USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 596 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 NoAdj-H: A 452 HIS HE2 : A 452 HIS NE2 : A 489 ZNZN :(H bumps) USER MOD NoAdj-H: A 455 HIS HD1 : A 455 HIS ND1 : A 488 ZNZN :(H bumps) USER MOD NoAdj-H: A 481 HIS HD1 : A 481 HIS ND1 : A 489 ZNZN :(H bumps) USER MOD Set 1.1: A 468 HIS : no HE2:sc= -2.18! X(o=-3.5!,f=-3.5) USER MOD Set 1.2: A 474 ASN : amide:sc= -1.36 X(o=-3.5,f=-3.5) USER MOD Set 2.1: A 445 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 447 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 420 CYS SG : rot 41:sc= -4.22 USER MOD Set 3.2: A 459 MET CE :methyl -133:sc= -2.37 (180deg=-1.23) USER MOD Single : A 410 SER OG : rot 49:sc= 0.782 USER MOD Single : A 415 TYR OH : rot -111:sc= 0.185 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 429 THR OG1 : rot -27:sc= 0.693 USER MOD Single : A 434 TYR OH : rot 180:sc= -0.989 USER MOD Single : A 435 SER OG : rot 85:sc= 0.161 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 439 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.042) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -162:sc= -9.33! (180deg=-11.5!) USER MOD Single : A 448 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 457 GLN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 465 THR OG1 : rot 180:sc= -0.695 USER MOD Single : A 470 SER OG : rot -40:sc= 0.345 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 475 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.132) USER MOD Single : A 476 TYR OH : rot 130:sc= -4.42! USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 479 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 483 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 406 44.123 -7.953 5.598 1.00 0.00 N ATOM 2 CA GLY A 406 44.724 -8.873 4.591 1.00 0.00 C ATOM 3 C GLY A 406 44.455 -10.324 4.999 1.00 0.00 C ATOM 4 O GLY A 406 43.740 -10.576 5.949 1.00 0.00 O ATOM 0 HA2 GLY A 406 44.301 -8.677 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 406 45.797 -8.698 4.518 1.00 0.00 H new ATOM 10 N PRO A 407 45.040 -11.238 4.265 1.00 0.00 N ATOM 11 CA PRO A 407 44.856 -12.680 4.561 1.00 0.00 C ATOM 12 C PRO A 407 45.630 -13.069 5.824 1.00 0.00 C ATOM 13 O PRO A 407 46.645 -12.483 6.147 1.00 0.00 O ATOM 14 CB PRO A 407 45.433 -13.376 3.332 1.00 0.00 C ATOM 15 CG PRO A 407 46.409 -12.401 2.755 1.00 0.00 C ATOM 16 CD PRO A 407 45.916 -11.020 3.106 1.00 0.00 C ATOM 0 HA PRO A 407 43.817 -12.950 4.747 1.00 0.00 H new ATOM 0 HB2 PRO A 407 45.923 -14.311 3.602 1.00 0.00 H new ATOM 0 HB3 PRO A 407 44.650 -13.622 2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 407 47.407 -12.569 3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 407 46.480 -12.521 1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 407 46.742 -10.352 3.350 1.00 0.00 H new ATOM 0 HD3 PRO A 407 45.374 -10.567 2.276 1.00 0.00 H new ATOM 24 N LEU A 408 45.159 -14.055 6.540 1.00 0.00 N ATOM 25 CA LEU A 408 45.865 -14.484 7.784 1.00 0.00 C ATOM 26 C LEU A 408 47.245 -15.052 7.440 1.00 0.00 C ATOM 27 O LEU A 408 47.384 -16.218 7.123 1.00 0.00 O ATOM 28 CB LEU A 408 44.976 -15.569 8.393 1.00 0.00 C ATOM 29 CG LEU A 408 44.140 -14.970 9.526 1.00 0.00 C ATOM 30 CD1 LEU A 408 42.858 -14.366 8.950 1.00 0.00 C ATOM 31 CD2 LEU A 408 43.779 -16.070 10.528 1.00 0.00 C ATOM 0 H LEU A 408 44.315 -14.583 6.317 1.00 0.00 H new ATOM 0 HA LEU A 408 46.025 -13.655 8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 408 44.323 -15.990 7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 408 45.590 -16.386 8.773 1.00 0.00 H new ATOM 0 HG LEU A 408 44.714 -14.192 10.029 1.00 0.00 H new ATOM 0 HD11 LEU A 408 42.262 -13.939 9.757 1.00 0.00 H new ATOM 0 HD12 LEU A 408 43.114 -13.584 8.235 1.00 0.00 H new ATOM 0 HD13 LEU A 408 42.283 -15.144 8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 408 43.183 -15.645 11.336 1.00 0.00 H new ATOM 0 HD22 LEU A 408 43.205 -16.847 10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 408 44.692 -16.502 10.939 1.00 0.00 H new ATOM 43 N GLY A 409 48.265 -14.239 7.503 1.00 0.00 N ATOM 44 CA GLY A 409 49.636 -14.732 7.182 1.00 0.00 C ATOM 45 C GLY A 409 50.286 -13.807 6.152 1.00 0.00 C ATOM 46 O GLY A 409 49.679 -12.864 5.682 1.00 0.00 O ATOM 0 H GLY A 409 48.208 -13.254 7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 409 50.242 -14.767 8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 409 49.586 -15.749 6.792 1.00 0.00 H new ATOM 50 N SER A 410 51.515 -14.070 5.799 1.00 0.00 N ATOM 51 CA SER A 410 52.208 -13.207 4.799 1.00 0.00 C ATOM 52 C SER A 410 53.495 -13.889 4.314 1.00 0.00 C ATOM 53 O SER A 410 54.538 -13.737 4.919 1.00 0.00 O ATOM 54 CB SER A 410 52.535 -11.916 5.547 1.00 0.00 C ATOM 55 OG SER A 410 51.586 -10.918 5.197 1.00 0.00 O ATOM 0 H SER A 410 52.070 -14.846 6.160 1.00 0.00 H new ATOM 0 HA SER A 410 51.594 -13.022 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 410 52.516 -12.091 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 410 53.541 -11.581 5.296 1.00 0.00 H new ATOM 0 HG SER A 410 50.681 -11.286 5.275 1.00 0.00 H new ATOM 61 N PRO A 411 53.378 -14.620 3.234 1.00 0.00 N ATOM 62 CA PRO A 411 54.555 -15.328 2.669 1.00 0.00 C ATOM 63 C PRO A 411 55.514 -14.328 2.015 1.00 0.00 C ATOM 64 O PRO A 411 55.117 -13.510 1.209 1.00 0.00 O ATOM 65 CB PRO A 411 53.946 -16.262 1.627 1.00 0.00 C ATOM 66 CG PRO A 411 52.651 -15.620 1.242 1.00 0.00 C ATOM 67 CD PRO A 411 52.163 -14.856 2.444 1.00 0.00 C ATOM 0 HA PRO A 411 55.138 -15.861 3.420 1.00 0.00 H new ATOM 0 HB2 PRO A 411 54.603 -16.373 0.765 1.00 0.00 H new ATOM 0 HB3 PRO A 411 53.786 -17.259 2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 411 52.789 -14.953 0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 411 51.922 -16.373 0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 411 51.687 -13.919 2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 411 51.426 -15.428 3.008 1.00 0.00 H new ATOM 75 N GLU A 412 56.772 -14.387 2.362 1.00 0.00 N ATOM 76 CA GLU A 412 57.757 -13.438 1.764 1.00 0.00 C ATOM 77 C GLU A 412 58.909 -14.208 1.112 1.00 0.00 C ATOM 78 O GLU A 412 59.415 -15.168 1.659 1.00 0.00 O ATOM 79 CB GLU A 412 58.268 -12.608 2.943 1.00 0.00 C ATOM 80 CG GLU A 412 59.082 -11.422 2.419 1.00 0.00 C ATOM 81 CD GLU A 412 60.569 -11.781 2.421 1.00 0.00 C ATOM 82 OE1 GLU A 412 61.026 -12.323 3.413 1.00 0.00 O ATOM 83 OE2 GLU A 412 61.225 -11.507 1.429 1.00 0.00 O ATOM 0 H GLU A 412 57.160 -15.050 3.033 1.00 0.00 H new ATOM 0 HA GLU A 412 57.312 -12.817 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 412 57.429 -12.251 3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 412 58.885 -13.226 3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 412 58.761 -11.165 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 412 58.908 -10.545 3.042 1.00 0.00 H new ATOM 90 N PHE A 413 59.325 -13.792 -0.055 1.00 0.00 N ATOM 91 CA PHE A 413 60.444 -14.496 -0.747 1.00 0.00 C ATOM 92 C PHE A 413 61.579 -13.512 -1.051 1.00 0.00 C ATOM 93 O PHE A 413 62.663 -13.617 -0.512 1.00 0.00 O ATOM 94 CB PHE A 413 