9.129 -5.716 8.015 1.00 0.00 H new ATOM 0 HB2 PRO A 431 -6.298 -6.350 6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 431 -6.741 -5.634 8.532 1.00 0.00 H new ATOM 0 HG2 PRO A 431 -6.130 -8.254 8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 431 -7.494 -7.740 9.443 1.00 0.00 H new ATOM 0 HD2 PRO A 431 -7.506 -9.023 6.694 1.00 0.00 H new ATOM 0 HD3 PRO A 431 -8.634 -9.263 8.013 1.00 0.00 H new ATOM 1432 N LEU A 432 -7.700 -5.520 5.027 1.00 0.00 N ATOM 1433 CA LEU A 432 -7.565 -4.645 3.851 1.00 0.00 C ATOM 1434 C LEU A 432 -8.881 -4.389 3.116 1.00 0.00 C ATOM 1435 O LEU A 432 -9.083 -3.315 2.548 1.00 0.00 O ATOM 1436 CB LEU A 432 -6.557 -5.265 2.877 1.00 0.00 C ATOM 1437 CG LEU A 432 -5.147 -4.754 3.216 1.00 0.00 C ATOM 1438 CD1 LEU A 432 -4.109 -5.803 2.833 1.00 0.00 C ATOM 1439 CD2 LEU A 432 -4.853 -3.436 2.496 1.00 0.00 C ATOM 0 H LEU A 432 -7.219 -6.415 4.933 1.00 0.00 H new ATOM 0 HA LEU A 432 -7.222 -3.678 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -6.589 -6.352 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -6.815 -5.002 1.851 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.097 -4.573 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -3.112 -5.434 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -4.300 -6.723 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -4.171 -6.003 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -3.850 -3.097 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -4.920 -3.587 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -5.580 -2.684 2.803 1.00 0.00 H new