USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 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= -0.748 X(o=-3.4,f=-3.8) USER MOD Set 1.2: A 421 CYS SG : rot 70:sc= 0.278 USER MOD Set 1.3: A 426 CYS SG : rot 146:sc= -1.73! USER MOD Set 1.4: A 429 CYS SG : rot 165:sc= -1.21! USER MOD Set 2.1: A 393 HIS :FLIP no HD1:sc= -0.168 F(o=-1.3,f=0.3) USER MOD Set 2.2: A 397 CYS SG : rot 142:sc= 0.129 USER MOD Set 2.3: A 403 CYS SG : rot 130:sc= -0.297 USER MOD Set 2.4: A 408 CYS SG : rot 120:sc= 0.631 USER MOD Set 3.1: A 395 THR OG1 : rot -35:sc= 0.966 USER MOD Set 3.2: A 396 HIS : no HE2:sc= 0.476 K(o=1.4,f=-2) USER MOD Set 4.1: A 394 MET CE :methyl 177:sc= -0.525 (180deg=-0.264) USER MOD Set 4.2: A 411 SER OG : rot -48:sc= 1.02 USER MOD Set 5.1: A 364 HIS : no HE2:sc= 0.565 K(o=0.89,f=-3.6!) USER MOD Set 5.2: A 367 GLN : amide:sc= 0.329 K(o=0.89,f=-0.94) USER MOD Set 6.1: A 362 HIS :FLIP no HD1:sc= -0.0782 F(o=-0.085,f=0.45) USER MOD Set 6.2: A 366 CYS SG : rot -154:sc= -0.225 USER MOD Set 6.3: A 384 CYS SG : rot 30:sc= 0.756 USER MOD Set 7.1: A 356 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Set 7.2: A 387 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 349 LYS NZ :NH3+ -175:sc=-0.000835 (180deg=-0.0581) USER MOD Single : A 351 LYS NZ :NH3+ 167:sc= 1.07 (180deg=0.85) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 355 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.4!) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 383 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=-0.039) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 176:sc= 0.283 (180deg=0.262) USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 392 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=-0.034) 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) USER MOD Single : A 407 HIS : no HD1:sc= -0.238 K(o=-0.24,f=-1.3) USER MOD Single : A 410 SER OG : rot 83:sc= 0.749 USER MOD Single : A 413 GLN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 419 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00865) 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= 0.0595 K(o=0.06,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 347 4.604 -15.135 16.175 1.00 0.00 N ATOM 85 CA PRO A 347 3.598 -14.142 15.802 1.00 0.00 C ATOM 86 C PRO A 347 4.191 -12.848 15.240 1.00 0.00 C ATOM 87 O PRO A 347 3.515 -12.161 14.480 1.00 0.00 O ATOM 88 CB PRO A 347 2.785 -13.865 17.072 1.00 0.00 C ATOM 89 CG PRO A 347 3.067 -15.068 17.971 1.00 0.00 C ATOM 90 CD PRO A 347 4.493 -15.453 17.586 1.00 0.00 C ATOM 0 HA PRO A 347 2.982 -14.534 14.993 1.00 0.00 H new ATOM 0 HB2 PRO A 347 3.093 -12.933 17.546 1.00 0.00 H new ATOM 0 HB3 PRO A 347 1.721 -13.774 16.851 1.00 0.00 H new ATOM 0 HG2 PRO A 347 2.989 -14.810 19.027 1.00 0.00 H new ATOM 0 HG3 PRO A 347 2.365 -15.882 17.789 1.00 0.00 H new ATOM 0 HD2 PRO A 347 5.223 -14.897 18.174 1.00 0.00 H new ATOM 0 HD3 PRO A 347 4.678 -16.512 17.767 1.00 0.00 H new ATOM 98 N GLU A 348 5.451 -12.519 15.544 1.00 0.00 N ATOM 99 CA GLU A 348 6.125 -11.322 15.022 1.00 0.00 C ATOM 100 C GLU A 348 6.223 -11.388 13.497 1.00 0.00 C ATOM 101 O GLU A 348 5.979 -10.398 12.816 1.00 0.00 O ATOM 102 CB GLU A 348 7.525 -11.138 15.634 1.00 0.00 C ATOM 103 CG GLU A 348 7.580 -11.232 17.168 1.00 0.00 C ATOM 104 CD GLU A 348 6.612 -10.260 17.864 1.00 0.00 C ATOM 105 OE1 GLU A 348 6.599 -9.049 17.535 1.00 0.00 O ATOM 106 OE2 GLU A 348 5.827 -10.698 18.738 1.00 0.00 O ATOM 0 H GLU A 348 6.037 -13.079 16.163 1.00 0.00 H new ATOM 0 HA GLU A 348 5.523 -10.459 15.307 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.191 -11.892 15.214 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.913 -10.166 15.330 1.00 0.00 H new ATOM 0 HG2 GLU A 348 7.344 -12.252 17.473 1.00 0.00 H new ATOM 0 HG3 GLU A 348 8.597 -11.026 17.503 1.00 0.00 H new ATOM 113 N LYS A 349 6.491 -12.581 12.956 1.00 0.00 N ATOM 114 CA LYS A 349 6.553 -12.890 11.528 1.00 0.00 C ATOM 115 C LYS A 349 5.178 -12.715 10.889 1.00 0.00 C ATOM 116 O LYS A 349 5.107 -12.168 9.801 1.00 0.00 O ATOM 117 CB LYS A 349 7.116 -14.310 11.333 1.00 0.00 C ATOM 118 CG LYS A 349 8.567 -14.472 11.806 1.00 0.00 C ATOM 119 CD LYS A 349 9.615 -13.598 11.105 1.00 0.00 C ATOM 120 CE LYS A 349 11.042 -14.002 11.518 1.00 0.00 C ATOM 121 NZ LYS A 349 11.268 -13.918 12.987 1.00 0.00 N ATOM 0 H LYS A 349 6.680 -13.399 13.535 1.00 0.00 H new ATOM 0 HA LYS A 349 7.226 -12.195 11.026 1.00 0.00 H new ATOM 0 HB2 LYS A 349 6.487 -15.017 11.873 1.00 0.00 H new ATOM 0 HB3 LYS A 349 7.057 -14.572 10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 349 8.604 -14.259 12.874 1.00 0.00 H new ATOM 0 HG3 LYS A 349 8.853 -15.516 11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 349 9.506 -13.691 10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 349 9.444 -12.551 11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 349 11.236 -15.021 11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 349 11.758 -13.357 11.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 12.267 -14.119 13.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 11.030 -12.962 13.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 10.666 -14.614 13.471 1.00 0.00 H new ATOM 135 N ARG A 350 4.088 -13.098 11.567 1.00 0.00 N ATOM 136 CA ARG A 350 2.691 -12.907 11.114 1.00 0.00 C ATOM 137 C ARG A 350 2.365 -11.429 10.902 1.00 0.00 C ATOM 138 O ARG A 350 2.102 -11.021 9.766 1.00 0.00 O ATOM 139 CB ARG A 350 1.701 -13.615 12.070 1.00 0.00 C ATOM 140 CG ARG A 350 1.974 -15.107 12.344 1.00 0.00 C ATOM 141 CD ARG A 350 1.760 -16.058 11.153 1.00 0.00 C ATOM 142 NE ARG A 350 2.776 -15.925 10.087 1.00 0.00 N ATOM 143 CZ ARG A 350 4.009 -16.402 10.080 1.00 0.00 C ATOM 144 NH1 ARG A 350 4.517 -17.052 11.088 1.00 0.00 N ATOM 145 NH2 ARG A 350 4.770 -16.227 9.038 1.00 0.00 N ATOM 0 H ARG A 350 4.148 -13.563 12.473 1.00 0.00 H new ATOM 0 HA ARG A 350 2.579 -13.380 10.138 1.00 0.00 H new ATOM 0 HB2 ARG A 350 1.705 -13.085 13.022 1.00 0.00 H new ATOM 0 HB3 ARG A 350 0.697 -13.520 11.656 1.00 0.00 H new ATOM 0 HG2 ARG A 350 3.003 -15.211 12.687 1.00 0.00 H new ATOM 0 HG3 ARG A 350 1.331 -15.430 13.162 1.00 0.00 H new ATOM 0 HD2 ARG A 350 1.762 -17.086 11.517 1.00 0.00 H new ATOM 0 HD3 ARG A 350 0.774 -15.873 10.726 1.00 0.00 H new ATOM 0 HE ARG A 350 2.492 -15.403 9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 350 3.958 -17.211 11.926 1.00 0.00 H new ATOM 0 HH12 ARG A 350 5.474 -17.403 11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 350 4.415 -15.722 8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 350 5.721 -16.595 9.033 1.00 0.00 H new ATOM 159 N LYS A 351 2.457 -10.615 11.961 1.00 0.00 N ATOM 160 CA LYS A 351 2.259 -9.148 11.880 1.00 0.00 C ATOM 161 C LYS A 351 3.224 -8.510 10.881 1.00 0.00 C ATOM 162 O LYS A 351 2.811 -7.632 10.128 1.00 0.00 O ATOM 163 CB LYS A 351 2.317 -8.417 13.237 1.00 0.00 C ATOM 164 CG LYS A 351 2.978 -9.208 14.361 1.00 0.00 C ATOM 165 CD LYS A 351 3.327 -8.343 15.574 1.00 0.00 C ATOM 166 CE LYS A 351 3.298 -9.198 16.847 1.00 0.00 C ATOM 167 NZ LYS A 351 3.905 -8.491 18.000 1.00 0.00 N ATOM 0 H LYS A 351 2.670 -10.947 12.902 1.00 0.00 H new ATOM 0 HA LYS A 351 1.237 -9.023 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 351 2.856 -7.479 13.106 1.00 0.00 H new ATOM 0 HB3 LYS A 351 1.302 -8.161 13.540 1.00 0.00 H new ATOM 0 HG2 LYS A 351 2.311 -10.011 14.674 1.00 0.00 H new ATOM 0 HG3 LYS A 351 3.886 -9.677 13.983 1.00 0.00 H new ATOM 0 HD2 LYS A 351 4.315 -7.900 15.445 1.00 0.00 H new ATOM 0 HD3 LYS A 351 2.618 -7.520 15.661 1.00 0.00 H new ATOM 0 HE2 LYS A 351 2.267 -9.462 17.084 1.00 0.00 H new ATOM 0 HE3 LYS A 351 3.833 -10.131 16.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 3.674 -8.997 18.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 4.938 -8.457 17.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 3.530 -7.522 18.050 1.00 0.00 H new ATOM 181 N LEU A 352 4.482 -8.955 10.839 1.00 0.00 N ATOM 182 CA LEU A 352 5.478 -8.418 9.913 1.00 0.00 C ATOM 183 C LEU A 352 5.045 -8.714 8.467 1.00 0.00 C ATOM 184 O LEU A 352 5.046 -7.798 7.649 1.00 0.00 O ATOM 185 CB LEU A 352 6.856 -9.069 10.177 1.00 0.00 C ATOM 186 CG LEU A 352 7.809 -8.397 11.201 1.00 0.00 C ATOM 187 CD1 LEU A 352 9.195 -8.168 10.603 1.00 0.00 C ATOM 188 CD2 LEU A 352 7.307 -7.101 11.846 1.00 0.00 C ATOM 0 H LEU A 352 4.837 -9.695 11.444 1.00 0.00 H new ATOM 0 HA LEU A 352 5.557 -7.341 10.062 1.00 0.00 H new ATOM 0 HB2 LEU A 352 6.681 -10.092 10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 352 7.382 -9.129 9.224 1.00 0.00 H new ATOM 0 HG LEU A 352 7.853 -9.122 12.014 1.00 0.00 H new ATOM 0 HD11 LEU A 352 9.838 -7.696 11.346 1.00 0.00 H new ATOM 0 HD12 LEU A 352 9.625 -9.124 10.305 1.00 0.00 H new ATOM 0 HD13 LEU A 352 9.112 -7.520 9.730 1.00 0.00 H new ATOM 0 HD21 LEU A 352 8.058 -6.726 12.542 1.00 0.00 H new ATOM 0 HD22 LEU A 352 7.126 -6.356 11.072 1.00 0.00 H new ATOM 0 HD23 LEU A 352 6.380 -7.298 12.384 1.00 0.00 H new ATOM 200 N ILE A 353 4.659 -9.958 8.139 1.00 0.00 N ATOM 201 CA ILE A 353 4.265 -10.350 6.767 1.00 0.00 C ATOM 202 C ILE A 353 3.065 -9.543 6.264 1.00 0.00 C ATOM 203 O ILE A 353 3.098 -8.971 5.162 1.00 0.00 O ATOM 204 CB ILE A 353 4.100 -11.893 6.642 1.00 0.00 C ATOM 205 CG1 ILE A 353 4.915 -12.438 5.453 1.00 0.00 C ATOM 206 CG2 ILE A 353 2.650 -12.417 6.578 1.00 0.00 C ATOM 207 CD1 ILE A 353 5.335 -13.900 5.669 1.00 0.00 C ATOM 0 H ILE A 353 4.610 -10.722 8.813 1.00 0.00 H new ATOM 0 HA ILE A 353 5.079 -10.090 6.091 1.00 0.00 H new ATOM 0 HB ILE A 353 4.492 -12.276 7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 353 4.323 -12.361 4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 353 