59.835 -15.031 -2.043 1.00 0.00 C ATOM 95 CG PHE A 413 59.019 -16.267 -1.743 1.00 0.00 C ATOM 96 CD1 PHE A 413 57.739 -16.143 -1.190 1.00 0.00 C ATOM 97 CD2 PHE A 413 59.544 -17.536 -2.017 1.00 0.00 C ATOM 98 CE1 PHE A 413 56.983 -17.288 -0.911 1.00 0.00 C ATOM 99 CE2 PHE A 413 58.787 -18.681 -1.738 1.00 0.00 C ATOM 100 CZ PHE A 413 57.507 -18.557 -1.186 1.00 0.00 C ATOM 0 H PHE A 413 58.938 -12.994 -0.559 1.00 0.00 H new ATOM 0 HA PHE A 413 60.870 -15.294 -0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 413 59.205 -14.269 -2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 413 60.623 -15.267 -2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 413 57.335 -15.164 -0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 413 60.532 -17.632 -2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 413 55.996 -17.192 -0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 413 59.191 -19.660 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 413 56.923 -19.440 -0.972 1.00 0.00 H new ATOM 110 N GLY A 414 61.335 -12.558 -1.909 1.00 0.00 N ATOM 111 CA GLY A 414 62.397 -11.566 -2.248 1.00 0.00 C ATOM 112 C GLY A 414 61.754 -10.305 -2.831 1.00 0.00 C ATOM 113 O GLY A 414 60.679 -10.352 -3.396 1.00 0.00 O ATOM 0 H GLY A 414 60.446 -12.422 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 414 62.972 -11.315 -1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 414 63.095 -11.996 -2.966 1.00 0.00 H new ATOM 117 N TYR A 415 62.405 -9.180 -2.698 1.00 0.00 N ATOM 118 CA TYR A 415 61.835 -7.916 -3.242 1.00 0.00 C ATOM 119 C TYR A 415 62.696 -7.404 -4.400 1.00 0.00 C ATOM 120 O TYR A 415 63.102 -6.259 -4.431 1.00 0.00 O ATOM 121 CB TYR A 415 61.857 -6.932 -2.068 1.00 0.00 C ATOM 122 CG TYR A 415 60.440 -6.596 -1.670 1.00 0.00 C ATOM 123 CD1 TYR A 415 59.522 -6.202 -2.648 1.00 0.00 C ATOM 124 CD2 TYR A 415 60.045 -6.682 -0.331 1.00 0.00 C ATOM 125 CE1 TYR A 415 58.205 -5.893 -2.288 1.00 0.00 C ATOM 126 CE2 TYR A 415 58.727 -6.373 0.031 1.00 0.00 C ATOM 127 CZ TYR A 415 57.808 -5.979 -0.948 1.00 0.00 C ATOM 128 OH TYR A 415 56.509 -5.675 -0.592 1.00 0.00 O ATOM 0 H TYR A 415 63.309 -9.083 -2.235 1.00 0.00 H new ATOM 0 HA TYR A 415 60.828 -8.050 -3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 415 62.390 -7.368 -1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 415 62.392 -6.025 -2.349 1.00 0.00 H new ATOM 0 HD1 TYR A 415 59.829 -6.136 -3.681 1.00 0.00 H new ATOM 0 HD2 TYR A 415 60.755 -6.986 0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 415 57.496 -5.588 -3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 415 58.421 -6.439 1.065 1.00 0.00 H new ATOM 0 HH TYR A 415 56.498 -4.843 -0.074 1.00 0.00 H new ATOM 138 N TRP A 416 62.971 -8.250 -5.354 1.00 0.00 N ATOM 139 CA TRP A 416 63.801 -7.829 -6.521 1.00 0.00 C ATOM 140 C TRP A 416 62.925 -7.091 -7.539 1.00 0.00 C ATOM 141 O TRP A 416 62.813 -7.493 -8.681 1.00 0.00 O ATOM 142 CB TRP A 416 64.330 -9.136 -7.119 1.00 0.00 C ATOM 143 CG TRP A 416 65.064 -9.900 -6.064 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.765 -11.155 -5.657 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.206 -9.474 -5.274 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.656 -11.525 -4.665 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.565 -10.521 -4.394 1.00 0.00 C ATOM 148 CE3 TRP A 416 66.958 -8.289 -5.238 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.635 -10.395 -3.506 1.00 0.00 C ATOM 150 CZ3 TRP A 416 68.034 -8.158 -4.350 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.374 -9.208 -3.485 1.00 0.00 C ATOM 0 H TRP A 416 62.656 -9.220 -5.377 1.00 0.00 H new ATOM 0 HA TRP A 416 64.609 -7.154 -6.239 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.504 -9.732 -7.508 1.00 0.00 H new ATOM 0 HB3 TRP A 416 64.993 -8.924 -7.958 1.00 0.00 H new ATOM 0 HD1 TRP A 416 63.963 -11.767 -6.043 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.643 -12.429 -4.192 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.706 -7.473 -5.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.890 -11.207 -2.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.606 -7.242 -4.332 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.205 -9.100 -2.804 1.00 0.00 H new ATOM 162 N ILE A 417 62.291 -6.023 -7.131 1.00 0.00 N ATOM 163 CA ILE A 417 61.408 -5.272 -8.073 1.00 0.00 C ATOM 164 C ILE A 417 61.962 -3.869 -8.345 1.00 0.00 C ATOM 165 O ILE A 417 63.122 -3.591 -8.111 1.00 0.00 O ATOM 166 CB ILE A 417 60.052 -5.190 -7.366 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.193 -4.408 -6.055 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.558 -6.602 -7.054 1.00 0.00 C ATOM 169 CD1 ILE A 417 58.805 -4.007 -5.549 1.00 0.00 C ATOM 0 H ILE A 417 62.346 -5.638 -6.188 1.00 0.00 H new ATOM 0 HA ILE A 417 61.337 -5.766 -9.042 1.00 0.00 H new ATOM 0 HB ILE A 417 59.340 -4.681 -8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 417 60.702 -5.018 -5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 417 60.805 -3.520 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.593 -6.547 -6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.452 -7.164 -7.982 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.277 -7.104 -6.406 1.00 0.00 H new ATOM 0 HD11 ILE A 417 58.904 -3.451 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 417 58.313 -3.382 -6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.208 -4.902 -5.375 1.00 0.00 H new ATOM 181 N THR A 418 61.134 -2.988 -8.843 1.00 0.00 N ATOM 182 CA THR A 418 61.600 -1.601 -9.138 1.00 0.00 C ATOM 183 C THR A 418 60.893 -0.598 -8.220 1.00 0.00 C ATOM 184 O THR A 418 59.896 -0.004 -8.582 1.00 0.00 O ATOM 185 CB THR A 418 61.221 -1.350 -10.602 1.00 0.00 C ATOM 186 OG1 THR A 418 61.040 -2.591 -11.271 1.00 0.00 O ATOM 187 CG2 THR A 418 62.336 -0.559 -11.289 1.00 0.00 C ATOM 0 H THR A 418 60.154 -3.170 -9.058 1.00 0.00 H new ATOM 0 HA THR A 418 62.671 -1.485 -8.972 1.00 0.00 H new ATOM 0 HB THR A 418 60.292 -0.781 -10.641 1.00 0.00 H new ATOM 0 HG1 THR A 418 60.796 -2.426 -12.206 1.00 0.00 H new ATOM 0 HG21 THR A 418 62.067 -0.380 -12.330 1.00 0.00 H new ATOM 0 HG22 THR A 418 62.472 0.395 -10.780 1.00 0.00 H new ATOM 0 HG23 THR A 418 63.265 -1.128 -11.247 1.00 0.00 H new ATOM 195 N CYS A 419 61.410 -0.404 -7.035 1.00 0.00 N ATOM 196 CA CYS A 419 60.786 0.563 -6.079 1.00 0.00 C ATOM 197 C CYS A 419 60.556 1.920 -6.762 1.00 0.00 C ATOM 198 O CYS A 419 59.675 2.673 -6.393 1.00 0.00 O ATOM 199 CB CYS A 419 61.802 0.665 -4.932 1.00 0.00 C ATOM 200 SG CYS A 419 62.999 1.992 -5.234 1.00 0.00 S ATOM 0 H CYS A 419 62.243 -0.876 -6.685 1.00 0.00 H new ATOM 0 HA CYS A 419 59.806 0.243 -5.724 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.278 0.850 -3.994 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.327 -0.284 -4.822 1.00 0.00 H new ATOM 205 N CYS A 420 61.344 2.227 -7.757 1.00 0.00 N ATOM 206 CA CYS A 420 61.185 3.525 -8.475 1.00 0.00 C ATOM 207 C CYS A 420 61.009 3.261 -9.979 1.00 0.00 C ATOM 208 O CYS A 420 60.893 2.123 -10.389 1.00 0.00 O ATOM 209 CB CYS A 420 62.488 4.282 -8.198 1.00 0.00 C ATOM 210 SG CYS A 420 62.123 5.833 -7.337 1.00 0.00 S ATOM 0 H CYS A 420 62.095 1.631 -8.105 1.00 0.00 H new ATOM 0 HA CYS A 420 60.313 4.092 -8.148 1.00 0.00 H new ATOM 0 HB2 CYS A 420 63.155 3.668 -7.593 1.00 0.00 H new ATOM 0 HB3 CYS A 420 63.006 4.488 -9.135 1.00 0.00 H new ATOM 0 HG CYS A 420 61.200 5.627 -6.445 1.00 0.00 H new ATOM 216 N PRO A 421 60.991 4.314 -10.759 1.00 0.00 N ATOM 217 CA PRO A 421 60.825 4.159 -12.221 1.00 0.00 C ATOM 218 C PRO A 421 62.153 3.745 -12.864 1.00 0.00 C ATOM 219 O PRO A 421 62.184 3.192 -13.946 1.00 0.00 O ATOM 220 CB PRO A 421 60.394 5.546 -12.685 1.00 0.00 C ATOM 221 CG PRO A 421 60.916 6.497 -11.651 1.00 0.00 C ATOM 222 CD PRO A 421 61.121 5.724 -10.369 1.00 0.00 C ATOM 0 HA PRO A 421 60.104 3.388 -12.495 1.00 0.00 H new ATOM 0 HB2 PRO A 421 60.802 5.774 -13.669 1.00 0.00 H new ATOM 0 HB3 PRO A 421 59.309 5.613 -12.767 1.00 0.00 H new ATOM 0 HG2 PRO A 421 61.854 6.943 -11.982 1.00 0.00 H new ATOM 0 HG3 PRO A 421 60.212 7.315 -11.495 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.101 5.927 -9.937 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.379 5.997 -9.619 1.00 0.00 H new ATOM 230 N THR A 422 63.248 4.001 -12.198 1.00 0.00 N ATOM 231 CA THR A 422 64.576 3.618 -12.758 1.00 0.00 C ATOM 232 C THR A 422 65.387 2.873 -11.695 1.00 0.00 C ATOM 233 O THR A 422 66.570 3.101 -11.527 1.00 0.00 O ATOM 234 CB THR A 422 65.252 4.940 -13.123 1.00 0.00 C ATOM 235 OG1 THR A 422 65.357 5.752 -11.961 1.00 0.00 O ATOM 236 CG2 THR A 422 64.422 5.666 -14.183 1.00 0.00 C ATOM 0 H THR A 422 63.279 4.460 -11.288 1.00 0.00 H new ATOM 0 HA THR A 422 64.491 2.959 -13.622 1.00 0.00 H new ATOM 0 HB THR A 422 66.248 4.742 -13.520 1.00 0.00 H new ATOM 0 HG1 THR A 422 65.792 6.599 -12.192 1.00 0.00 H new ATOM 0 HG21 THR A 422 64.906 6.608 -14.442 1.00 0.00 H new ATOM 0 HG22 THR A 422 64.343 5.042 -15.073 1.00 0.00 H new ATOM 0 HG23 THR A 422 63.425 5.866 -13.790 1.00 0.00 H new ATOM 244 N CYS A 423 64.753 1.990 -10.970 1.00 0.00 N ATOM 245 CA CYS A 423 65.473 1.230 -9.907 1.00 0.00 C ATOM 246 C CYS A 423 66.092 -0.047 -10.485 1.00 0.00 C ATOM 247 O CYS A 423 65.557 -0.655 -11.392 1.00 0.00 O ATOM 248 CB CYS A 423 64.397 0.889 -8.874 1.00 0.00 C ATOM 249 SG CYS A 423 65.113 -0.120 -7.549 1.00 0.00 S ATOM 0 H CYS A 423 63.764 1.762 -11.069 1.00 0.00 H new ATOM 0 HA CYS A 423 66.292 1.803 -9.473 1.00 0.00 H new ATOM 0 HB2 CYS A 423 63.976 1.805 -8.459 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.579 0.350 -9.352 1.00 0.00 H new ATOM 254 N ASP A 424 67.214 -0.456 -9.956 1.00 0.00 N ATOM 255 CA ASP A 424 67.877 -1.695 -10.455 1.00 0.00 C ATOM 256 C ASP A 424 68.306 -2.562 -9.269 1.00 0.00 C ATOM 257 O ASP A 424 69.373 -3.145 -9.266 1.00 0.00 O ATOM 258 CB ASP A 424 69.100 -1.207 -11.237 1.00 0.00 C ATOM 259 CG ASP A 424 69.944 -0.268 -10.368 1.00 0.00 C ATOM 260 OD1 ASP A 424 69.760 -0.276 -9.161 1.00 0.00 O ATOM 261 OD2 ASP A 424 70.763 0.445 -10.926 1.00 0.00 O ATOM 0 H ASP A 424 67.702 0.018 -9.196 1.00 0.00 H new ATOM 0 HA ASP A 424 67.218 -2.301 -11.077 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.701 -2.059 -11.555 1.00 0.00 H new ATOM 0 HB3 ASP A 424 68.780 -0.688 -12.141 1.00 0.00 H new ATOM 266 N VAL A 425 67.481 -2.645 -8.258 1.00 0.00 N ATOM 267 CA VAL A 425 67.836 -3.466 -7.063 1.00 0.00 C ATOM 268 C VAL A 425 67.770 -4.956 -7.406 1.00 0.00 C ATOM 269 O VAL A 425 66.718 -5.498 -7.686 1.00 0.00 O ATOM 270 CB VAL A 425 66.796 -3.088 -6.002 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.770 -4.134 -4.881 1.00 0.00 C ATOM 272 CG2 VAL A 425 67.166 -1.730 -5.407 1.00 0.00 C ATOM 0 H VAL A 425 66.575 -2.179 -8.209 1.00 0.00 H new ATOM 0 HA VAL A 425 68.851 -3.279 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 425 65.812 -3.044 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 425 66.026 -3.851 -4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.513 -5.108 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.752 -4.188 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.432 -1.452 -4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 425 68.153 -1.790 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.177 -0.978 -6.196 1.00 0.00 H new ATOM 282 N ASP A 426 68.893 -5.615 -7.377 1.00 0.00 N ATOM 283 CA ASP A 426 68.923 -7.071 -7.690 1.00 0.00 C ATOM 284 C ASP A 426 70.048 -7.740 -6.899 1.00 0.00 C ATOM 285 O ASP A 426 71.092 -7.157 -6.681 1.00 0.00 O ATOM 286 CB ASP A 426 69.199 -7.150 -9.192 1.00 0.00 C ATOM 287 CG ASP A 426 67.879 -7.318 -9.945 1.00 0.00 C ATOM 288 OD1 ASP A 426 67.393 -8.436 -10.006 1.00 0.00 O ATOM 289 OD2 ASP A 426 67.376 -6.328 -10.450 1.00 0.00 O ATOM 0 H ASP A 426 69.799 -5.205 -7.148 1.00 0.00 H new ATOM 0 HA ASP A 426 67.994 -7.577 -7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.709 -6.246 -9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 426 69.862 -7.988 -9.407 1.00 0.00 H new ATOM 294 N ILE A 427 69.846 -8.953 -6.462 1.00 0.00 N ATOM 295 CA ILE A 427 70.908 -9.651 -5.677 1.00 0.00 C ATOM 296 C ILE A 427 72.241 -9.628 -6.436 1.00 0.00 C ATOM 297 O ILE A 427 73.301 -9.708 -5.846 1.00 0.00 O ATOM 298 CB ILE A 427 70.403 -11.084 -5.504 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.404 -11.877 -4.657 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.249 -11.747 -6.875 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.789 -12.182 -3.289 1.00 0.00 C ATOM 0 H ILE A 427 68.993 -9.492 -6.613 1.00 0.00 H new ATOM 0 HA ILE A 427 71.090 -9.169 -4.716 1.00 0.00 H new ATOM 0 HB ILE A 427 69.435 -11.069 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.669 -12.805 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.325 -11.306 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.889 -12.768 -6.747 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.534 -11.183 -7.474 1.00 0.00 H new ATOM 0 HG23 ILE A 427 71.214 -11.763 -7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.502 -12.746 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.546 -11.248 -2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.881 -12.770 -3.421 1.00 0.00 H new ATOM 313 N ASN A 428 72.193 -9.513 -7.737 1.00 0.00 N ATOM 314 CA ASN A 428 73.457 -9.475 -8.530 1.00 0.00 C ATOM 315 C ASN A 428 74.292 -8.259 -8.118 1.00 0.00 C ATOM 316 O ASN A 428 75.506 -8.276 -8.183 1.00 0.00 O ATOM 317 CB ASN A 428 73.010 -9.353 -9.988 1.00 0.00 C ATOM 318 CG ASN A 428 73.893 -10.237 -10.870 1.00 0.00 C ATOM 319 OD1 ASN A 428 75.073 -9.986 -11.014 1.00 0.00 O ATOM 320 ND2 ASN A 428 73.368 -11.270 -11.469 1.00 0.00 N ATOM 0 H ASN A 428 71.335 -9.444 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 428 74.075 -10.358 -8.371 1.00 0.00 H new ATOM 0 HB2 ASN A 428 71.966 -9.652 -10.085 1.00 0.00 H new ATOM 0 HB3 ASN A 428 73.076 -8.315 -10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 428 73.948 -11.867 -12.058 1.00 0.00 H new ATOM 0 HD22 ASN A 428 72.377 -11.481 -11.348 1.00 0.00 H new ATOM 327 N THR A 429 73.647 -7.207 -7.691 1.00 0.00 N ATOM 328 CA THR A 429 74.393 -5.986 -7.268 1.00 0.00 C ATOM 329 C THR A 429 73.892 -5.496 -5.903 1.00 0.00 C ATOM 330 O THR