5.803 -11.823 5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 353 2.659 -13.504 6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 353 2.119 -12.129 7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 353 2.146 -11.989 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 353 5.907 -14.245 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 353 5.950 -13.973 6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 353 4.446 -14.520 5.786 1.00 0.00 H new ATOM 219 N GLN A 354 2.032 -9.429 7.110 1.00 0.00 N ATOM 220 CA GLN A 354 0.869 -8.612 6.743 1.00 0.00 C ATOM 221 C GLN A 354 1.251 -7.131 6.623 1.00 0.00 C ATOM 222 O GLN A 354 0.751 -6.456 5.728 1.00 0.00 O ATOM 223 CB GLN A 354 -0.338 -8.845 7.659 1.00 0.00 C ATOM 224 CG GLN A 354 -0.125 -8.484 9.128 1.00 0.00 C ATOM 225 CD GLN A 354 -1.427 -8.571 9.921 1.00 0.00 C ATOM 226 OE1 GLN A 354 -2.069 -7.576 10.227 1.00 0.00 O ATOM 227 NE2 GLN A 354 -1.868 -9.758 10.280 1.00 0.00 N ATOM 0 H GLN A 354 1.977 -9.877 8.025 1.00 0.00 H new ATOM 0 HA GLN A 354 0.543 -8.941 5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -1.179 -8.265 7.278 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -0.621 -9.896 7.598 1.00 0.00 H new ATOM 0 HG2 GLN A 354 0.614 -9.156 9.565 1.00 0.00 H new ATOM 0 HG3 GLN A 354 0.279 -7.474 9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -1.341 -10.595 10.030 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -2.737 -9.841 10.808 1.00 0.00 H new ATOM 236 N GLN A 355 2.177 -6.633 7.454 1.00 0.00 N ATOM 237 CA GLN A 355 2.677 -5.263 7.349 1.00 0.00 C ATOM 238 C GLN A 355 3.385 -5.042 6.002 1.00 0.00 C ATOM 239 O GLN A 355 3.137 -4.010 5.383 1.00 0.00 O ATOM 240 CB GLN A 355 3.533 -4.903 8.563 1.00 0.00 C ATOM 241 CG GLN A 355 4.075 -3.462 8.594 1.00 0.00 C ATOM 242 CD GLN A 355 3.034 -2.400 8.961 1.00 0.00 C ATOM 243 OE1 GLN A 355 1.826 -2.579 8.864 1.00 0.00 O ATOM 244 NE2 GLN A 355 3.461 -1.242 9.421 1.00 0.00 N ATOM 0 H GLN A 355 2.597 -7.169 8.214 1.00 0.00 H new ATOM 0 HA GLN A 355 1.835 -4.571 7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 355 2.942 -5.069 9.464 1.00 0.00 H new ATOM 0 HB3 GLN A 355 4.378 -5.590 8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 355 4.895 -3.411 9.310 1.00 0.00 H new ATOM 0 HG3 GLN A 355 4.491 -3.222 7.615 1.00 0.00 H new ATOM 0 HE21 GLN A 355 4.462 -1.067 9.512 1.00 0.00 H new ATOM 0 HE22 GLN A 355 2.791 -0.520 9.686 1.00 0.00 H new ATOM 253 N GLN A 356 4.172 -6.003 5.477 1.00 0.00 N ATOM 254 CA GLN A 356 4.713 -5.882 4.119 1.00 0.00 C ATOM 255 C GLN A 356 3.602 -5.745 3.083 1.00 0.00 C ATOM 256 O GLN A 356 3.582 -4.755 2.360 1.00 0.00 O ATOM 257 CB GLN A 356 5.659 -7.019 3.702 1.00 0.00 C ATOM 258 CG GLN A 356 6.516 -7.739 4.747 1.00 0.00 C ATOM 259 CD GLN A 356 7.530 -6.819 5.427 1.00 0.00 C ATOM 260 OE1 GLN A 356 8.538 -6.431 4.854 1.00 0.00 O ATOM 261 NE2 GLN A 356 7.320 -6.447 6.671 1.00 0.00 N ATOM 0 H GLN A 356 4.441 -6.856 5.968 1.00 0.00 H new ATOM 0 HA GLN A 356 5.312 -4.972 4.150 1.00 0.00 H new ATOM 0 HB2 GLN A 356 5.052 -7.777 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 356 6.339 -6.614 2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 356 5.865 -8.175 5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 356 7.045 -8.563 4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 356 6.484 -6.762 7.163 1.00 0.00 H new ATOM 0 HE22 GLN A 356 7.993 -5.844 7.143 1.00 0.00 H new ATOM 270 N LEU A 357 2.677 -6.711 3.031 1.00 0.00 N ATOM 271 CA LEU A 357 1.538 -6.682 2.088 1.00 0.00 C ATOM 272 C LEU A 357 0.767 -5.335 2.170 1.00 0.00 C ATOM 273 O LEU A 357 0.580 -4.649 1.165 1.00 0.00 O ATOM 274 CB LEU A 357 0.635 -7.901 2.386 1.00 0.00 C ATOM 275 CG LEU A 357 -0.133 -8.469 1.176 1.00 0.00 C ATOM 276 CD1 LEU A 357 -1.145 -9.515 1.641 1.00 0.00 C ATOM 277 CD2 LEU A 357 -0.858 -7.405 0.370 1.00 0.00 C ATOM 0 H LEU A 357 2.691 -7.533 3.635 1.00 0.00 H new ATOM 0 HA LEU A 357 1.898 -6.750 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 357 1.252 -8.694 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 357 -0.087 -7.618 3.152 1.00 0.00 H new ATOM 0 HG LEU A 357 0.616 -8.918 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -1.682 -9.910 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 357 -0.623 -10.327 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -1.853 -9.055 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -1.378 -7.873 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -1.581 -6.896 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 357 -0.136 -6.682 -0.010 1.00 0.00 H new ATOM 289 N VAL A 358 0.362 -4.901 3.364 1.00 0.00 N ATOM 290 CA VAL A 358 -0.358 -3.631 3.583 1.00 0.00 C ATOM 291 C VAL A 358 0.451 -2.403 3.127 1.00 0.00 C ATOM 292 O VAL A 358 -0.110 -1.501 2.503 1.00 0.00 O ATOM 293 CB VAL A 358 -0.761 -3.512 5.070 1.00 0.00 C ATOM 294 CG1 VAL A 358 -1.325 -2.133 5.444 1.00 0.00 C ATOM 295 CG2 VAL A 358 -1.834 -4.553 5.432 1.00 0.00 C ATOM 0 H VAL A 358 0.524 -5.425 4.224 1.00 0.00 H new ATOM 0 HA VAL A 358 -1.256 -3.648 2.965 1.00 0.00 H new ATOM 0 HB VAL A 358 0.162 -3.677 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 358 -1.587 -2.122 6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 358 -0.574 -1.367 5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 358 -2.215 -1.930 4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 358 -2.101 -4.449 6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 358 -2.719 -4.393 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 358 -1.444 -5.555 5.254 1.00 0.00 H new ATOM 305 N LEU A 359 1.764 -2.366 3.377 1.00 0.00 N ATOM 306 CA LEU A 359 2.629 -1.242 2.975 1.00 0.00 C ATOM 307 C LEU A 359 2.975 -1.290 1.483 1.00 0.00 C ATOM 308 O LEU A 359 3.246 -0.251 0.895 1.00 0.00 O ATOM 309 CB LEU A 359 3.892 -1.141 3.852 1.00 0.00 C ATOM 310 CG LEU A 359 3.743 -0.238 5.090 1.00 0.00 C ATOM 311 CD1 LEU A 359 2.559 -0.595 5.988 1.00 0.00 C ATOM 312 CD2 LEU A 359 5.027 -0.295 5.917 1.00 0.00 C ATOM 0 H LEU A 359 2.261 -3.112 3.863 1.00 0.00 H new ATOM 0 HA LEU A 359 2.055 -0.330 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.171 -2.142 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 359 4.713 -0.765 3.241 1.00 0.00 H new ATOM 0 HG LEU A 359 3.553 0.766 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 359 2.526 0.089 6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 359 1.633 -0.512 5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 359 2.672 -1.617 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 359 4.924 0.344 6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 359 5.210 -1.321 6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 359 5.865 0.052 5.312 1.00 0.00 H new ATOM 324 N LEU A 360 2.912 -2.461 0.851 1.00 0.00 N ATOM 325 CA LEU A 360 3.067 -2.671 -0.591 1.00 0.00 C ATOM 326 C LEU A 360 1.874 -2.059 -1.332 1.00 0.00 C ATOM 327 O LEU A 360 2.022 -1.309 -2.302 1.00 0.00 O ATOM 328 CB LEU A 360 3.095 -4.192 -0.832 1.00 0.00 C ATOM 329 CG LEU A 360 4.446 -4.829 -1.200 1.00 0.00 C ATOM 330 CD1 LEU A 360 5.660 -4.241 -0.475 1.00 0.00 C ATOM 331 CD2 LEU A 360 4.372 -6.320 -0.861 1.00 0.00 C ATOM 0 H LEU A 360 2.743 -3.333 1.353 1.00 0.00 H new ATOM 0 HA LEU A 360 3.981 -2.202 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 360 2.727 -4.682 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.388 -4.419 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 360 4.598 -4.629 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 360 6.563 -4.756 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 360 5.743 -3.179 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 360 5.539 -4.369 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.319 -6.798 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 360 4.176 -6.442 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 360 3.568 -6.784 -1.433 1.00 0.00 H new ATOM 343 N LEU A 361 0.675 -2.360 -0.835 1.00 0.00 N ATOM 344 CA LEU A 361 -0.562 -1.803 -1.365 1.00 0.00 C ATOM 345 C LEU A 361 -0.586 -0.286 -1.143 1.00 0.00 C ATOM 346 O LEU A 361 -0.889 0.467 -2.074 1.00 0.00 O ATOM 347 CB LEU A 361 -1.740 -2.530 -0.711 1.00 0.00 C ATOM 348 CG LEU A 361 -1.774 -4.029 -1.073 1.00 0.00 C ATOM 349 CD1 LEU A 361 -2.952 -4.682 -0.359 1.00 0.00 C ATOM 350 CD2 LEU A 361 -1.928 -4.293 -2.572 1.00 0.00 C ATOM 0 H LEU A 361 0.537 -2.999 -0.052 1.00 0.00 H new ATOM 0 HA LEU A 361 -0.636 -1.955 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 361 -1.676 -2.421 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 361 -2.673 -2.061 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 361 -0.816 -4.446 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 361 -2.986 -5.743 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 361 -2.834 -4.566 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 361 -3.879 -4.205 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 361 -1.944 -5.368 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 361 -2.860 -3.852 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 361 -1.090 -3.848 -3.108 1.00 0.00 H new ATOM 362 N HIS A 362 -0.171 0.165 0.050 1.00 0.00 N ATOM 363 CA HIS A 362 -0.018 1.590 0.339 1.00 0.00 C ATOM 364 C HIS A 362 1.018 2.218 -0.605 1.00 0.00 C ATOM 365 O HIS A 362 0.785 3.304 -1.120 1.00 0.00 O ATOM 366 CB HIS A 362 0.368 1.834 1.803 1.00 0.00 C ATOM 367 CG HIS A 362 0.348 3.304 2.147 1.00 0.00 C ATOM 368 ND1 HIS A 362 1.301 4.232 1.818 1.00 0.00 N flip ATOM 369 CD2 HIS A 362 -0.678 3.983 2.764 1.00 0.00 C flip ATOM 370 CE1 HIS A 362 0.842 5.490 2.225 1.00 0.00 C flip ATOM 371 NE2 HIS A 362 -0.353 5.288 2.801 1.00 0.00 N flip ATOM 0 H HIS A 362 0.065 -0.445 0.832 1.00 0.00 H new