A 429 74.290 -4.451 -5.427 1.00 0.00 O ATOM 331 CB THR A 429 74.104 -4.945 -8.353 1.00 0.00 C ATOM 332 OG1 THR A 429 74.733 -3.719 -8.009 1.00 0.00 O ATOM 333 CG2 THR A 429 72.593 -4.729 -8.473 1.00 0.00 C ATOM 0 H THR A 429 72.632 -7.140 -7.617 1.00 0.00 H new ATOM 0 HA THR A 429 75.461 -6.176 -7.160 1.00 0.00 H new ATOM 0 HB THR A 429 74.493 -5.300 -9.307 1.00 0.00 H new ATOM 0 HG1 THR A 429 74.828 -3.662 -7.035 1.00 0.00 H new ATOM 0 HG21 THR A 429 72.392 -3.987 -9.246 1.00 0.00 H new ATOM 0 HG22 THR A 429 72.111 -5.670 -8.738 1.00 0.00 H new ATOM 0 HG23 THR A 429 72.199 -4.376 -7.520 1.00 0.00 H new ATOM 341 N TRP A 430 73.022 -6.241 -5.270 1.00 0.00 N ATOM 342 CA TRP A 430 72.499 -5.816 -3.938 1.00 0.00 C ATOM 343 C TRP A 430 73.379 -6.379 -2.818 1.00 0.00 C ATOM 344 O TRP A 430 74.296 -7.138 -3.057 1.00 0.00 O ATOM 345 CB TRP A 430 71.103 -6.426 -3.838 1.00 0.00 C ATOM 346 CG TRP A 430 70.433 -5.922 -2.613 1.00 0.00 C ATOM 347 CD1 TRP A 430 69.920 -4.685 -2.410 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.227 -6.654 -1.407 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.406 -4.634 -1.120 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.578 -5.840 -0.463 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.553 -7.952 -1.072 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.260 -6.322 0.808 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.243 -8.460 0.200 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.596 -7.642 1.142 1.00 0.00 C ATOM 0 H TRP A 430 72.652 -7.125 -5.619 1.00 0.00 H new ATOM 0 HA TRP A 430 72.488 -4.731 -3.839 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.517 -6.167 -4.720 1.00 0.00 H new ATOM 0 HB3 TRP A 430 71.170 -7.514 -3.808 1.00 0.00 H new ATOM 0 HD1 TRP A 430 69.912 -3.877 -3.127 1.00 0.00 H new ATOM 0 HE1 TRP A 430 68.960 -3.814 -0.710 1.00 0.00 H new ATOM 0 HE3 TRP A 430 71.051 -8.583 -1.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 68.762 -5.686 1.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.501 -9.477 0.454 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.358 -8.029 2.122 1.00 0.00 H new ATOM 365 N VAL A 431 73.093 -6.018 -1.595 1.00 0.00 N ATOM 366 CA VAL A 431 73.894 -6.537 -0.451 1.00 0.00 C ATOM 367 C VAL A 431 73.170 -6.236 0.866 1.00 0.00 C ATOM 368 O VAL A 431 72.439 -5.270 0.967 1.00 0.00 O ATOM 369 CB VAL A 431 75.238 -5.807 -0.546 1.00 0.00 C ATOM 370 CG1 VAL A 431 75.010 -4.306 -0.743 1.00 0.00 C ATOM 371 CG2 VAL A 431 76.063 -6.027 0.724 1.00 0.00 C ATOM 0 H VAL A 431 72.336 -5.384 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 431 74.035 -7.617 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 431 75.783 -6.210 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 431 75.972 -3.797 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 431 74.448 -4.141 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 431 74.447 -3.909 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 431 77.013 -5.500 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 431 75.515 -5.645 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 431 76.250 -7.093 0.857 1.00 0.00 H new ATOM 381 N PRO A 432 73.387 -7.091 1.832 1.00 0.00 N ATOM 382 CA PRO A 432 72.735 -6.929 3.149 1.00 0.00 C ATOM 383 C PRO A 432 73.462 -5.873 3.986 1.00 0.00 C ATOM 384 O PRO A 432 74.522 -6.116 4.530 1.00 0.00 O ATOM 385 CB PRO A 432 72.847 -8.314 3.776 1.00 0.00 C ATOM 386 CG PRO A 432 74.022 -8.966 3.110 1.00 0.00 C ATOM 387 CD PRO A 432 74.254 -8.274 1.788 1.00 0.00 C ATOM 0 HA PRO A 432 71.703 -6.586 3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.996 -8.245 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.936 -8.891 3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.908 -8.890 3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.831 -10.028 2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 432 75.300 -7.994 1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.997 -8.923 0.951 1.00 0.00 H new ATOM 395 N PHE A 433 72.894 -4.702 4.090 1.00 0.00 N ATOM 396 CA PHE A 433 73.535 -3.615 4.886 1.00 0.00 C ATOM 397 C PHE A 433 72.831 -3.469 6.236 1.00 0.00 C ATOM 398 O PHE A 433 73.451 -3.199 7.247 1.00 0.00 O ATOM 399 CB PHE A 433 73.339 -2.352 4.048 1.00 0.00 C ATOM 400 CG PHE A 433 74.346 -1.307 4.461 1.00 0.00 C ATOM 401 CD1 PHE A 433 74.077 -0.468 5.549 1.00 0.00 C ATOM 402 CD2 PHE A 433 75.547 -1.174 3.754 1.00 0.00 C ATOM 403 CE1 PHE A 433 75.011 0.504 5.931 1.00 0.00 C ATOM 404 CE2 PHE A 433 76.481 -0.202 4.135 1.00 0.00 C ATOM 405 CZ PHE A 433 76.212 0.637 5.224 1.00 0.00 C ATOM 0 H PHE A 433 72.007 -4.450 3.655 1.00 0.00 H new ATOM 0 HA PHE A 433 74.587 -3.815 5.092 1.00 0.00 H new ATOM 0 HB2 PHE A 433 73.455 -2.585 2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 433 72.327 -1.969 4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 433 73.150 -0.570 6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 433 75.754 -1.821 2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 433 74.804 1.151 6.771 1.00 0.00 H new ATOM 0 HE2 PHE A 433 77.408 -0.100 3.590 1.00 0.00 H new ATOM 0 HZ PHE A 433 76.931 1.387 5.518 1.00 0.00 H new ATOM 415 N TYR A 434 71.539 -3.642 6.255 1.00 0.00 N ATOM 416 CA TYR A 434 70.780 -3.510 7.536 1.00 0.00 C ATOM 417 C TYR A 434 71.197 -4.612 8.512 1.00 0.00 C ATOM 418 O TYR A 434 71.934 -5.515 8.165 1.00 0.00 O ATOM 419 CB TYR A 434 69.302 -3.664 7.156 1.00 0.00 C ATOM 420 CG TYR A 434 68.971 -2.762 5.989 1.00 0.00 C ATOM 421 CD1 TYR A 434 69.067 -1.372 6.126 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.572 -3.320 4.768 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.763 -0.540 5.041 1.00 0.00 C ATOM 424 CE2 TYR A 434 68.267 -2.487 3.685 1.00 0.00 C ATOM 425 CZ TYR A 434 68.363 -1.098 3.821 1.00 0.00 C ATOM 426 OH TYR A 434 68.062 -0.278 2.753 1.00 0.00 O ATOM 0 H TYR A 434 70.972 -3.870 5.438 1.00 0.00 H new ATOM 0 HA TYR A 434 70.972 -2.556 8.026 1.00 0.00 H new ATOM 0 HB2 TYR A 434 69.091 -4.701 6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.671 -3.415 8.009 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.375 -0.942 7.067 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.500 -4.392 4.662 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.837 0.532 5.146 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.957 -2.917 2.744 1.00 0.00 H new ATOM 0 HH TYR A 434 67.803 -0.826 1.983 1.00 0.00 H new ATOM 436 N SER A 435 70.733 -4.544 9.732 1.00 0.00 N ATOM 437 CA SER A 435 71.103 -5.587 10.733 1.00 0.00 C ATOM 438 C SER A 435 70.040 -6.688 10.772 1.00 0.00 C ATOM 439 O SER A 435 70.342 -7.847 10.979 1.00 0.00 O ATOM 440 CB SER A 435 71.161 -4.848 12.069 1.00 0.00 C ATOM 441 OG SER A 435 71.874 -3.631 11.904 1.00 0.00 O ATOM 0 H SER A 435 70.114 -3.811 10.078 1.00 0.00 H new ATOM 0 HA SER A 435 72.049 -6.072 10.493 1.00 0.00 H new ATOM 0 HB2 SER A 435 70.152 -4.645 12.429 1.00 0.00 H new ATOM 0 HB3 SER A 435 71.649 -5.469 12.820 1.00 0.00 H new ATOM 0 HG SER A 435 71.265 -2.937 11.575 1.00 0.00 H new ATOM 447 N THR A 436 68.796 -6.334 10.581 1.00 0.00 N ATOM 