ATOM 0 HA HIS A 362 -0.983 2.068 0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 362 -0.321 1.298 2.455 1.00 0.00 H new ATOM 0 HB3 HIS A 362 1.363 1.430 1.989 1.00 0.00 H new ATOM 0 HD2 HIS A 362 -1.586 3.545 3.151 1.00 0.00 H new ATOM 0 HE1 HIS A 362 1.349 6.435 2.100 1.00 0.00 H new ATOM 0 HE2 HIS A 362 -0.933 6.021 3.209 1.00 0.00 H new ATOM 379 N ALA A 363 2.141 1.544 -0.868 1.00 0.00 N ATOM 380 CA ALA A 363 3.174 2.022 -1.774 1.00 0.00 C ATOM 381 C ALA A 363 2.618 2.285 -3.172 1.00 0.00 C ATOM 382 O ALA A 363 2.845 3.371 -3.691 1.00 0.00 O ATOM 383 CB ALA A 363 4.348 1.042 -1.818 1.00 0.00 C ATOM 0 H ALA A 363 2.355 0.639 -0.449 1.00 0.00 H new ATOM 0 HA ALA A 363 3.540 2.974 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 363 5.110 1.417 -2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 363 4.774 0.940 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 363 3.998 0.070 -2.164 1.00 0.00 H new ATOM 389 N HIS A 364 1.874 1.347 -3.772 1.00 0.00 N ATOM 390 CA HIS A 364 1.264 1.560 -5.088 1.00 0.00 C ATOM 391 C HIS A 364 0.277 2.742 -5.075 1.00 0.00 C ATOM 392 O HIS A 364 0.361 3.659 -5.899 1.00 0.00 O ATOM 393 CB HIS A 364 0.565 0.278 -5.546 1.00 0.00 C ATOM 394 CG HIS A 364 0.181 0.276 -7.009 1.00 0.00 C ATOM 395 ND1 HIS A 364 0.603 1.150 -7.994 1.00 0.00 N ATOM 396 CD2 HIS A 364 -0.660 -0.622 -7.610 1.00 0.00 C ATOM 397 CE1 HIS A 364 0.033 0.784 -9.154 1.00 0.00 C ATOM 398 NE2 HIS A 364 -0.751 -0.294 -8.972 1.00 0.00 N ATOM 0 H HIS A 364 1.681 0.432 -3.365 1.00 0.00 H new ATOM 0 HA HIS A 364 2.056 1.810 -5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 364 1.221 -0.571 -5.352 1.00 0.00 H new ATOM 0 HB3 HIS A 364 -0.332 0.131 -4.945 1.00 0.00 H new ATOM 0 HD1 HIS A 364 1.238 1.937 -7.862 1.00 0.00 H new ATOM 0 HD2 HIS A 364 -1.166 -1.441 -7.121 1.00 0.00 H new ATOM 0 HE1 HIS A 364 0.183 1.284 -10.099 1.00 0.00 H new ATOM 406 N LYS A 365 -0.619 2.742 -4.079 1.00 0.00 N ATOM 407 CA LYS A 365 -1.598 3.811 -3.798 1.00 0.00 C ATOM 408 C LYS A 365 -0.950 5.195 -3.779 1.00 0.00 C ATOM 409 O LYS A 365 -1.306 6.089 -4.548 1.00 0.00 O ATOM 410 CB LYS A 365 -2.271 3.477 -2.445 1.00 0.00 C ATOM 411 CG LYS A 365 -2.758 4.659 -1.581 1.00 0.00 C ATOM 412 CD LYS A 365 -3.435 4.097 -0.320 1.00 0.00 C ATOM 413 CE LYS A 365 -4.146 5.214 0.455 1.00 0.00 C ATOM 414 NZ LYS A 365 -4.919 4.673 1.607 1.00 0.00 N ATOM 0 H LYS A 365 -0.688 1.968 -3.418 1.00 0.00 H new ATOM 0 HA LYS A 365 -2.343 3.850 -4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 365 -3.126 2.832 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 365 -1.565 2.896 -1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 365 -1.919 5.299 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 365 -3.459 5.276 -2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 365 -4.154 3.327 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 365 -2.690 3.622 0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 365 -3.411 5.933 0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 365 -4.817 5.752 -0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 -5.387 5.455 2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 -5.637 4.005 1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 -4.274 4.181 2.258 1.00 0.00 H new ATOM 428 N CYS A 366 0.000 5.346 -2.868 1.00 0.00 N ATOM 429 CA CYS A 366 0.713 6.565 -2.564 1.00 0.00 C ATOM 430 C CYS A 366 1.702 6.930 -3.688 1.00 0.00 C ATOM 431 O CYS A 366 1.999 8.102 -3.881 1.00 0.00 O ATOM 432 CB CYS A 366 1.256 6.354 -1.145 1.00 0.00 C ATOM 433 SG CYS A 366 1.971 7.823 -0.356 1.00 0.00 S ATOM 0 H CYS A 366 0.309 4.566 -2.287 1.00 0.00 H new ATOM 0 HA CYS A 366 0.104 7.469 -2.546 1.00 0.00 H new ATOM 0 HB2 CYS A 366 0.446 5.983 -0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 366 2.017 5.574 -1.178 1.00 0.00 H new ATOM 0 HG CYS A 366 2.843 7.456 0.535 1.00 0.00 H new ATOM 438 N GLN A 367 2.178 5.969 -4.490 1.00 0.00 N ATOM 439 CA GLN A 367 2.988 6.218 -5.694 1.00 0.00 C ATOM 440 C GLN A 367 2.120 6.926 -6.737 1.00 0.00 C ATOM 441 O GLN A 367 2.512 7.987 -7.223 1.00 0.00 O ATOM 442 CB GLN A 367 3.609 4.895 -6.191 1.00 0.00 C ATOM 443 CG GLN A 367 4.118 4.866 -7.644 1.00 0.00 C ATOM 444 CD GLN A 367 3.036 4.462 -8.650 1.00 0.00 C ATOM 445 OE1 GLN A 367 2.342 3.463 -8.501 1.00 0.00 O ATOM 446 NE2 GLN A 367 2.842 5.216 -9.711 1.00 0.00 N ATOM 0 H GLN A 367 2.009 4.978 -4.319 1.00 0.00 H new ATOM 0 HA GLN A 367 3.827 6.879 -5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 367 4.442 4.644 -5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 367 2.865 4.107 -6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 367 4.502 5.851 -7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 367 4.952 4.169 -7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 367 3.409 6.052 -9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 367 2.124 4.965 -10.391 1.00 0.00 H new ATOM 455 N ARG A 368 0.923 6.406 -7.043 1.00 0.00 N ATOM 456 CA ARG A 368 -0.012 7.057 -7.979 1.00 0.00 C ATOM 457 C ARG A 368 -0.431 8.440 -7.498 1.00 0.00 C ATOM 458 O ARG A 368 -0.406 9.401 -8.272 1.00 0.00 O ATOM 459 CB ARG A 368 -1.216 6.124 -8.223 1.00 0.00 C ATOM 460 CG ARG A 368 -2.231 6.665 -9.244 1.00 0.00 C ATOM 461 CD ARG A 368 -1.638 6.794 -10.656 1.00 0.00 C ATOM 462 NE ARG A 368 -2.610 7.380 -11.597 1.00 0.00 N ATOM 463 CZ ARG A 368 -2.853 8.665 -11.792 1.00 0.00 C ATOM 464 NH1 ARG A 368 -2.232 9.604 -11.133 1.00 0.00 N ATOM 465 NH2 ARG A 368 -3.745 9.036 -12.665 1.00 0.00 N ATOM 0 H ARG A 368 0.575 5.530 -6.654 1.00 0.00 H new ATOM 0 HA ARG A 368 0.494 7.223 -8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -0.849 5.157 -8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 368 -1.726 5.951 -7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 368 -3.096 6.003 -9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 368 -2.588 7.640 -8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 368 -0.743 7.416 -10.621 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -1.330 5.812 -11.014 1.00 0.00 H new ATOM 0 HE ARG A 368 -3.153 6.724 -12.158 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -1.529 9.358 -10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -2.450 10.584 -11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -4.258 8.335 -13.200 1.00 0.00 H new ATOM 0 HH22 ARG A 368 -3.931 10.028 -12.814 1.00 0.00 H new ATOM 479 N ARG A 369 -0.783 8.532 -6.217 1.00 0.00 N ATOM 480 CA ARG A 369 -1.220 9.763 -5.555 1.00 0.00 C ATOM 481 C ARG A 369 -0.137 10.842 -5.532 1.00 0.00 C ATOM 482 O ARG A 369 -0.433 12.010 -5.765 1.00 0.00 O ATOM 483 CB ARG A 369 -1.715 9.356 -4.154 1.00 0.00 C ATOM 484 CG ARG A 369 -1.728 10.427 -3.053 1.00 0.00 C ATOM 485 CD ARG A 369 -1.956 9.771 -1.682 1.00 0.00 C ATOM 486 NE ARG A 369 -3.370 9.408 -1.459 1.00 0.00 N ATOM 487 CZ ARG A 369 -3.923 9.107 -0.298 1.00 0.00 C ATOM 488 NH1 ARG A 369 -3.227 9.004 0.799 1.00 0.00 N ATOM 489 NH2 ARG A 369 -5.206 8.900 -0.215 1.00 0.00 N ATOM 0 H ARG A 369 -0.772 7.727 -5.590 1.00 0.00 H new ATOM 0 HA ARG A 369 -2.029 10.234 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -2.730 8.971 -4.257 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -1.094 8.529 -3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 369 -0.783 10.971 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -2.514 11.155 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -1.338 8.877 -1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 369 -1.631 10.454 -0.897 1.00 0.00 H new ATOM 0 HE ARG A 369 -3.977 9.388 -2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 369 -2.219 9.158 0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 369 -3.690 8.770 1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -5.789 8.970 -1.049 1.00 0.00 H new ATOM 0 HH22 ARG A 369 -5.628 8.668 0.684 1.00 0.00 H new ATOM 503 N GLU A 370 1.112 10.460 -5.271 1.00 0.00 N ATOM 504 CA GLU A 370 2.249 11.389 -5.253 1.00 0.00 C ATOM 505 C GLU A 370 2.570 11.878 -6.667 1.00 0.00 C ATOM 506 O GLU A 370 2.602 13.080 -6.932 1.00 0.00 O ATOM 507 CB GLU A 370 3.472 10.685 -4.652 1.00 0.00 C ATOM 508 CG GLU A 370 4.711 11.579 -4.489 1.00 0.00 C ATOM 509 CD GLU A 370 5.804 10.890 -3.644 1.00 0.00 C ATOM 510 OE1 GLU A 370 5.954 9.646 -3.718 1.00 0.00 O ATOM 511 OE2 GLU A 370 6.497 11.578 -2.859 1.00 0.00 O ATOM 0 H GLU A 370 1.369 9.495 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 370 1.988 12.254 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 370 3.200 10.283 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 370 3.733 9.837 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 370 5.113 11.827 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 370 4.423 12.518 -4.016 1.00 0.00 H new ATOM 518 N GLN A 371 2.776 10.932 -7.586 1.00 0.00 N ATOM 519 CA GLN A 371 3.081 11.211 -8.995 1.00 0.00 C ATOM 520 C GLN A 371 1.973 12.005 -9.713 1.00 0.00 C ATOM 521 O GLN A 371 2.266 12.697 -10.690 1.00 0.00 O ATOM 522 CB GLN A 371 3.424 9.907 -9.736 1.00 0.00 C ATOM 523 CG GLN A 371 4.726 9.251 -9.231 1.00 0.00 C ATOM 524 CD GLN A 371 5.968 10.124 -9.423 1.00 0.00 C ATOM 525 OE1 GLN A 371 6.224 10.678 -10.485 1.00 0.00 O ATOM 526 NE2 GLN A 371 6.789 10.290 -8.407 1.00 0.00 N ATOM 0 H GLN A 371 2.736 9.936 -7.371 1.00 0.00 H new ATOM 0 HA GLN A 371 3.956 11.860 -9.010 1.00 0.00 H new ATOM 0 HB2 GLN A 371 2.600 9.203 -9.620 1.00 0.00 H new ATOM 0 HB3 GLN A 371 3.518 10.115 -10.802 1.00 0.00 H new ATOM 0 HG2 GLN A 371 4.617 9.017 -8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 371 4.873 8.306 -9.753 1.00 0.00 H new ATOM 0 HE21 GLN A 371 6.594 9.837 -7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 371 7.620 10.871 -8.513 1.00 0.00 H new ATOM 535 N ALA A 372 0.720 11.957 -9.233 1.00 0.00 N ATOM 536 CA ALA A 372 -0.388 12.741 -9.793 1.00 0.00 C ATOM 537 C ALA A 372 -0.143 14.271 -9.819 1.00 0.00 C ATOM 538 O ALA A 372 -0.730 14.957 -10.662 1.00 0.00 O ATOM 539 CB ALA A 372 -1.669 12.440 -9.001 1.00 0.00 C ATOM 0 H ALA A 372 0.448 11.371 -8.443 1.00 0.00 H new ATOM 0 HA ALA A 372 -0.481 12.436 -10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 372 -2.496 13.019 -9.412 1.00 0.00 H new ATOM 0 HB2 ALA A 372 -1.900 11.377 -9.073 1.00 0.00 H new ATOM 0 HB3 ALA A 372 -1.522 12.710 -7.955 1.00 0.00 H new ATOM 652 N LEU A 381 3.882 7.811 7.747 1.00 0.00 N ATOM 653 CA LEU A 381 4.957 6.913 8.198 1.00 0.00 C ATOM 654 C LEU A 381 6.185 6.946 7.258 1.00 0.00 C ATOM 655 O LEU A 381 6.011 7.068 6.043 1.00 0.00 O ATOM 656 CB LEU A 381 4.411 5.473 8.383 1.00 0.00 C ATOM 657 CG LEU A 381 4.067 4.643 7.123 1.00 0.00 C ATOM 658 CD1 LEU A 381 3.701 3.215 7.538 1.00 0.00 C ATOM 659 CD2 LEU A 381 2.888 5.190 6.317 1.00 0.00 C ATOM 0 HA LEU A 381 5.308 7.274 9.165 1.00 0.00 H new ATOM 0 HB2 LEU A 381 5.147 4.911 8.958 1.00 0.00 H new ATOM 0 HB3 LEU A 381 3.510 5.537 8.993 1.00 0.00 H new ATOM 0 HG LEU A 381 4.956 4.686 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 381 3.458 2.629 6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 381 4.545 2.759 8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 381 2.838 3.239 8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 381 2.712 4.552 5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 381 1.996 5.207 6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 381 3.115 6.202 5.982 1.00 0.00 H new ATOM 671 N PRO A 382 7.426 6.815 7.776 1.00 0.00 N ATOM 672 CA PRO A 382 8.643 6.826 6.954 1.00 0.00 C ATOM 673 C PRO A 382 8.814 5.543 6.124 1.00 0.00 C ATOM 674 O PRO A 382 9.357 5.585 5.018 1.00 0.00 O ATOM 675 CB PRO A 382 9.796 7.005 7.949 1.00 0.00 C ATOM 676 CG PRO A 382 9.268 6.372 9.236 1.00 0.00 C ATOM 677 CD PRO A 382 7.768 6.666 9.186 1.00 0.00 C ATOM 0 HA PRO A 382 8.605 7.627 6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 382 10.704 6.510 7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 382 10.041 8.057 8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 382 9.467 5.301 9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 382 9.734 6.809 10.119 1.00 0.00 H new ATOM 0 HD2 PRO A 382 7.198 5.856 9.641 1.00 0.00 H new ATOM 0 HD3 PRO A 382 7.531 7.573 9.741 1.00 0.00 H new ATOM 685 N HIS A 383 8.321 4.405 6.631 1.00 0.00 N ATOM 686 CA HIS A 383 8.381 3.095 5.967 1.00 0.00 C ATOM 687 C HIS A 383 7.633 3.056 4.619 1.00 0.00 C ATOM 688 O HIS A 383 7.900 2.184 3.791 1.00 0.00 O ATOM 689 CB HIS A 383 7.862 2.017 6.929 1.00 0.00 C ATOM 690 CG HIS A 383 8.573 2.002 8.263 1.00 0.00 C ATOM 691 ND1 HIS A 383 9.923 1.807 8.468 1.00 0.00 N ATOM 692 CD2 HIS A 383 8.005 2.198 9.495 1.00 0.00 C ATOM 693 CE1 HIS A 383 10.163 1.881 9.789 1.00 0.00 C ATOM 694 NE2 HIS A 383 9.020 2.122 10.459 1.00 0.00 N ATOM 0 H HIS A 383 7.857 4.369 7.539 1.00 0.00 H new ATOM 0 HA HIS A 383 9.424 2.897 5.720 1.00 0.00 H new ATOM 0 HB2 HIS A 383 6.796 2.174 7.097 1.00 0.00 H new ATOM 0 HB3 HIS A 383 7.970 1.040 6.458 1.00 0.00 H new ATOM 0 HD2 HIS A 383 6.958 2.379 9.689 1.00 0.00 H new ATOM 0 HE1 HIS A 383 11.134 1.764 10.247 1.00 0.00 H new ATOM 0 HE2 HIS A 383 8.914 2.228 11.468 1.00 0.00 H new ATOM 702 N CYS A 384 6.742 4.024 4.370 1.00 0.00 N ATOM 703 CA CYS A 384 6.021 4.198 3.113 1.00 0.00 C ATOM 704 C CYS A 384 6.998 4.306 1.929 1.00 0.00 C ATOM 705 O CYS A 384 6.890 3.558 0.958 1.00 0.00 O ATOM 706 CB CYS A 384 5.146 5.451 3.275 1.00 0.00 C ATOM 707 SG CYS A 384 4.317 5.874 1.726 1.00 0.00 S ATOM 0 H CYS A 384 6.498 4.729 5.065 1.00 0.00 H new ATOM 0 HA CYS A 384 5.392 3.336 2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 384 4.403 5.280 4.054 1.00 0.00 H new ATOM 0 HB3 CYS A 384 5.763 6.289 3.601 1.00 0.00 H new ATOM 0 HG CYS A 384 4.103 4.792 1.038 1.00 0.00 H new ATOM 712 N ARG A 385 7.999 5.196 2.026 1.00 0.00 N ATOM 713 CA ARG A 385 9.026 5.399 0.983 1.00 0.00 C ATOM 714 C ARG A 385 9.934 4.173 0.798 1.00 0.00 C ATOM 715 O ARG A 385 10.334 3.865 -0.325 1.00 0.00 O ATOM 716 CB ARG A 385 9.793 6.711 1.234 1.00 0.00 C ATOM 717 CG ARG A 385 9.118 7.927 0.561 1.00 0.00 C ATOM 718 CD ARG A 385 7.675 8.213 1.015 1.00 0.00 C ATOM 719 NE ARG A 385 7.064 9.316 0.243 1.00 0.00 N ATOM 720 CZ ARG A 385 5.781 9.629 0.190 1.00 0.00 C ATOM 721 NH1 ARG A 385 4.869 8.933 0.800 1.00 0.00 N ATOM 722 NH2 ARG A 385 5.375 10.648 -0.505 1.00 0.00 N ATOM 0 H ARG A 385 8.122 5.802 2.837 1.00 0.00 H new ATOM 0 HA ARG A 385 8.521 5.506 0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 385 9.865 6.887 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 385 10.811 6.611 0.859 1.00 0.00 H new ATOM 0 HG2 ARG A 385 9.724 8.812 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 385 9.118 7.771 -0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 385 7.073 7.312 0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 385 7.671 8.466 2.075 1.00 0.00 H new ATOM 0 HE ARG A 385 7.699 9.896 -0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 385 5.133 8.112 1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 385 3.889 9.208 0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 385 6.049 11.217 -1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 385 4.382 10.880 -0.538 1.00 0.00 H new ATOM 736 N THR A 386 10.186 3.419 1.866 1.00 0.00 N ATOM 737 CA THR A 386 10.938 2.152 1.827 1.00 0.00 C ATOM 738 C THR A 386 10.159 1.122 1.008 1.00 0.00 C ATOM 739 O THR A 386 10.684 0.566 0.041 1.00 0.00 O ATOM 740 CB THR A 386 11.194 1.607 3.245 1.00 0.00 C ATOM 741 OG1 THR A 386 11.710 2.619 4.086 1.00 0.00 O ATOM 742 CG2 THR A 386 12.183 0.442 3.248 1.00 0.00 C ATOM 0 H THR A 386 9.871 3.670 2.803 1.00 0.00 H new ATOM 0 HA THR A 386 11.905 2.342 1.361 1.00 0.00 H new ATOM 0 HB THR A 386 10.230 1.257 3.614 1.00 0.00 H new ATOM 0 HG1 THR A 386 11.864 2.253 4.982 1.00 0.00 H new ATOM 0 HG21 THR A 386 12.331 0.093 4.270 1.00 0.00 H new ATOM 0 HG22 THR A 386 11.788 -0.372 2.640 1.00 0.00 H new ATOM 0 HG23 THR A 386 13.136 0.773 2.836 1.00 0.00 H new ATOM 750 N MET A 387 8.879 0.901 1.326 1.00 0.00 N ATOM 751 CA MET A 387 8.048 -0.020 0.546 1.00 0.00 C ATOM 752 C MET A 387 7.771 0.499 -0.866 1.00 0.00 C ATOM 753 O MET A 387 7.679 -0.313 -1.775 1.00 0.00 O ATOM 754 CB MET A 387 6.756 -0.397 1.279 1.00 0.00 C ATOM 755 CG MET A 387 6.907 -1.816 1.846 1.00 0.00 C ATOM 756 SD MET A 387 8.148 -1.991 3.158 1.00 0.00 S ATOM 757 CE MET A 387 8.531 -3.754 2.968 1.00 0.00 C ATOM 0 H MET A 387 8.400 1.343 2.111 1.00 0.00 H new ATOM 0 HA MET A 387 8.628 -0.936 0.435 1.00 0.00 H new ATOM 0 HB2 MET A 387 6.557 0.312 2.083 1.00 0.00 H new ATOM 0 HB3 MET A 387 5.907 -0.351 0.597 1.00 0.00 H new ATOM 0 HG2 MET A 387 5.942 -2.140 2.235 1.00 0.00 H new ATOM 0 HG3 MET A 387 7.165 -2.491 1.030 1.00 0.00 H new ATOM 0 HE1 MET A 387 9.284 -4.044 3.701 1.00 0.00 H new ATOM 0 HE2 MET A 387 7.627 -4.342 3.126 1.00 0.00 H new ATOM 0 HE3 MET A 387 8.912 -3.937 1.963 1.00 0.00 H new ATOM 767 N LYS A 388 7.714 1.816 -1.105 1.00 0.00 N ATOM 768 CA LYS A 388 7.643 2.396 -2.463 1.00 0.00 C ATOM 769 C LYS A 388 8.880 2.003 -3.264 1.00 0.00 C ATOM 770 O LYS A 388 8.742 1.634 -4.430 1.00 0.00 O ATOM 771 CB LYS A 388 7.527 3.920 -2.375 1.00 0.00 C ATOM 772 CG LYS A 388 6.087 4.414 -2.181 1.00 0.00 C ATOM 773 CD LYS A 388 6.090 5.815 -1.557 1.00 0.00 C ATOM 774 CE LYS A 388 4.749 6.549 -1.672 1.00 0.00 C ATOM 775 NZ LYS A 388 4.679 7.356 -2.914 1.00 0.00 N ATOM 0 H LYS A 388 7.716 2.516 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 388 6.761 2.007 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 388 8.140 4.276 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 388 7.934 4.361 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.569 4.436 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.540 3.723 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.359 5.732 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 388 6.863 6.414 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 388 3.934 5.825 -1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 388 4.612 7.197 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 3.736 7.786 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.399 8.105 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 4.853 6.743 -3.736 1.00 0.00 H new ATOM 789 N ASN A 389 10.064 2.007 -2.642 1.00 0.00 N ATOM 790 CA ASN A 389 11.286 1.547 -3.312 1.00 0.00 C ATOM 791 C ASN A 389 11.194 0.039 -3.630 1.00 0.00 C ATOM 792 O ASN A 389 11.496 -0.377 -4.745 1.00 0.00 O ATOM 793 CB ASN A 389 12.517 1.895 -2.457 1.00 0.00 C ATOM 794 CG ASN A 389 13.812 1.490 -3.143 1.00 0.00 C ATOM 795 OD1 ASN A 389 14.157 1.977 -4.211 1.00 0.00 O ATOM 796 ND2 ASN A 389 14.570 0.585 -2.564 1.00 0.00 N ATOM 0 H ASN A 389 10.202 2.322 -1.682 1.00 0.00 H new ATOM 0 HA ASN A 389 11.395 2.064 -4.265 1.00 0.00 H new ATOM 0 HB2 ASN A 389 12.530 2.967 -2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 389 12.444 1.393 -1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 389 15.442 0.292 -3.005 1.00 0.00 H new ATOM 0 HD22 ASN A 389 14.286 0.176 -1.674 1.00 0.00 H new ATOM 803 N VAL A 390 10.714 -0.773 -2.679 1.00 0.00 N ATOM 804 CA VAL A 390 10.495 -2.228 -2.849 1.00 0.00 C ATOM 805 C VAL A 390 9.447 -2.538 -3.929 1.00 0.00 C ATOM 806 O VAL A 390 9.616 -3.469 -4.713 1.00 0.00 O ATOM 807 CB VAL A 390 10.057 -2.836 -1.501 1.00 0.00 C ATOM 808 CG1 VAL A 390 9.554 -4.281 -1.580 1.00 0.00 C ATOM 809 CG2 VAL A 390 11.210 -2.824 -0.496 1.00 0.00 C ATOM 0 H VAL A 390 10.460 -0.437 