448 CA THR A 436 67.714 -7.362 10.613 1.00 0.00 C ATOM 449 C THR A 436 67.622 -8.080 9.264 1.00 0.00 C ATOM 450 O THR A 436 67.235 -9.230 9.189 1.00 0.00 O ATOM 451 CB THR A 436 66.431 -6.577 10.891 1.00 0.00 C ATOM 452 OG1 THR A 436 66.429 -5.385 10.116 1.00 0.00 O ATOM 453 CG2 THR A 436 66.357 -6.222 12.376 1.00 0.00 C ATOM 0 H THR A 436 68.483 -5.379 10.405 1.00 0.00 H new ATOM 0 HA THR A 436 67.896 -8.128 11.367 1.00 0.00 H new ATOM 0 HB THR A 436 65.568 -7.187 10.623 1.00 0.00 H new ATOM 0 HG1 THR A 436 65.607 -4.882 10.292 1.00 0.00 H new ATOM 0 HG21 THR A 436 65.442 -5.663 12.571 1.00 0.00 H new ATOM 0 HG22 THR A 436 66.357 -7.136 12.969 1.00 0.00 H new ATOM 0 HG23 THR A 436 67.219 -5.613 12.648 1.00 0.00 H new ATOM 461 N GLU A 437 67.975 -7.411 8.199 1.00 0.00 N ATOM 462 CA GLU A 437 67.907 -8.057 6.854 1.00 0.00 C ATOM 463 C GLU A 437 69.119 -8.968 6.649 1.00 0.00 C ATOM 464 O GLU A 437 70.185 -8.728 7.182 1.00 0.00 O ATOM 465 CB GLU A 437 67.926 -6.899 5.852 1.00 0.00 C ATOM 466 CG GLU A 437 66.790 -5.923 6.167 1.00 0.00 C ATOM 467 CD GLU A 437 65.443 -6.593 5.888 1.00 0.00 C ATOM 468 OE1 GLU A 437 65.080 -7.484 6.637 1.00 0.00 O ATOM 469 OE2 GLU A 437 64.797 -6.201 4.930 1.00 0.00 O ATOM 0 H GLU A 437 68.307 -6.447 8.201 1.00 0.00 H new ATOM 0 HA GLU A 437 67.018 -8.677 6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 437 68.885 -6.382 5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.818 -7.282 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 437 66.843 -5.612 7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 437 66.892 -5.023 5.561 1.00 0.00 H new ATOM 476 N LEU A 438 68.964 -10.017 5.884 1.00 0.00 N ATOM 477 CA LEU A 438 70.108 -10.947 5.650 1.00 0.00 C ATOM 478 C LEU A 438 70.360 -11.119 4.149 1.00 0.00 C ATOM 479 O LEU A 438 71.487 -11.088 3.694 1.00 0.00 O ATOM 480 CB LEU A 438 69.672 -12.275 6.276 1.00 0.00 C ATOM 481 CG LEU A 438 70.825 -12.874 7.091 1.00 0.00 C ATOM 482 CD1 LEU A 438 72.035 -13.105 6.179 1.00 0.00 C ATOM 483 CD2 LEU A 438 71.211 -11.915 8.223 1.00 0.00 C ATOM 0 H LEU A 438 68.096 -10.270 5.412 1.00 0.00 H new ATOM 0 HA LEU A 438 71.036 -10.574 6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 438 68.806 -12.117 6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 438 69.367 -12.972 5.495 1.00 0.00 H new ATOM 0 HG LEU A 438 70.507 -13.825 7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 438 72.853 -13.531 6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 438 71.762 -13.793 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 438 72.352 -12.155 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 438 72.030 -12.344 8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 438 71.525 -10.961 7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 438 70.352 -11.757 8.875 1.00 0.00 H new ATOM 495 N ASN A 439 69.322 -11.306 3.379 1.00 0.00 N ATOM 496 CA ASN A 439 69.506 -11.487 1.909 1.00 0.00 C ATOM 497 C ASN A 439 68.386 -10.784 1.137 1.00 0.00 C ATOM 498 O ASN A 439 68.054 -11.163 0.030 1.00 0.00 O ATOM 499 CB ASN A 439 69.442 -12.998 1.688 1.00 0.00 C ATOM 500 CG ASN A 439 70.467 -13.406 0.628 1.00 0.00 C ATOM 501 OD1 ASN A 439 70.130 -14.060 -0.340 1.00 0.00 O ATOM 502 ND2 ASN A 439 71.713 -13.045 0.768 1.00 0.00 N ATOM 0 H ASN A 439 68.356 -11.341 3.703 1.00 0.00 H new ATOM 0 HA ASN A 439 70.445 -11.060 1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 439 69.643 -13.521 2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 439 68.440 -13.287 1.370 1.00 0.00 H new ATOM 0 HD21 ASN A 439 72.403 -13.311 0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 439 71.997 -12.496 1.580 1.00 0.00 H new ATOM 509 N LYS A 440 67.801 -9.764 1.706 1.00 0.00 N ATOM 510 CA LYS A 440 66.705 -9.043 0.995 1.00 0.00 C ATOM 511 C LYS A 440 66.624 -7.582 1.467 1.00 0.00 C ATOM 512 O LYS A 440 66.819 -7.299 2.632 1.00 0.00 O ATOM 513 CB LYS A 440 65.425 -9.801 1.359 1.00 0.00 C ATOM 514 CG LYS A 440 65.226 -9.787 2.878 1.00 0.00 C ATOM 515 CD LYS A 440 64.257 -8.665 3.256 1.00 0.00 C ATOM 516 CE LYS A 440 62.826 -9.205 3.261 1.00 0.00 C ATOM 517 NZ LYS A 440 61.996 -8.086 3.790 1.00 0.00 N ATOM 0 H LYS A 440 68.034 -9.399 2.630 1.00 0.00 H new ATOM 0 HA LYS A 440 66.867 -9.014 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.568 -9.342 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.486 -10.829 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 440 64.835 -10.748 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 440 66.183 -9.640 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 440 64.510 -8.268 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 440 64.344 -7.841 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 440 62.509 -9.493 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 440 62.740 -10.092 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 60.999 -8.379 3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 62.317 -7.838 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 62.092 -7.258 3.168 1.00 0.00 H new ATOM 531 N PRO A 441 66.330 -6.702 0.541 1.00 0.00 N ATOM 532 CA PRO A 441 66.215 -5.253 0.870 1.00 0.00 C ATOM 533 C PRO A 441 65.013 -4.991 1.781 1.00 0.00 C ATOM 534 O PRO A 441 63.953 -5.564 1.611 1.00 0.00 O ATOM 535 CB PRO A 441 66.017 -4.591 -0.495 1.00 0.00 C ATOM 536 CG PRO A 441 65.457 -5.670 -1.361 1.00 0.00 C ATOM 537 CD PRO A 441 66.077 -6.956 -0.884 1.00 0.00 C ATOM 0 HA PRO A 441 67.083 -4.871 1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.336 -3.743 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.959 -4.213 -0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.371 -5.709 -1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.693 -5.489 -2.410 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.407 -7.803 -1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.998 -7.182 -1.422 1.00 0.00 H new ATOM 545 N ALA A 442 65.172 -4.121 2.743 1.00 0.00 N ATOM 546 CA ALA A 442 64.043 -3.806 3.666 1.00 0.00 C ATOM 547 C ALA A 442 63.124 -2.764 3.023 1.00 0.00 C ATOM 548 O ALA A 442 63.241 -1.579 3.269 1.00 0.00 O ATOM 549 CB ALA A 442 64.705 -3.243 4.926 1.00 0.00 C ATOM 0 H ALA A 442 66.037 -3.614 2.930 1.00 0.00 H new ATOM 0 HA ALA A 442 63.429 -4.678 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.938 -2.986 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.374 -3.991 5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.275 -2.350 4.669 1.00 0.00 H new ATOM 555 N MET A 443 62.217 -3.200 2.190 1.00 0.00 N ATOM 556 CA MET A 443 61.291 -2.242 1.515 1.00 0.00 C ATOM 557 C MET A 443 60.531 -1.402 2.547 1.00 0.00 C ATOM 558 O MET A 443 60.562 -1.675 3.731 1.00 0.00 O ATOM 559 CB MET A 443 60.320 -3.121 0.726 1.00 0.00 C ATOM 560 CG MET A 443 60.827 -3.287 -0.711 1.00 0.00 C ATOM 561 SD MET A 443 59.457 -3.050 -1.869 1.00 0.00 S ATOM 562 CE MET A 443 60.454 -2.734 -3.345 1.00 0.00 C ATOM 0 H MET A 443 62.077 -4.181 1.947 1.00 0.00 H new ATOM 0 HA MET A 443 61.827 -1.541 0.876 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.226 -4.096 1.204 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.327 -2.671 0.722 1.00 0.00 H new ATOM 0 HG2 MET A 443 61.617 -2.564 -0.914 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.260 -4.279 -0.842 1.00 0.00 H new ATOM 0 HE1 MET A 443 59.838 -2.253 -4.104 1.00 0.00 H new ATOM 0 HE2 MET A 443 61.288 -2.081 -3.088 1.00 0.00 H new ATOM 0 HE3 MET A 443 60.838 -3.677 -3.734 1.00 0.00 H new ATOM 572 N ILE A 444 59.845 -0.385 2.099 1.00 0.00 N ATOM 573 CA ILE A 444 59.072 0.477 3.040 1.00 0.00 C ATOM 574 C ILE A 444 57.719 0.832 2.424 1.00 0.00 C ATOM 575 O ILE A 444 57.477 0.602 1.255 1.00 0.00 O ATOM 576 CB ILE A 444 59.925 1.735 3.239 1.00 0.00 C ATOM 577 CG1 ILE A 444 59.156 2.757 4.083 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.263 2.354 1.881 1.00 0.00 C ATOM 579 CD1 ILE A 444 60.103 3.879 4.513 1.00 0.00 C ATOM 0 H ILE A 444 59.786 -0.113 1.118 1.00 0.00 H new ATOM 0 HA ILE A 444 58.873 -0.022 3.989 1.00 0.00 H new ATOM 0 HB ILE A 444 60.846 1.459 3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 444 58.326 3.168 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 444 58.728 2.272 4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 444 60.869 3.248 2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.819 1.634 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 444 59.342 2.622 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 444 59.556 4.606 5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 444 60.918 3.461 5.103 1.00 0.00 H new ATOM 0 HD13 ILE A 444 60.510 4.371 3.629 1.00 0.00 H new ATOM 591 N TYR A 445 56.841 1.388 3.207 1.00 0.00 N ATOM 592 CA TYR A 445 55.493 1.759 2.687 1.00 0.00 C ATOM 593 C TYR A 445 55.403 3.275 2.465 1.00 0.00 C ATOM 594 O TYR A 445 55.665 4.058 3.357 1.00 0.00 O ATOM 595 CB TYR A 445 54.518 1.296 3.781 1.00 0.00 C ATOM 596 CG TYR A 445 53.278 2.165 3.790 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.282 1.976 2.825 1.00 0.00 C ATOM 598 CD2 TYR A 445 53.130 3.157 4.766 1.00 0.00 C ATOM 599 CE1 TYR A 445 51.137 2.782 2.836 1.00 0.00 C ATOM 600 CE2 TYR A 445 51.985 3.962 4.778 1.00 0.00 C ATOM 601 CZ TYR A 445 50.989 3.775 3.812 1.00 0.00 C ATOM 602 OH TYR A 445 49.860 4.569 3.823 1.00 0.00 O ATOM 0 H TYR A 445 56.998 1.604 4.192 1.00 0.00 H new ATOM 0 HA TYR A 445 55.272 1.299 1.724 1.00 0.00 H new ATOM 0 HB2 TYR A 445 54.239 0.256 3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 445 55.007 1.340 4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.396 1.209 2.073 1.00 0.00 H new ATOM 0 HD2 TYR A 445 53.899 3.301 5.510 1.00 0.00 H new ATOM 0 HE1 TYR A 445 50.368 2.638 2.092 1.00 0.00 H new ATOM 0 HE2 TYR A 445 51.870 4.727 5.532 1.00 0.00 H new ATOM 0 HH TYR A 445 49.915 5.206 4.566 1.00 0.00 H new ATOM 612 N CYS A 446 55.022 3.689 1.285 1.00 0.00 N ATOM 613 CA CYS A 446 54.902 5.151 1.007 1.00 0.00 C ATOM 614 C CYS A 446 53.505 5.640 1.401 1.00 0.00 C ATOM 615 O CYS A 446 52.533 4.919 1.290 1.00 0.00 O ATOM 616 CB CYS A 446 55.115 5.294 -0.501 1.00 0.00 C ATOM 617 SG CYS A 446 55.019 7.043 -0.969 1.00 0.00 S ATOM 0 H CYS A 446 54.789 3.078 0.502 1.00 0.00 H new ATOM 0 HA CYS A 446 55.623 5.741 1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 446 56.086 4.885 -0.781 1.00 0.00 H new ATOM 0 HB3 CYS A 446 54.361 4.721 -1.040 1.00 0.00 H new ATOM 622 N SER A 447 53.397 6.859 1.856 1.00 0.00 N ATOM 623 CA SER A 447 52.062 7.392 2.255 1.00 0.00 C ATOM 624 C SER A 447 51.540 8.363 1.191 1.00 0.00 C ATOM 625 O SER A 447 51.687 9.564 1.308 1.00 0.00 O ATOM 626 CB SER A 447 52.305 8.122 3.576 1.00 0.00 C ATOM 627 OG SER A 447 51.239 7.833 4.473 1.00 0.00 O ATOM 0 H SER A 447 54.175 7.509 1.969 1.00 0.00 H new ATOM 0 HA SER A 447 51.316 6.604 2.357 1.00 0.00 H new ATOM 0 HB2 SER A 447 53.255 7.809 4.009 1.00 0.00 H new ATOM 0 HB3 SER A 447 52.371 9.196 3.405 1.00 0.00 H new ATOM 0 HG SER A 447 51.391 8.298 5.322 1.00 0.00 H new ATOM 633 N HIS A 448 50.932 7.851 0.155 1.00 0.00 N ATOM 634 CA HIS A 448 50.399 8.743 -0.916 1.00 0.00 C ATOM 635 C HIS A 448 49.346 8.005 -1.746 1.00 0.00 C ATOM 636 O HIS A 448 49.625 6.998 -2.367 1.00 0.00 O ATOM 637 CB HIS A 448 51.613 9.094 -1.778 1.00 0.00 C ATOM 638 CG HIS A 448 51.226 10.142 -2.786 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.524 11.483 -2.607 1.00 0.00 N ATOM 640 CD2 HIS A 448 50.566 10.060 -3.987 1.00 0.00 C ATOM 641 CE1 HIS A 448 51.048 12.149 -3.675 1.00 0.00 C ATOM 642 NE2 HIS A 448 50.453 11.329 -4.546 1.00 0.00 N ATOM 0 H HIS A 448 50.781 6.854 0.004 1.00 0.00 H new ATOM 0 HA HIS A 448 49.915 9.632 -0.510 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.425 9.461 -1.150 1.00 0.00 H new ATOM 0 HB3 HIS A 448 51.981 8.203 -2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 448 50.192 9.149 -4.430 1.00 0.00 H new ATOM 0 HE1 HIS A 448 51.136 13.217 -3.812 1.00 0.00 H new ATOM 0 HE2 HIS A 448 50.011 11.579 -5.430 1.00 0.00 H new ATOM 650 N GLY A 449 48.137 8.500 -1.762 1.00 0.00 N ATOM 651 CA GLY A 449 47.063 7.829 -2.550 1.00 0.00 C ATOM 652 C GLY A 449 46.769 6.456 -1.947 1.00 0.00 C ATOM 653 O GLY A 449 45.926 6.315 -1.082 1.00 0.00 O ATOM 0 H GLY A 449 47.847 9.341 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.160 8.440 -2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 449 47.373 7.722 -3.590 1.00 0.00 H new ATOM 657 N ASP A 450 47.459 5.441 -2.395 1.00 0.00 N ATOM 658 CA ASP A 450 47.222 4.074 -1.847 1.00 0.00 C ATOM 659 C ASP A 450 48.449 3.596 -1.067 1.00 0.00 C ATOM 660 O ASP A 450 48.345 2.799 -0.154 1.00 0.00 O ATOM 661 CB ASP A 450 46.987 3.190 -3.072 1.00 0.00 C ATOM 662 CG ASP A 450 45.520 3.286 -3.498 1.00 0.00 C ATOM 663 OD1 ASP A 450 44.726 2.508 -2.994 1.00 0.00 O ATOM 664 OD2 ASP A 450 45.216 4.136 -4.318 1.00 0.00 O ATOM 0 H ASP A 450 48.177 5.500 -3.117 1.00 0.00 H new ATOM 0 HA ASP A 450 46.378 4.047 -1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 450 47.635 3.504 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 450 47.243 2.156 -2.842 1.00 0.00 H new ATOM 669 N GLY A 451 49.612 4.078 -1.418 1.00 0.00 N ATOM 670 CA GLY A 451 50.847 3.654 -0.698 1.00 0.00 C ATOM 671 C GLY A 451 51.377 2.356 -1.307 1.00 0.00 C ATOM 672 O GLY A 451 50.649 1.396 -1.476 1.00 0.00 O ATOM 0 H GLY A 451 49.759 4.748 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.605 4.435 -0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.631 3.509 0.361 1.00 0.00 H new ATOM 676 N HIS A 452 52.642 2.315 -1.629 1.00 0.00 N ATOM 677 CA HIS A 452 53.224 1.073 -2.216 1.00 0.00 C ATOM 678 C HIS A 452 54.492 0.673 -1.473 1.00 0.00 C ATOM 679 O HIS A 452 54.948 1.356 -0.574 1.00 0.00 O ATOM 680 CB HIS A 452 53.532 1.373 -3.690 1.00 0.00 C ATOM 681 CG HIS A 452 54.371 2.619 -3.834 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.538 2.635 -4.586 1.00 0.00 N ATOM 683 CD2 HIS A 452 54.223 3.897 -3.354 1.00 0.00 C ATOM 684 CE1 HIS A 452 56.037 3.884 -4.533 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.273 4.687 -3.794 1.00 0.00 N ATOM 0 H HIS A 452 53.298 3.087 -1.511 1.00 0.00 H new ATOM 0 HA HIS A 452 52.525 0.241 -2.130 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.056 0.526 -4.134 