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 390 11.435 -2.672 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 390 9.227 -2.203 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 390 9.269 -4.622 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 390 8.689 -4.330 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.345 -4.921 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 390 10.876 -3.258 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 390 12.042 -3.408 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 390 11.535 -1.797 -0.328 1.00 0.00 H new ATOM 819 N LEU A 391 8.366 -1.762 -3.992 1.00 0.00 N ATOM 820 CA LEU A 391 7.266 -1.912 -4.946 1.00 0.00 C ATOM 821 C LEU A 391 7.729 -1.519 -6.357 1.00 0.00 C ATOM 822 O LEU A 391 7.605 -2.308 -7.291 1.00 0.00 O ATOM 823 CB LEU A 391 6.067 -1.108 -4.395 1.00 0.00 C ATOM 824 CG LEU A 391 4.739 -1.078 -5.178 1.00 0.00 C ATOM 825 CD1 LEU A 391 4.711 0.073 -6.181 1.00 0.00 C ATOM 826 CD2 LEU A 391 4.388 -2.388 -5.880 1.00 0.00 C ATOM 0 H LEU A 391 8.226 -0.979 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 391 6.940 -2.947 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.848 -1.492 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.396 -0.076 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 391 3.973 -0.924 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 391 3.762 0.066 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 391 4.822 1.019 -5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 391 5.529 -0.044 -6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 391 3.440 -2.276 -6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 391 5.172 -2.639 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 391 4.302 -3.185 -5.141 1.00 0.00 H new ATOM 838 N ASN A 392 8.357 -0.350 -6.516 1.00 0.00 N ATOM 839 CA ASN A 392 8.949 0.067 -7.792 1.00 0.00 C ATOM 840 C ASN A 392 10.039 -0.929 -8.241 1.00 0.00 C ATOM 841 O ASN A 392 10.173 -1.218 -9.433 1.00 0.00 O ATOM 842 CB ASN A 392 9.492 1.494 -7.620 1.00 0.00 C ATOM 843 CG ASN A 392 10.185 2.015 -8.868 1.00 0.00 C ATOM 844 OD1 ASN A 392 11.393 1.913 -9.025 1.00 0.00 O ATOM 845 ND2 ASN A 392 9.451 2.598 -9.788 1.00 0.00 N ATOM 0 H ASN A 392 8.469 0.333 -5.766 1.00 0.00 H new ATOM 0 HA ASN A 392 8.198 0.068 -8.582 1.00 0.00 H new ATOM 0 HB2 ASN A 392 8.670 2.162 -7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 392 10.193 1.513 -6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 392 9.889 2.965 -10.633 1.00 0.00 H new ATOM 0 HD22 ASN A 392 8.443 2.683 -9.658 1.00 0.00 H new ATOM 852 N HIS A 393 10.772 -1.525 -7.294 1.00 0.00 N ATOM 853 CA HIS A 393 11.708 -2.592 -7.619 1.00 0.00 C ATOM 854 C HIS A 393 10.928 -3.800 -8.146 1.00 0.00 C ATOM 855 O HIS A 393 11.261 -4.282 -9.223 1.00 0.00 O ATOM 856 CB HIS A 393 12.580 -2.968 -6.420 1.00 0.00 C ATOM 857 CG HIS A 393 13.488 -4.130 -6.745 1.00 0.00 C ATOM 858 ND1 HIS A 393 13.109 -5.444 -6.730 1.00 0.00 N flip ATOM 859 CD2 HIS A 393 14.728 -4.076 -7.342 1.00 0.00 C flip ATOM 860 CE1 HIS A 393 14.107 -6.197 -7.361 1.00 0.00 C flip ATOM 861 NE2 HIS A 393 15.074 -5.326 -7.697 1.00 0.00 N flip ATOM 0 H HIS A 393 10.732 -1.284 -6.304 1.00 0.00 H new ATOM 0 HA HIS A 393 12.388 -2.239 -8.394 1.00 0.00 H new ATOM 0 HB2 HIS A 393 13.179 -2.108 -6.120 1.00 0.00 H new ATOM 0 HB3 HIS A 393 11.945 -3.226 -5.572 1.00 0.00 H new ATOM 0 HD2 HIS A 393 15.319 -3.186 -7.498 1.00 0.00 H new ATOM 0 HE1 HIS A 393 14.101 -7.262 -7.541 1.00 0.00 H new ATOM 0 HE2 HIS A 393 15.949 -5.578 -8.157 1.00 0.00 H new ATOM 869 N MET A 394 9.874 -4.266 -7.455 1.00 0.00 N ATOM 870 CA MET A 394 9.058 -5.393 -7.932 1.00 0.00 C ATOM 871 C MET A 394 8.462 -5.146 -9.331 1.00 0.00 C ATOM 872 O MET A 394 8.262 -6.111 -10.072 1.00 0.00 O ATOM 873 CB MET A 394 8.001 -5.870 -6.911 1.00 0.00 C ATOM 874 CG MET A 394 6.609 -5.214 -6.964 1.00 0.00 C ATOM 875 SD MET A 394 5.195 -6.294 -6.593 1.00 0.00 S ATOM 876 CE MET A 394 5.603 -6.813 -4.908 1.00 0.00 C ATOM 0 H MET A 394 9.568 -3.878 -6.563 1.00 0.00 H new ATOM 0 HA MET A 394 9.754 -6.226 -8.036 1.00 0.00 H new ATOM 0 HB2 MET A 394 7.871 -6.944 -7.040 1.00 0.00 H new ATOM 0 HB3 MET A 394 8.407 -5.716 -5.911 1.00 0.00 H new ATOM 0 HG2 MET A 394 6.597 -4.381 -6.261 1.00 0.00 H new ATOM 0 HG3 MET A 394 6.467 -4.794 -7.960 1.00 0.00 H new ATOM 0 HE1 MET A 394 4.802 -7.440 -4.516 1.00 0.00 H new ATOM 0 HE2 MET A 394 6.535 -7.378 -4.917 1.00 0.00 H new ATOM 0 HE3 MET A 394 5.718 -5.934 -4.274 1.00 0.00 H new ATOM 886 N THR A 395 8.210 -3.881 -9.714 1.00 0.00 N ATOM 887 CA THR A 395 7.716 -3.567 -11.074 1.00 0.00 C ATOM 888 C THR A 395 8.847 -3.647 -12.108 1.00 0.00 C ATOM 889 O THR A 395 8.649 -4.196 -13.194 1.00 0.00 O ATOM 890 CB THR A 395 6.994 -2.211 -11.212 1.00 0.00 C ATOM 891 OG1 THR A 395 7.835 -1.101 -11.014 1.00 0.00 O ATOM 892 CG2 THR A 395 5.818 -2.046 -10.255 1.00 0.00 C ATOM 0 H THR A 395 8.337 -3.067 -9.113 1.00 0.00 H new ATOM 0 HA THR A 395 6.965 -4.333 -11.267 1.00 0.00 H new ATOM 0 HB THR A 395 6.640 -2.233 -12.243 1.00 0.00 H new ATOM 0 HG1 THR A 395 8.500 -1.313 -10.326 1.00 0.00 H new ATOM 0 HG21 THR A 395 5.358 -1.070 -10.408 1.00 0.00 H new ATOM 0 HG22 THR A 395 5.082 -2.827 -10.445 1.00 0.00 H new ATOM 0 HG23 THR A 395 6.172 -2.123 -9.227 1.00 0.00 H new ATOM 900 N HIS A 396 10.038 -3.131 -11.780 1.00 0.00 N ATOM 901 CA HIS A 396 11.230 -3.160 -12.643 1.00 0.00 C ATOM 902 C HIS A 396 12.005 -4.502 -12.639 1.00 0.00 C ATOM 903 O HIS A 396 12.913 -4.691 -13.454 1.00 0.00 O ATOM 904 CB HIS A 396 12.143 -1.981 -12.267 1.00 0.00 C ATOM 905 CG HIS A 396 11.551 -0.647 -12.660 1.00 0.00 C ATOM 906 ND1 HIS A 396 10.421 -0.069 -12.129 1.00 0.00 N ATOM 907 CD2 HIS A 396 11.976 0.166 -13.677 1.00 0.00 C ATOM 908 CE1 HIS A 396 10.160 1.057 -12.813 1.00 0.00 C ATOM 909 NE2 HIS A 396 11.091 1.250 -13.767 1.00 0.00 N ATOM 0 H HIS A 396 10.206 -2.670 -10.886 1.00 0.00 H new ATOM 0 HA HIS A 396 10.880 -3.062 -13.671 1.00 0.00 H new ATOM 0 HB2 HIS A 396 12.324 -1.993 -11.192 1.00 0.00 H new ATOM 0 HB3 HIS A 396 13.110 -2.104 -12.754 1.00 0.00 H new ATOM 0 HD1 HIS A 396 9.875 -0.434 -11.349 1.00 0.00 H new ATOM 0 HD2 HIS A 396 12.842 0.001 -14.301 1.00 0.00 H new ATOM 0 HE1 HIS A 396 9.323 1.714 -12.625 1.00 0.00 H new ATOM 917 N CYS A 397 11.679 -5.410 -11.713 1.00 0.00 N ATOM 918 CA CYS A 397 12.305 -6.712 -11.485 1.00 0.00 C ATOM 919 C CYS A 397 12.354 -7.615 -12.736 1.00 0.00 C ATOM 920 O CYS A 397 11.530 -7.497 -13.651 1.00 0.00 O ATOM 921 CB CYS A 397 11.531 -7.383 -10.339 1.00 0.00 C ATOM 922 SG CYS A 397 12.530 -8.638 -9.499 1.00 0.00 S ATOM 0 H CYS A 397 10.916 -5.240 -11.058 1.00 0.00 H new ATOM 0 HA CYS A 397 13.353 -6.559 -11.228 1.00 0.00 H new ATOM 0 HB2 CYS A 397 11.218 -6.626 -9.620 1.00 0.00 H new ATOM 0 HB3 CYS A 397 10.625 -7.843 -10.733 1.00 0.00 H new ATOM 0 HG CYS A 397 12.296 -8.595 -8.221 1.00 0.00 H new ATOM 927 N GLN A 398 13.307 -8.554 -12.746 1.00 0.00 N ATOM 928 CA GLN A 398 13.519 -9.530 -13.828 1.00 0.00 C ATOM 929 C GLN A 398 13.574 -10.990 -13.339 1.00 0.00 C ATOM 930 O GLN A 398 14.059 -11.885 -14.039 1.00 0.00 O ATOM 931 CB GLN A 398 14.743 -9.129 -14.678 1.00 0.00 C ATOM 932 CG GLN A 398 14.574 -7.772 -15.384 1.00 0.00 C ATOM 933 CD GLN A 398 15.773 -7.411 -16.264 1.00 0.00 C ATOM 934 OE1 GLN A 398 16.286 -8.207 -17.043 1.00 0.00 O ATOM 935 NE2 GLN A 398 16.274 -6.194 -16.184 1.00 0.00 N ATOM 0 H GLN A 398 13.973 -8.661 -11.981 1.00 0.00 H new ATOM 0 HA GLN A 398 12.640 -9.498 -14.472 1.00 0.00 H new ATOM 0 HB2 GLN A 398 15.625 -9.091 -14.038 1.00 0.00 H new ATOM 0 HB3 GLN A 398 14.926 -9.900 -15.426 1.00 0.00 H new ATOM 0 HG2 GLN A 398 13.673 -7.796 -15.997 1.00 0.00 H new ATOM 0 HG3 GLN A 398 14.430 -6.993 -14.635 1.00 0.00 H new ATOM 0 HE21 GLN A 398 15.864 -5.515 -15.543 1.00 0.00 H new ATOM 0 HE22 GLN A 398 17.072 -5.932 -16.763 1.00 0.00 H new ATOM 944 N ALA A 399 13.030 -11.235 -12.147 1.00 0.00 N ATOM 945 CA ALA A 399 12.896 -12.559 -11.537 1.00 0.00 C ATOM 946 C ALA A 399 11.650 -12.679 -10.657 1.00 0.00 C ATOM 947 O ALA A 399 10.999 -13.723 -10.659 1.00 0.00 O ATOM 948 CB ALA A 399 14.115 -12.855 -10.657 1.00 0.00 C ATOM 0 H ALA A 399 12.657 -10.490 -11.558 1.00 0.00 H new ATOM 0 HA ALA A 399 12.814 -13.269 -12.360 1.00 0.00 H new ATOM 0 HB1 ALA A 399 14.008 -13.842 -10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 399 15.018 -12.831 -11.267 1.00 0.00 H new ATOM 0 HB3 ALA A 399 14.187 -12.103 -9.871 1.00 0.00 H new ATOM 954 N PRO A 400 11.351 -11.623 -9.893 1.00 0.00 N ATOM 955 CA PRO A 400 10.271 -11.512 -8.903 1.00 0.00 C ATOM 956 C PRO A 400 10.300 -12.557 -7.771 1.00 0.00 C ATOM 957 O PRO A 400 10.549 -12.227 -6.613 1.00 0.00 O ATOM 961 N LYS A 401 10.074 -13.831 -8.109 1.00 0.00 N ATOM 962 CA LYS A 401 10.088 -14.999 -7.206 1.00 0.00 C ATOM 963 C LYS A 401 11.514 -15.481 -6.920 1.00 0.00 C ATOM 964 O LYS A 401 11.890 -15.715 -5.774 1.00 0.00 O ATOM 965 CB LYS A 401 9.195 -16.102 -7.807 1.00 0.00 C ATOM 966 CG LYS A 401 8.945 -17.252 -6.818 1.00 0.00 C ATOM 967 CD LYS A 401 7.906 -18.247 -7.363 1.00 0.00 C ATOM 968 CE LYS A 401 7.560 -19.349 -6.350 1.00 0.00 C ATOM 969 NZ LYS A 401 8.685 -20.297 -6.125 1.00 0.00 N ATOM 0 H LYS A 401 9.864 -14.095 -9.072 1.00 0.00 H new ATOM 0 HA LYS A 401 9.681 -14.714 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 401 8.240 -15.670 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 401 9.665 -16.496 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 401 9.881 -17.774 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 401 8.599 -16.847 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 401 6.998 -17.708 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 401 8.289 -18.704 -8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 401 7.282 -18.890 -5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 401 6.690 -19.902 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 8.398 -21.019 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 8.936 -20.758 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 9.509 -19.778 -5.761 1.00 0.00 H new ATOM 983 N ALA A 402 12.312 -15.575 -7.985 1.00 0.00 N ATOM 984 CA ALA A 402 13.731 -15.942 -7.981 1.00 0.00 C ATOM 985 C ALA A 402 14.640 -14.794 -7.481 1.00 0.00 C ATOM 986 O ALA A 402 15.833 -15.003 -7.255 1.00 0.00 O ATOM 987 CB ALA A 402 14.123 -16.503 -9.356 1.00 0.00 C ATOM 0 H ALA A 402 11.967 -15.387 -8.926 1.00 0.00 H new ATOM 0 HA ALA A 402 13.890 -16.737 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 402 15.178 -16.775 -9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 402 13.522 -17.386 -9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 402 13.947 -15.747 -10.121 1.00 0.00 H new ATOM 993 N CYS A 403 14.079 -13.584 -7.312 1.00 0.00 N ATOM 994 CA CYS A 403 14.695 -12.358 -6.817 1.00 0.00 C ATOM 995 C CYS A 403 14.825 -12.417 -5.296 1.00 0.00 C ATOM 996 O CYS A 403 14.311 -11.592 -4.544 1.00 0.00 O ATOM 997 CB CYS A 403 13.944 -11.101 -7.235 1.00 0.00 C ATOM 998 SG CYS A 403 15.037 -9.656 -7.036 1.00 0.00 S ATOM 0 H CYS A 403 13.096 -13.435 -7.541 1.00 0.00 H new ATOM 0 HA CYS A 403 15.684 -12.294 -7.272 1.00 0.00 H new ATOM 0 HB2 CYS A 403 13.618 -11.185 -8.272 1.00 0.00 H new ATOM 0 HB3 CYS A 403 13.047 -10.980 -6.628 1.00 0.00 H new ATOM 0 HG CYS A 403 15.029 -8.952 -8.129 1.00 0.00 H new ATOM 1003 N GLN A 404 15.510 -13.476 -4.896 1.00 0.00 N ATOM 1004 CA GLN A 404 15.966 -13.904 -3.570 1.00 0.00 C ATOM 1005 C GLN A 404 16.417 -12.771 -2.622 1.00 0.00 C ATOM 1006 O GLN A 404 16.603 -13.032 -1.430 1.00 0.00 O ATOM 1007 CB GLN A 404 17.042 -14.993 -3.730 1.00 0.00 C ATOM 1008 CG GLN A 404 18.348 -14.481 -4.365 1.00 0.00 C ATOM 1009 CD GLN A 404 19.326 -15.623 -4.634 1.00 0.00 C ATOM 1010 OE1 GLN A 404 19.932 -16.191 -3.732 1.00 0.00 O ATOM 1011 NE2 GLN A 404 19.521 -16.012 -5.878 1.00 0.00 N ATOM 0 H GLN A 404 15.805 -14.159 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 404 15.092 -14.313 -3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 404 17.266 -15.417 -2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 404 16.642 -15.800 -4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 404 18.122 -13.967 -5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 404 18.813 -13.751 -3.703 1.00 0.00 H new ATOM 0 HE21 GLN A 404 19.025 -15.550 -6.640 1.00 0.00 H new ATOM 0 HE22 GLN A 404 20.168 -16.775 -6.078 1.00 0.00 H new ATOM 1020 N VAL A 405 16.558 -11.527 -3.112 1.00 0.00 N ATOM 1021 CA VAL A 405 16.792 -10.337 -2.277 1.00 0.00 C ATOM 1022 C VAL A 405 15.658 -10.298 -1.248 1.00 0.00 C ATOM 1023 O VAL A 405 14.491 -10.249 -1.632 1.00 0.00 O ATOM 1024 CB VAL A 405 16.772 -9.039 -3.109 1.00 0.00 C ATOM 1025 CG1 VAL A 405 17.133 -7.835 -2.229 1.00 0.00 C ATOM 1026 CG2 VAL A 405 17.762 -9.082 -4.274 1.00 0.00 C ATOM 0 H VAL A 405 16.512 -11.318 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 405 17.774 -10.401 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 405 15.761 -8.943 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 405 17.115 -6.926 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 405 16.410 -7.748 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 405 18.131 -7.975 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 405 17.711 -8.146 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 405 18.772 -9.220 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 405 17.510 -9.911 -4.935 1.00 0.00 H new ATOM 1036 N ALA A 406 15.988 -10.383 0.042 1.00 0.00 N ATOM 1037 CA ALA A 406 15.039 -10.511 1.153 1.00 0.00 C ATOM 1038 C ALA A 406 13.711 -9.747 0.985 1.00 0.00 C ATOM 1039 O ALA A 406 12.633 -10.354 0.967 1.00 0.00 O ATOM 1040 CB ALA A 406 15.773 -10.110 2.436 1.00 0.00 C ATOM 0 H ALA A 406 16.959 -10.364 0.355 1.00 0.00 H new ATOM 0 HA ALA A 406 14.713 -11.551 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 406 15.094 -10.194 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 406 16.627 -10.770 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 406 16.121 -9.081 2.350 1.00 0.00 H new ATOM 1046 N HIS A 407 13.799 -8.423 0.834 1.00 0.00 N ATOM 1047 CA HIS A 407 12.630 -7.561 0.669 1.00 0.00 C ATOM 1048 C HIS A 407 11.799 -7.896 -0.578 1.00 0.00 C ATOM 1049 O HIS A 407 10.580 -8.000 -0.460 1.00 0.00 O ATOM 1050 CB HIS A 407 13.034 -6.076 0.707 1.00 0.00 C ATOM 1051 CG HIS A 407 13.965 -5.597 -0.388 1.00 0.00 C ATOM 1052 ND1 HIS A 407 13.657 -5.402 -1.719 1.00 0.00 N ATOM 1053 CD2 HIS A 407 15.257 -5.177 -0.220 1.00 0.00 C ATOM 1054 CE1 HIS A 407 14.738 -4.901 -2.338 1.00 0.00 C ATOM 1055 NE2 HIS A 407 15.743 -4.740 -1.460 1.00 0.00 N ATOM 0 H HIS A 407 14.686 -7.919 0.823 1.00 0.00 H new ATOM 0 HA HIS A 407 11.975 -7.758 1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 407 12.126 -5.475 0.669 1.00 0.00 H new ATOM 0 HB3 HIS A 407 13.508 -5.877 1.668 1.00 0.00 H new ATOM 0 HD2 HIS A 407 15.808 -5.182 0.709 1.00 0.00 H new ATOM 0 HE1 HIS A 407 14.792 -4.662 -3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 407 16.674 -4.373 -1.657 1.00 0.00 H new ATOM 1063 N CYS A 408 12.420 -8.088 -1.749 1.00 0.00 N ATOM 1064 CA CYS A 408 11.709 -8.367 -3.000 1.00 0.00 C ATOM 1065 C CYS A 408 11.088 -9.775 -3.020 1.00 0.00 C ATOM 1066 O CYS A 408 9.890 -9.906 -3.290 1.00 0.00 O ATOM 1067 CB CYS A 408 12.674 -8.170 -4.179 1.00 0.00 C ATOM 1068 SG CYS A 408 11.792 -8.370 -5.760 1.00 0.00 S ATOM 0 H CYS A 408 13.434 -8.054 -1.854 1.00 0.00 H new ATOM 0 HA CYS A 408 10.877 -7.668 -3.086 1.00 0.00 H new ATOM 0 HB2 CYS A 408 13.123 -7.178 -4.128 1.00 0.00 H new ATOM 0 HB3 CYS A 408 13.488 -8.892 -4.115 1.00 0.00 H new ATOM 0 HG CYS A 408 11.884 -7.272 -6.450 1.00 0.00 H new ATOM 1073 N ALA A 409 11.861 -10.811 -2.673 1.00 0.00 N ATOM 1074 CA ALA A 409 11.364 -12.186 -2.588 1.00 0.00 C ATOM 1075 C ALA A 409 10.160 -12.257 -1.630 1.00 0.00 C ATOM 1076 O ALA A 409 9.129 -12.857 -1.963 1.00 0.00 O ATOM 1077 CB ALA A 409 12.499 -13.126 -2.162 1.00 0.00 C ATOM 0 H ALA A 409 12.850 -10.717 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 409 11.017 -12.512 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 409 12.122 -14.147 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 409 13.304 -13.080 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 409 12.878 -12.820 -1.187 1.00 0.00 H new ATOM 1083 N SER A 410 10.255 -11.600 -0.464 1.00 0.00 N ATOM 1084 CA SER A 410 9.122 -11.508 0.463 1.00 0.00 C ATOM 1085 C SER A 410 7.958 -10.773 -0.204 1.00 0.00 C ATOM 1086 O SER A 410 6.864 -11.327 -0.282 1.00 0.00 O ATOM 1087 CB SER A 410 9.497 -10.790 1.765 1.00 0.00 C ATOM 1088 OG SER A 410 10.501 -11.501 2.466 1.00 0.00 O ATOM 0 H SER A 410 11.101 -11.128 -0.144 1.00 0.00 H new ATOM 0 HA SER A 410 8.828 -12.527 0.715 1.00 0.00 H new ATOM 0 HB2 SER A 410 9.849 -9.783 1.541 1.00 0.00 H new ATOM 0 HB3 SER A 410 8.613 -10.686 2.395 1.00 0.00 H new ATOM 0 HG SER A 410 11.380 -11.274 2.098 1.00 0.00 H new ATOM 1094 N SER A 411 8.190 -9.561 -0.730 1.00 0.00 N ATOM 1095 CA SER A 411 7.178 -8.723 -1.390 1.00 0.00 C ATOM 1096 C SER A 411 6.351 -9.483 -2.423 1.00 0.00 C ATOM 1097 O SER A 411 5.122 -9.437 -2.385 1.00 0.00 O ATOM 1098 CB SER A 411 7.821 -7.464 -2.017 1.00 0.00 C ATOM 1099 OG SER A 411 8.333 -7.648 -3.320 1.00 0.00 O ATOM 0 H SER A 411 9.112 -9.125 -0.707 1.00 0.00 H new ATOM 0 HA SER A 411 6.485 -8.410 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 411 7.077 -6.668 -2.043 1.00 0.00 H new ATOM 0 HB3 SER A 411 8.629 -7.124 -1.369 1.00 0.00 H new ATOM 0 HG SER A 411 8.884 -8.458 -3.344 1.00 0.00 H new ATOM 1105 N ARG A 412 7.005 -10.224 -3.322 1.00 0.00 N ATOM 1106 CA ARG A 412 6.327 -10.998 -4.359 1.00 0.00 C ATOM 1107 C ARG A 412 5.650 -12.239 -3.797 1.00 0.00 C ATOM 1108 O ARG A 412 4.583 -12.571 -4.298 1.00 0.00 O ATOM 1109 CB ARG A 412 7.288 -11.311 -5.513 1.00 0.00 C ATOM 1110 CG ARG A 412 7.503 -10.068 -6.402 1.00 0.00 C ATOM 1111 CD ARG A 412 6.326 -9.756 -7.342 1.00 0.00 C ATOM 1112 NE ARG A 412 6.209 -10.736 -8.442 1.00 0.00 N ATOM 1113 CZ ARG A 412 6.629 -10.597 -9.688 1.00 0.00 C ATOM 1114 NH1 ARG A 412 7.260 -9.534 -10.105 1.00 0.00 N ATOM 1115 NH2 ARG A 412 6.428 -11.546 -10.554 1.00 0.00 N ATOM 0 H ARG A 412 8.022 -10.302 -3.349 1.00 0.00 H new ATOM 0 HA ARG A 412 5.522 -10.387 -4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 412 8.245 -11.648 -5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 412 6.888 -12.128 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 412 7.682 -9.204 -5.762 1.00 0.00 H new ATOM 0 HG3 ARG A 412 8.403 -10.214 -7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 412 5.399 -9.745 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 412 6.453 -8.758 -7.760 1.00 0.00 H new ATOM 0 HE ARG A 412 5.753 -11.619 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 412 7.448 -8.766 -9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 412 7.566 -9.470 -11.076 1.00 0.00 H new ATOM 0 HH21 ARG A 412 5.946 -12.399 -10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 412 6.753 -11.437 -11.515 1.00 0.00 H new ATOM 1129 N GLN A 413 6.169 -12.889 -2.749 1.00 0.00 N ATOM 1130 CA GLN A 413 5.436 -14.001 -2.116 1.00 0.00 C ATOM 1131 C GLN A 413 4.105 -13.517 -1.502 1.00 0.00 C ATOM 1132 O GLN A 413 3.051 -14.090 -1.801 1.00 0.00 O ATOM 1133 CB GLN A 413 6.313 -14.703 -1.070 1.00 0.00 C ATOM 1134 CG GLN A 413 7.317 -15.647 -1.746 1.00 0.00 C ATOM 1135 CD