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.599 1.495 -4.241 1.00 0.00 H new ATOM 0 HD1 HIS A 452 55.943 1.844 -5.087 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.411 4.235 -2.728 1.00 0.00 H new ATOM 0 HE1 HIS A 452 56.944 4.196 -5.028 1.00 0.00 H new ATOM 693 N TRP A 453 55.056 -0.439 -1.847 1.00 0.00 N ATOM 694 CA TRP A 453 56.289 -0.922 -1.181 1.00 0.00 C ATOM 695 C TRP A 453 57.523 -0.563 -2.015 1.00 0.00 C ATOM 696 O TRP A 453 57.544 -0.749 -3.216 1.00 0.00 O ATOM 697 CB TRP A 453 56.105 -2.434 -1.122 1.00 0.00 C ATOM 698 CG TRP A 453 55.060 -2.768 -0.107 1.00 0.00 C ATOM 699 CD1 TRP A 453 53.752 -2.981 -0.381 1.00 0.00 C ATOM 700 CD2 TRP A 453 55.209 -2.931 1.333 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.089 -3.263 0.800 1.00 0.00 N ATOM 702 CE2 TRP A 453 53.943 -3.244 1.884 1.00 0.00 C ATOM 703 CE3 TRP A 453 56.307 -2.837 2.206 1.00 0.00 C ATOM 704 CZ2 TRP A 453 53.774 -3.457 3.253 1.00 0.00 C ATOM 705 CZ3 TRP A 453 56.140 -3.052 3.585 1.00 0.00 C ATOM 706 CH2 TRP A 453 54.876 -3.361 4.107 1.00 0.00 C ATOM 0 H TRP A 453 54.709 -1.039 -2.595 1.00 0.00 H new ATOM 0 HA TRP A 453 56.440 -0.477 -0.197 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.812 -2.814 -2.101 1.00 0.00 H new ATOM 0 HB3 TRP A 453 57.047 -2.916 -0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.300 -2.938 -1.361 1.00 0.00 H new ATOM 0 HE1 TRP A 453 52.090 -3.461 0.862 1.00 0.00 H new ATOM 0 HE3 TRP A 453 57.285 -2.598 1.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 52.798 -3.694 3.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 56.991 -2.979 4.246 1.00 0.00 H new ATOM 0 HH2 TRP A 453 54.754 -3.525 5.168 1.00 0.00 H new ATOM 717 N VAL A 454 58.552 -0.053 -1.387 1.00 0.00 N ATOM 718 CA VAL A 454 59.785 0.314 -2.151 1.00 0.00 C ATOM 719 C VAL A 454 61.023 0.234 -1.248 1.00 0.00 C ATOM 720 O VAL A 454 60.957 0.497 -0.064 1.00 0.00 O ATOM 721 CB VAL A 454 59.553 1.752 -2.635 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.498 1.756 -3.741 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.072 2.622 -1.476 1.00 0.00 C ATOM 0 H VAL A 454 58.593 0.125 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 454 59.964 -0.366 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 454 60.491 2.152 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.334 2.778 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.843 1.144 -4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.564 1.349 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 454 58.910 3.641 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.138 2.221 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 454 59.825 2.626 -0.688 1.00 0.00 H new ATOM 733 N HIS A 455 62.152 -0.135 -1.803 1.00 0.00 N ATOM 734 CA HIS A 455 63.406 -0.244 -0.987 1.00 0.00 C ATOM 735 C HIS A 455 63.626 1.034 -0.168 1.00 0.00 C ATOM 736 O HIS A 455 63.047 2.066 -0.446 1.00 0.00 O ATOM 737 CB HIS A 455 64.546 -0.429 -1.999 1.00 0.00 C ATOM 738 CG HIS A 455 64.238 -1.571 -2.919 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.133 -1.412 -4.307 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.966 -2.886 -2.667 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.796 -2.613 -4.827 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.690 -3.515 -3.864 1.00 0.00 N ATOM 0 H HIS A 455 62.261 -0.367 -2.790 1.00 0.00 H new ATOM 0 HA HIS A 455 63.353 -1.073 -0.281 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.683 0.486 -2.576 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.482 -0.618 -1.473 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.967 -3.355 -1.694 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.636 -2.809 -5.877 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.448 -4.498 -3.985 1.00 0.00 H new ATOM 750 N ALA A 456 64.457 0.971 0.839 1.00 0.00 N ATOM 751 CA ALA A 456 64.713 2.178 1.678 1.00 0.00 C ATOM 752 C ALA A 456 66.017 2.860 1.252 1.00 0.00 C ATOM 753 O ALA A 456 66.028 4.016 0.874 1.00 0.00 O ATOM 754 CB ALA A 456 64.830 1.648 3.107 1.00 0.00 C ATOM 0 H ALA A 456 64.970 0.134 1.117 1.00 0.00 H new ATOM 0 HA ALA A 456 63.922 2.921 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 456 65.019 2.477 3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.901 1.152 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.653 0.936 3.165 1.00 0.00 H new ATOM 760 N GLN A 457 67.116 2.153 1.312 1.00 0.00 N ATOM 761 CA GLN A 457 68.423 2.760 0.914 1.00 0.00 C ATOM 762 C GLN A 457 68.350 3.302 -0.520 1.00 0.00 C ATOM 763 O GLN A 457 69.124 4.157 -0.907 1.00 0.00 O ATOM 764 CB GLN A 457 69.438 1.618 1.011 1.00 0.00 C ATOM 765 CG GLN A 457 70.822 2.120 0.592 1.00 0.00 C ATOM 766 CD GLN A 457 71.799 0.944 0.540 1.00 0.00 C ATOM 767 OE1 GLN A 457 72.868 1.000 1.116 1.00 0.00 O ATOM 768 NE2 GLN A 457 71.476 -0.128 -0.131 1.00 0.00 N ATOM 0 H GLN A 457 67.166 1.182 1.619 1.00 0.00 H new ATOM 0 HA GLN A 457 68.696 3.601 1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.473 1.235 2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 457 69.131 0.791 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 457 70.765 2.602 -0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 457 71.177 2.870 1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 457 70.579 -0.176 -0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 457 72.120 -0.918 -0.172 1.00 0.00 H new ATOM 777 N CYS A 458 67.427 2.816 -1.308 1.00 0.00 N ATOM 778 CA CYS A 458 67.307 3.309 -2.714 1.00 0.00 C ATOM 779 C CYS A 458 67.104 4.828 -2.723 1.00 0.00 C ATOM 780 O CYS A 458 67.474 5.508 -3.660 1.00 0.00 O ATOM 781 CB CYS A 458 66.073 2.604 -3.281 1.00 0.00 C ATOM 782 SG CYS A 458 66.587 1.181 -4.274 1.00 0.00 S ATOM 0 H CYS A 458 66.752 2.100 -1.040 1.00 0.00 H new ATOM 0 HA CYS A 458 68.201 3.100 -3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.423 2.278 -2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.495 3.297 -3.893 1.00 0.00 H new ATOM 787 N MET A 459 66.520 5.362 -1.683 1.00 0.00 N ATOM 788 CA MET A 459 66.289 6.835 -1.626 1.00 0.00 C ATOM 789 C MET A 459 67.282 7.482 -0.656 1.00 0.00 C ATOM 790 O MET A 459 66.954 8.415 0.051 1.00 0.00 O ATOM 791 CB MET A 459 64.855 7.004 -1.112 1.00 0.00 C ATOM 792 CG MET A 459 63.900 6.112 -1.914 1.00 0.00 C ATOM 793 SD MET A 459 63.921 6.605 -3.655 1.00 0.00 S ATOM 794 CE MET A 459 62.784 5.334 -4.262 1.00 0.00 C ATOM 0 H MET A 459 66.193 4.841 -0.870 1.00 0.00 H new ATOM 0 HA MET A 459 66.427 7.310 -2.598 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.806 6.744 -0.055 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.550 8.047 -1.198 1.00 0.00 H new ATOM 0 HG2 MET A 459 64.196 5.067 -1.818 1.00 0.00 H new ATOM 0 HG3 MET A 459 62.889 6.194 -1.515 1.00 0.00 H new ATOM 0 HE1 MET A 459 63.199 4.872 -5.157 1.00 0.00 H new ATOM 0 HE2 MET A 459 62.644 4.574 -3.493 1.00 0.00 H new ATOM 0 HE3 MET A 459 61.823 5.790 -4.501 1.00 0.00 H new ATOM 804 N ASP A 460 68.494 6.992 -0.617 1.00 0.00 N ATOM 805 CA ASP A 460 69.515 7.572 0.309 1.00 0.00 C ATOM 806 C ASP A 460 68.971 7.614 1.741 1.00 0.00 C ATOM 807 O ASP A 460 