GLN A 413 8.347 -16.175 -0.753 1.00 0.00 C ATOM 1136 OE1 GLN A 413 8.233 -17.264 -0.204 1.00 0.00 O ATOM 1137 NE2 GLN A 413 9.383 -15.413 -0.485 1.00 0.00 N ATOM 0 H GLN A 413 7.072 -12.674 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 413 5.190 -14.728 -2.890 1.00 0.00 H new ATOM 0 HB2 GLN A 413 6.847 -13.959 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 413 5.684 -15.267 -0.381 1.00 0.00 H new ATOM 0 HG2 GLN A 413 6.784 -16.484 -2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 413 7.826 -15.120 -2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 413 9.480 -14.506 -0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 413 10.090 -15.729 0.179 1.00 0.00 H new ATOM 1146 N ILE A 414 4.115 -12.427 -0.717 1.00 0.00 N ATOM 1147 CA ILE A 414 2.872 -11.846 -0.171 1.00 0.00 C ATOM 1148 C ILE A 414 1.893 -11.344 -1.233 1.00 0.00 C ATOM 1149 O ILE A 414 0.692 -11.616 -1.151 1.00 0.00 O ATOM 1150 CB ILE A 414 3.064 -10.813 0.971 1.00 0.00 C ATOM 1151 CG1 ILE A 414 4.330 -9.938 1.048 1.00 0.00 C ATOM 1152 CG2 ILE A 414 2.586 -11.396 2.310 1.00 0.00 C ATOM 1153 CD1 ILE A 414 5.356 -10.400 2.096 1.00 0.00 C ATOM 0 H ILE A 414 4.964 -11.931 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 414 2.404 -12.710 0.301 1.00 0.00 H new ATOM 0 HB ILE A 414 2.407 -10.002 0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 414 4.809 -9.925 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 414 4.036 -8.913 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 414 2.728 -10.658 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 414 1.529 -11.652 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 414 3.161 -12.292 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 414 6.215 -9.730 2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 414 4.898 -10.385 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.683 -11.413 1.863 1.00 0.00 H new ATOM 1165 N ILE A 415 2.385 -10.637 -2.246 1.00 0.00 N ATOM 1166 CA ILE A 415 1.522 -10.134 -3.322 1.00 0.00 C ATOM 1167 C ILE A 415 1.034 -11.254 -4.257 1.00 0.00 C ATOM 1168 O ILE A 415 -0.103 -11.196 -4.716 1.00 0.00 O ATOM 1169 CB ILE A 415 2.176 -8.904 -3.980 1.00 0.00 C ATOM 1170 CG1 ILE A 415 1.600 -7.644 -3.287 1.00 0.00 C ATOM 1171 CG2 ILE A 415 2.022 -8.899 -5.505 1.00 0.00 C ATOM 1172 CD1 ILE A 415 2.068 -6.299 -3.853 1.00 0.00 C ATOM 0 H ILE A 415 3.371 -10.398 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 415 0.581 -9.765 -2.913 1.00 0.00 H new ATOM 0 HB ILE A 415 3.256 -8.926 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.512 -7.684 -3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 415 1.861 -7.683 -2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 415 2.501 -8.010 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 415 2.492 -9.790 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 415 0.963 -8.893 -5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 415 1.603 -5.487 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 415 3.152 -6.225 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.782 -6.227 -4.902 1.00 0.00 H new ATOM 1184 N SER A 416 1.816 -12.309 -4.490 1.00 0.00 N ATOM 1185 CA SER A 416 1.380 -13.480 -5.264 1.00 0.00 C ATOM 1186 C SER A 416 0.261 -14.209 -4.517 1.00 0.00 C ATOM 1187 O SER A 416 -0.749 -14.560 -5.135 1.00 0.00 O ATOM 1188 CB SER A 416 2.540 -14.413 -5.576 1.00 0.00 C ATOM 1189 OG SER A 416 2.103 -15.525 -6.338 1.00 0.00 O ATOM 0 H SER A 416 2.774 -12.379 -4.147 1.00 0.00 H new ATOM 0 HA SER A 416 0.992 -13.133 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 416 3.310 -13.871 -6.125 1.00 0.00 H new ATOM 0 HB3 SER A 416 2.994 -14.759 -4.647 1.00 0.00 H new ATOM 0 HG SER A 416 2.865 -16.111 -6.528 1.00 0.00 H new ATOM 1195 N HIS A 417 0.371 -14.348 -3.182 1.00 0.00 N ATOM 1196 CA HIS A 417 -0.742 -14.856 -2.373 1.00 0.00 C ATOM 1197 C HIS A 417 -1.970 -13.965 -2.621 1.00 0.00 C ATOM 1198 O HIS A 417 -3.009 -14.471 -3.033 1.00 0.00 O ATOM 1199 CB HIS A 417 -0.402 -14.914 -0.866 1.00 0.00 C ATOM 1200 CG HIS A 417 -1.654 -14.945 -0.008 1.00 0.00 C ATOM 1201 ND1 HIS A 417 -2.528 -16.005 0.107 1.00 0.00 N ATOM 1202 CD2 HIS A 417 -2.313 -13.838 0.471 1.00 0.00 C ATOM 1203 CE1 HIS A 417 -3.694 -15.542 0.592 1.00 0.00 C ATOM 1204 NE2 HIS A 417 -3.619 -14.217 0.805 1.00 0.00 N ATOM 0 H HIS A 417 1.210 -14.118 -2.650 1.00 0.00 H new ATOM 0 HA HIS A 417 -0.950 -15.882 -2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 417 0.200 -15.799 -0.663 1.00 0.00 H new ATOM 0 HB3 HIS A 417 0.203 -14.048 -0.596 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -1.896 -12.847 0.572 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -4.567 -16.149 0.783 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -4.365 -13.609 1.143 1.00 0.00 H new ATOM 1212 N TRP A 418 -1.843 -12.645 -2.424 1.00 0.00 N ATOM 1213 CA TRP A 418 -2.943 -11.690 -2.615 1.00 0.00 C ATOM 1214 C TRP A 418 -3.589 -11.766 -4.008 1.00 0.00 C ATOM 1215 O TRP A 418 -4.809 -11.631 -4.132 1.00 0.00 O ATOM 1216 CB TRP A 418 -2.446 -10.273 -2.306 1.00 0.00 C ATOM 1217 CG TRP A 418 -3.524 -9.274 -2.020 1.00 0.00 C ATOM 1218 CD1 TRP A 418 -4.337 -9.294 -0.939 1.00 0.00 C ATOM 1219 CD2 TRP A 418 -3.924 -8.103 -2.798 1.00 0.00 C ATOM 1220 NE1 TRP A 418 -5.202 -8.220 -0.986 1.00 0.00 N ATOM 1221 CE2 TRP A 418 -4.993 -7.450 -2.110 1.00 0.00 C ATOM 1222 CE3 TRP A 418 -3.499 -7.528 -4.018 1.00 0.00 C ATOM 1223 CZ2 TRP A 418 -5.602 -6.286 -2.600 1.00 0.00 C ATOM 1224 CZ3 TRP A 418 -4.111 -6.363 -4.523 1.00 0.00 C ATOM 1225 CH2 TRP A 418 -5.156 -5.740 -3.816 1.00 0.00 C ATOM 0 H TRP A 418 -0.971 -12.208 -2.126 1.00 0.00 H new ATOM 0 HA TRP A 418 -3.735 -11.963 -1.918 1.00 0.00 H new ATOM 0 HB2 TRP A 418 -1.776 -10.318 -1.448 1.00 0.00 H new ATOM 0 HB3 TRP A 418 -1.857 -9.918 -3.152 1.00 0.00 H new ATOM 0 HD1 TRP A 418 -4.313 -10.038 -0.157 1.00 0.00 H new ATOM 0 HE1 TRP A 418 -5.908 -8.021 -0.277 1.00 0.00 H new ATOM 0 HE3 TRP A 418 -2.694 -7.988 -4.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 418 -6.403 -5.815 -2.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 418 -3.775 -5.945 -5.460 1.00 0.00 H new ATOM 0 HH2 TRP A 418 -5.615 -4.844 -4.207 1.00 0.00 H new ATOM 1236 N LYS A 419 -2.797 -12.009 -5.062 1.00 0.00 N ATOM 1237 CA LYS A 419 -3.272 -12.176 -6.448 1.00 0.00 C ATOM 1238 C LYS A 419 -4.072 -13.472 -6.646 1.00 0.00 C ATOM 1239 O LYS A 419 -5.101 -13.457 -7.322 1.00 0.00 O ATOM 1240 CB LYS A 419 -2.066 -12.160 -7.402 1.00 0.00 C ATOM 1241 CG LYS A 419 -1.533 -10.742 -7.651 1.00 0.00 C ATOM 1242 CD LYS A 419 -0.166 -10.805 -8.352 1.00 0.00 C ATOM 1243 CE LYS A 419 0.411 -9.418 -8.651 1.00 0.00 C ATOM 1244 NZ LYS A 419 -0.380 -8.675 -9.669 1.00 0.00 N ATOM 0 H LYS A 419 -1.785 -12.097 -4.975 1.00 0.00 H new ATOM 0 HA LYS A 419 -3.946 -11.348 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -1.269 -12.776 -6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -2.353 -12.609 -8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -2.239 -10.183 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -1.441 -10.209 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 419 0.534 -11.357 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -0.266 -11.361 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 419 0.446 -8.837 -7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 419 1.438 -9.524 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 0.082 -7.765 -9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -0.436 -9.236 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -1.339 -8.503 -9.306 1.00 0.00 H new ATOM 1258 N ASN A 420 -3.606 -14.586 -6.074 1.00 0.00 N ATOM 1259 CA ASN A 420 -4.254 -15.903 -6.182 1.00 0.00 C ATOM 1260 C ASN A 420 -5.456 -16.098 -5.231 1.00 0.00 C ATOM 1261 O ASN A 420 -6.348 -16.901 -5.522 1.00 0.00 O ATOM 1262 CB ASN A 420 -3.195 -16.994 -5.926 1.00 0.00 C ATOM 1263 CG ASN A 420 -2.272 -17.202 -7.116 1.00 0.00 C ATOM 1264 OD1 ASN A 420 -2.521 -18.025 -7.988 1.00 0.00 O ATOM 1265 ND2 ASN A 420 -1.183 -16.474 -7.202 1.00 0.00 N ATOM 0 H ASN A 420 -2.754 -14.602 -5.513 1.00 0.00 H new ATOM 0 HA ASN A 420 -4.665 -15.975 -7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.601 -16.722 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.696 -17.933 -5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -0.549 -16.595 -7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -0.970 -15.787 -6.479 1.00 0.00 H new ATOM 1272 N CYS A 421 -5.463 -15.409 -4.087 1.00 0.00 N ATOM 1273 CA CYS A 421 -6.460 -15.509 -3.027 1.00 0.00 C ATOM 1274 C CYS A 421 -7.905 -15.183 -3.460 1.00 0.00 C ATOM 1275 O CYS A 421 -8.160 -14.347 -4.331 1.00 0.00 O ATOM 1276 CB CYS A 421 -5.996 -14.604 -1.875 1.00 0.00 C ATOM 1277 SG CYS A 421 -6.907 -14.936 -0.341 1.00 0.00 S ATOM 0 H CYS A 421 -4.733 -14.731 -3.867 1.00 0.00 H new ATOM 0 HA CYS A 421 -6.519 -16.552 -2.718 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -4.930 -14.753 -1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -6.130 -13.560 -2.158 1.00 0.00 H new ATOM 0 HG CYS A 421 -6.559 -16.098 0.127 1.00 0.00 H new ATOM 1282 N THR A 422 -8.854 -15.807 -2.763 1.00 0.00 N ATOM 1283 CA THR A 422 -10.314 -15.625 -2.877 1.00 0.00 C ATOM 1284 C THR A 422 -10.845 -14.720 -1.747 1.00 0.00 C ATOM 1285 O THR A 422 -11.979 -14.881 -1.299 1.00 0.00 O ATOM 1286 CB THR A 422 -11.023 -16.994 -2.913 1.00 0.00 C ATOM 1287 OG1 THR A 422 -10.672 -17.786 -1.792 1.00 0.00 O ATOM 1288 CG2 THR A 422 -10.629 -17.787 -4.163 1.00 0.00 C ATOM 0 H THR A 422 -8.615 -16.501 -2.055 1.00 0.00 H new ATOM 0 HA THR A 422 -10.535 -15.118 -3.816 1.00 0.00 H new ATOM 0 HB THR A 422 -12.093 -16.784 -2.911 1.00 0.00 H new ATOM 0 HG1 THR A 422 -11.138 -18.647 -1.841 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.144 -18.748 -4.162 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.911 -17.226 -5.054 1.00 0.00 H new ATOM 0 HG23 THR A 422 -9.552 -17.953 -4.164 1.00 0.00 H new ATOM 1296 N ARG A 423 -9.980 -13.780 -1.323 1.00 0.00 N ATOM 1297 CA ARG A 423 -9.922 -12.724 -0.276 1.00 0.00 C ATOM 1298 C ARG A 423 -11.060 -12.460 0.729 1.00 0.00 C ATOM 1299 O ARG A 423 -10.810 -11.816 1.745 1.00 0.00 O ATOM 1300 CB ARG A 423 -9.677 -11.404 -1.035 1.00 0.00 C ATOM 1301 CG ARG A 423 -8.374 -11.360 -1.854 1.00 0.00 C ATOM 1302 CD ARG A 423 -8.228 -9.996 -2.536 1.00 0.00 C ATOM 1303 NE ARG A 423 -7.147 -10.010 -3.536 1.00 0.00 N ATOM 1304 CZ ARG A 423 -6.940 -9.129 -4.495 1.00 0.00 C ATOM 1305 NH1 ARG A 423 -7.667 -8.056 -4.641 1.00 0.00 N ATOM 1306 NH2 ARG A 423 -5.980 -9.336 -5.344 1.00 0.00 N ATOM 0 H ARG A 423 -9.096 -13.736 -1.830 1.00 0.00 H new ATOM 0 HA ARG A 423 -9.158 -13.116 0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -10.517 -11.226 -1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -9.665 -10.585 -0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -7.519 -11.543 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -8.379 -12.152 -2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -9.168 -9.725 -3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -8.022 -9.232 -1.786 1.00 0.00 H new ATOM 0 HE ARG A 423 -6.487 -10.785 -3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -8.435 -7.869 -3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -7.467 -7.404 -5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -5.399 -10.170 -5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -5.807 -8.664 -6.092 1.00 0.00 H new ATOM 1320 N HIS A 424 -12.289 -12.904 0.508 1.00 0.00 N ATOM 1321 CA HIS A 424 -13.457 -12.687 1.366 1.00 0.00 C ATOM 1322 C HIS A 424 -13.354 -13.244 2.804 1.00 0.00 C ATOM 1323 O HIS A 424 -14.227 -12.956 3.623 1.00 0.00 O ATOM 1324 CB HIS A 424 -14.697 -13.246 0.649 1.00 0.00 C ATOM 1325 CG HIS A 424 -14.892 -12.638 -0.718 1.00 0.00 C ATOM 1326 ND1 HIS A 424 -14.407 -13.133 -1.909 1.00 0.00 N ATOM 1327 CD2 HIS A 424 -15.474 -11.429 -0.990 1.00 0.00 C ATOM 1328 CE1 HIS A 424 -14.681 -12.242 -2.876 1.00 0.00 C ATOM 1329 NE2 HIS A 424 -15.325 -11.176 -2.361 1.00 0.00 N ATOM 0 H HIS A 424 -12.516 -13.456 -0.319 1.00 0.00 H new ATOM 0 HA HIS A 424 -13.528 -11.610 1.516 1.00 0.00 H new ATOM 0 HB2 HIS A 424 -14.601 -14.328 0.553 1.00 0.00 H new ATOM 0 HB3 HIS A 424 -15.581 -13.057 1.257 1.00 0.00 H new ATOM 0 HD1 HIS A 424 -13.923 -14.022 -2.035 1.00 0.00 H new ATOM 0 HD2 HIS A 424 -15.962 -10.784 -0.274 1.00 0.00 H new ATOM 0 HE1 HIS A 424 -14.422 -12.363 -3.918 1.00 0.00 H new ATOM 1337 N ASP A 425 -12.332 -14.047 3.120 1.00 0.00 N ATOM 1338 CA ASP A 425 -12.146 -14.685 4.431 1.00 0.00 C ATOM 1339 C ASP A 425 -10.675 -15.020 4.782 1.00 0.00 C ATOM 1340 O ASP A 425 -10.386 -16.127 5.247 1.00 0.00 O ATOM 1341 CB ASP A 425 -13.095 -15.899 4.552 1.00 0.00 C ATOM 1342 CG ASP A 425 -12.724 -17.126 3.690 1.00 0.00 C ATOM 1343 OD1 ASP A 425 -12.286 -16.973 2.523 1.00 0.00 O ATOM 1344 OD2 ASP A 425 -12.929 -18.271 4.165 1.00 0.00 O ATOM 0 H ASP A 425 -11.593 -14.278 2.456 1.00 0.00 H new ATOM 0 HA ASP A 425 -12.416 -13.951 5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 425 -13.128 -16.208 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 425 -14.101 -15.579 4.282 1.00 0.00 H new ATOM 1349 N CYS A 426 -9.736 -14.078 4.580 1.00 0.00 N ATOM 1350 CA CYS A 426 -8.302 -14.298 4.853 1.00 0.00 C ATOM 1351 C CYS A 426 -7.816 -13.375 6.004 1.00 0.00 C ATOM 1352 O CYS A 426 -8.361 -12.277 6.140 1.00 0.00 O ATOM 1353 CB CYS A 426 -7.594 -14.051 3.520 1.00 0.00 C ATOM 1354 SG CYS A 426 -6.074 -15.020 3.307 1.00 0.00 S ATOM 0 H CYS A 426 -9.948 -13.146 4.224 1.00 0.00 H new ATOM 0 HA CYS A 426 -8.084 -15.306 5.205 1.00 0.00 H new ATOM 0 HB2 CYS A 426 -8.280 -14.285 2.706 1.00 0.00 H new ATOM 0 HB3 CYS A 426 -7.353 -12.991 3.438 1.00 0.00 H new ATOM 0 HG CYS A 426 -5.932 -15.335 2.054 1.00 0.00 H new ATOM 1359 N PRO A 427 -6.818 -13.743 6.840 1.00 0.00 N ATOM 1360 CA PRO A 427 -6.389 -12.947 8.002 1.00 0.00 C ATOM 1361 C PRO A 427 -5.636 -11.646 7.664 1.00 0.00 C ATOM 1362 O PRO A 427 -5.161 -10.956 8.567 1.00 0.00 O ATOM 1363 CB PRO A 427 -5.562 -13.907 8.865 1.00 0.00 C ATOM 1364 CG PRO A 427 -4.947 -14.853 7.843 1.00 0.00 C ATOM 1365 CD PRO A 427 -6.024 -14.959 6.765 1.00 0.00 C ATOM 0 HA PRO A 427 -7.262 -12.565 8.530 1.00 0.00 H new ATOM 0 HB2 PRO A 427 -4.798 -13.379 9.435 1.00 0.00 H new ATOM 0 HB3 PRO A 427 -6.185 -14.440 9.584 1.00 0.00 H new ATOM 0 HG2 PRO A 427 -4.014 -14.459 7.441 1.00 0.00 H new ATOM 0 HG3 PRO A 427 -4.720 -15.825 8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 427 -5.573 -15.066 5.778 1.00 0.00 H new ATOM 0 HD3 PRO A 427 -6.648 -15.838 6.927 1.00 0.00 H new ATOM 1373 N VAL A 428 -5.533 -11.304 6.375 1.00 0.00 N ATOM 1374 CA VAL A 428 -4.893 -10.090 5.844 1.00 0.00 C ATOM 1375 C VAL A 428 -5.811 -9.404 4.823 1.00 0.00 C ATOM 1376 O VAL A 428 -6.036 -8.191 4.896 1.00 0.00 O ATOM 1377 CB VAL A 428 -3.530 -10.430 5.222 1.00 0.00 C ATOM 1378 CG1 VAL A 428 -2.805 -9.120 4.893 1.00 0.00 C ATOM 1379 CG2 VAL A 428 -2.671 -11.273 6.170 1.00 0.00 C ATOM 0 H VAL A 428 -5.912 -11.894 5.635 1.00 0.00 H new ATOM 0 HA VAL A 428 -4.724 -9.395 6.666 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.694 -11.017 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -1.834 -9.343 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -3.401 -8.541 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -2.663 -8.543 5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -1.715 -11.494 5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -2.499 -10.720 7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -3.187 -12.206 6.396 1.00 0.00 H new ATOM 1389 N CYS A 429 -6.422 -10.190 3.934 1.00 0.00 N ATOM 1390 CA CYS A 429 -7.429 -9.730 2.988 1.00 0.00 C ATOM 1391 C CYS A 429 -8.713 -9.193 3.639 1.00 0.00 C ATOM 1392 O CYS A 429 -9.142 -8.111 3.250 1.00 0.00 O ATOM 1393 CB CYS A 429 -7.689 -10.782 1.904 1.00 0.00 C ATOM 1394 SG CYS A 429 -6.211 -11.796 1.538 1.00 0.00 S ATOM 0 H CYS A 429 -6.222 -11.187 3.854 1.00 0.00 H new ATOM 0 HA CYS A 429 -7.008 -8.853 2.496 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -8.502 -11.434 2.223 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -8.019 -10.285 0.992 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.564 -12.852 0.867 1.00 0.00 H new ATOM 1399 N LEU A 430 -9.304 -9.861 4.645 1.00 0.00 N ATOM 1400 CA LEU A 430 -10.470 -9.321 5.359 1.00 0.00 C ATOM 1401 C LEU A 430 -10.137 -7.956 6.008 1.00 0.00 C ATOM 1402 O LEU A 430 -10.840 -6.983 5.721 1.00 0.00 O ATOM 1403 CB LEU A 430 -11.067 -10.330 6.358 1.00 0.00 C ATOM 1404 CG LEU A 430 -12.283 -11.128 5.860 1.00 0.00 C ATOM 1405 CD1 LEU A 430 -12.725 -12.075 6.979 1.00 0.00 C ATOM 1406 CD2 LEU A 430 -13.485 -10.242 5.516 1.00 0.00 C ATOM 0 H LEU A 430 -8.993 -10.773 4.980 1.00 0.00 H new ATOM 0 HA LEU A 430 -11.254 -9.144 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -10.286 -11.035 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -11.355 -9.791 7.261 1.00 0.00 H new ATOM 0 HG LEU A 430 -11.975 -11.650 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -13.588 -12.652 6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -11.908 -12.753 7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -12.994 -11.495 7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -14.310 -10.866 5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -13.795 -9.689 6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -13.207 -9.541 4.729 1.00 0.00 H new ATOM 1418 N PRO A 431 -9.055 -7.824 6.811 1.00 0.00 N ATOM 1419 CA PRO A 431 -8.584 -6.531 7.310 1.00 0.00 C ATOM 1420 C PRO A 431 -8.496 -5.448 6.229 1.00 0.00 C ATOM 1421 O PRO A 431 -9.072 -4.379 6.396 1.00 0.00 O ATOM 1422 CB PRO A 431 -7.185 -6.803 7.852 1.00 0.00 C ATOM 1423 CG PRO A 431 -7.290 -8.229 8.366 1.00 0.00 C ATOM 1424 CD PRO A 431 -8.173 -8.879 7.303 1.00 0.00 C ATOM 0 HA PRO A 431 -9.286 -6.150 8.052 1.00 0.00 H new ATOM 0 HB2 PRO A 431 -6.426 -6.709 7.076 1.00 0.00 H new ATOM 0 HB3 PRO A 431 -6.917 -6.106 8.646 1.00 0.00 H new ATOM 0 HG2 PRO A 431 -6.315 -8.711 8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 431 -7.742 -8.274 9.357 1.00 0.00 H new ATOM 0 HD2 PRO A 431 -7.570 -9.292 6.494 1.00 0.00 H new ATOM 0 HD3 PRO A 431 -8.748 -9.703 7.725 1.00 0.00 H new ATOM 1432 N LEU A 432 -7.799 -5.713 5.116 1.00 0.00 N ATOM 1433 CA LEU A 432 -7.658 -4.753 4.005 1.00 0.00 C ATOM 1434 C LEU A 432 -8.991 -4.401 3.348 1.00 0.00 C ATOM 1435 O LEU A 432 -9.210 -3.257 2.945 1.00 0.00 O ATOM 1436 CB LEU A 432 -6.720 -5.329 2.939 1.00 0.00 C ATOM 1437 CG LEU A 432 -5.274 -4.914 3.255 1.00 0.00 C ATOM 1438 CD1 LEU A 432 -4.306 -5.944 2.679 1.00 0.00 C ATOM 1439 CD2 LEU A 432 -4.948 -3.537 2.670 1.00 0.00 C ATOM 0 H LEU A 432 -7.316 -6.597 4.957 1.00 0.00 H new ATOM 0 HA LEU A 432 -7.249 -3.838 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -6.802 -6.416 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -7.007 -4.967 1.952 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.169 -4.863 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -3.282 -5.647 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -4.507 -6.920 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -4.437 -6.002 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -3.918 -3.274 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -5.072 -3.563 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -5.622 -2.793 3.094 1.00 0.00 H new