68.943 8.651 2.376 1.00 0.00 O ATOM 808 CB ASP A 460 69.776 8.988 -0.211 1.00 0.00 C ATOM 809 CG ASP A 460 70.996 8.977 -1.134 1.00 0.00 C ATOM 810 OD1 ASP A 460 71.141 8.024 -1.881 1.00 0.00 O ATOM 811 OD2 ASP A 460 71.765 9.923 -1.077 1.00 0.00 O ATOM 0 H ASP A 460 68.822 6.213 -1.188 1.00 0.00 H new ATOM 0 HA ASP A 460 70.428 6.978 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 460 68.903 9.356 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 460 69.945 9.668 0.624 1.00 0.00 H new ATOM 816 N LEU A 461 68.537 6.492 2.252 1.00 0.00 N ATOM 817 CA LEU A 461 67.992 6.460 3.640 1.00 0.00 C ATOM 818 C LEU A 461 69.081 6.035 4.628 1.00 0.00 C ATOM 819 O LEU A 461 70.240 5.919 4.277 1.00 0.00 O ATOM 820 CB LEU A 461 66.871 5.421 3.601 1.00 0.00 C ATOM 821 CG LEU A 461 65.520 6.125 3.464 1.00 0.00 C ATOM 822 CD1 LEU A 461 64.429 5.089 3.187 1.00 0.00 C ATOM 823 CD2 LEU A 461 65.200 6.868 4.763 1.00 0.00 C ATOM 0 H LEU A 461 68.537 5.595 1.767 1.00 0.00 H new ATOM 0 HA LEU A 461 67.633 7.437 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 461 67.023 4.739 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.888 4.819 4.510 1.00 0.00 H new ATOM 0 HG LEU A 461 65.563 6.836 2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 461 63.467 5.591 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 461 64.657 4.559 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.385 4.378 4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 461 64.237 7.370 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 461 65.158 6.157 5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 461 65.977 7.607 4.960 1.00 0.00 H new ATOM 835 N GLU A 462 68.717 5.801 5.860 1.00 0.00 N ATOM 836 CA GLU A 462 69.726 5.382 6.874 1.00 0.00 C ATOM 837 C GLU A 462 69.143 4.293 7.780 1.00 0.00 C ATOM 838 O GLU A 462 67.942 4.119 7.859 1.00 0.00 O ATOM 839 CB GLU A 462 70.028 6.646 7.679 1.00 0.00 C ATOM 840 CG GLU A 462 71.252 6.406 8.565 1.00 0.00 C ATOM 841 CD GLU A 462 71.827 7.751 9.016 1.00 0.00 C ATOM 842 OE1 GLU A 462 72.274 8.497 8.161 1.00 0.00 O ATOM 843 OE2 GLU A 462 71.810 8.011 10.207 1.00 0.00 O ATOM 0 H GLU A 462 67.762 5.882 6.208 1.00 0.00 H new ATOM 0 HA GLU A 462 70.624 4.967 6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 462 70.212 7.483 7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 462 69.168 6.913 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 462 70.974 5.808 9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 462 72.006 5.841 8.017 1.00 0.00 H new ATOM 850 N GLU A 463 69.983 3.563 8.464 1.00 0.00 N ATOM 851 CA GLU A 463 69.474 2.488 9.365 1.00 0.00 C ATOM 852 C GLU A 463 68.645 3.098 10.498 1.00 0.00 C ATOM 853 O GLU A 463 67.628 2.561 10.894 1.00 0.00 O ATOM 854 CB GLU A 463 70.725 1.807 9.922 1.00 0.00 C ATOM 855 CG GLU A 463 70.449 0.315 10.120 1.00 0.00 C ATOM 856 CD GLU A 463 71.773 -0.451 10.143 1.00 0.00 C ATOM 857 OE1 GLU A 463 72.417 -0.512 9.109 1.00 0.00 O ATOM 858 OE2 GLU A 463 72.120 -0.964 11.195 1.00 0.00 O ATOM 0 H GLU A 463 70.998 3.664 8.438 1.00 0.00 H new ATOM 0 HA GLU A 463 68.828 1.783 8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 463 71.562 1.945 9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.009 2.264 10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 463 69.908 0.155 11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 463 69.815 -0.058 9.316 1.00 0.00 H new ATOM 865 N ARG A 464 69.069 4.218 11.018 1.00 0.00 N ATOM 866 CA ARG A 464 68.305 4.866 12.124 1.00 0.00 C ATOM 867 C ARG A 464 66.949 5.352 11.608 1.00 0.00 C ATOM 868 O ARG A 464 65.913 4.992 12.131 1.00 0.00 O ATOM 869 CB ARG A 464 69.168 6.050 12.571 1.00 0.00 C ATOM 870 CG ARG A 464 69.372 5.995 14.086 1.00 0.00 C ATOM 871 CD ARG A 464 68.041 6.267 14.793 1.00 0.00 C ATOM 872 NE ARG A 464 68.362 6.220 16.246 1.00 0.00 N ATOM 873 CZ ARG A 464 68.780 7.294 16.857 1.00 0.00 C ATOM 874 NH1 ARG A 464 67.955 8.281 17.081 1.00 0.00 N ATOM 875 NH2 ARG A 464 70.023 7.384 17.245 1.00 0.00 N ATOM 0 H ARG A 464 69.911 4.713 10.725 1.00 0.00 H new ATOM 0 HA ARG A 464 68.107 4.179 12.947 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.132 6.022 12.063 1.00 0.00 H new ATOM 0 HB3 ARG A 464 68.688 6.988 12.293 1.00 0.00 H new ATOM 0 HG2 ARG A 464 69.756 5.017 14.376 1.00 0.00 H new ATOM 0 HG3 ARG A 464 70.115 6.733 14.390 1.00 0.00 H new ATOM 0 HD2 ARG A 464 67.634 7.238 14.510 1.00 0.00 H new ATOM 0 HD3 ARG A 464 67.293 5.519 14.529 1.00 0.00 H new ATOM 0 HE ARG A 464 68.255 5.348 16.764 1.00 0.00 H new ATOM 0 HH11 ARG A 464 66.983 8.212 16.778 1.00 0.00 H new ATOM 0 HH12 ARG A 464 68.282 9.121 17.559 1.00 0.00 H new ATOM 0 HH21 ARG A 464 70.669 6.614 17.071 1.00 0.00 H new ATOM 0 HH22 ARG A 464 70.349 8.224 17.723 1.00 0.00 H new ATOM 889 N THR A 465 66.949 6.165 10.581 1.00 0.00 N ATOM 890 CA THR A 465 65.660 6.679 10.023 1.00 0.00 C ATOM 891 C THR A 465 64.663 5.530 9.839 1.00 0.00 C ATOM 892 O THR A 465 63.481 5.682 10.073 1.00 0.00 O ATOM 893 CB THR A 465 66.028 7.294 8.671 1.00 0.00 C ATOM 894 OG1 THR A 465 67.245 8.016 8.796 1.00 0.00 O ATOM 895 CG2 THR A 465 64.915 8.239 8.217 1.00 0.00 C ATOM 0 H THR A 465 67.788 6.496 10.104 1.00 0.00 H new ATOM 0 HA THR A 465 65.186 7.404 10.684 1.00 0.00 H new ATOM 0 HB THR A 465 66.150 6.501 7.933 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.483 8.409 7.930 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.179 8.676 7.254 1.00 0.00 H new ATOM 0 HG22 THR A 465 63.983 7.683 8.120 1.00 0.00 H new ATOM 0 HG23 THR A 465 64.789 9.033 8.953 1.00 0.00 H new ATOM 903 N LEU A 466 65.134 4.381 9.436 1.00 0.00 N ATOM 904 CA LEU A 466 64.212 3.222 9.258 1.00 0.00 C ATOM 905 C LEU A 466 63.652 2.814 10.622 1.00 0.00 C ATOM 906 O LEU A 466 62.487 2.496 10.754 1.00 0.00 O ATOM 907 CB LEU A 466 65.076 2.102 8.668 1.00 0.00 C ATOM 908 CG LEU A 466 64.400 1.538 7.417 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.379 0.622 6.678 1.00 0.00 C ATOM 910 CD2 LEU A 466 63.163 0.736 7.824 1.00 0.00 C ATOM 0 H LEU A 466 66.114 4.195 9.223 1.00 0.00 H new ATOM 0 HA LEU A 466 63.366 3.451 8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.065 2.485 8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 466 65.218 1.311 9.405 1.00 0.00 H new ATOM 0 HG LEU A 466 64.104 2.358 6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 466 64.898 0.220 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 466 66.262 1.191 6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 466 65.675 -0.198 7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 466 62.681 0.334 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 466 63.460 -0.084 8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 466 62.465 1.386 8.352 1.00 0.00 H new ATOM 922 N ILE A 467 64.471 2.846 11.642 1.00 0.00 N ATOM 923 CA ILE A 467 63.977 2.487 13.002 1.00 0.00 C ATOM 924 C ILE A 467 62.964 3.541 13.437 1.00 0.00 C ATOM 925 O ILE A 467 61.874 3.239 13.883 1.00 0.00 O ATOM 926 CB ILE A 467 65.228 2.498 13.905 1.00 0.00 C ATOM 927 CG1 ILE A 467 65.240 1.231 14.764 1.00 0.00 C ATOM 928 CG2 ILE A 467 65.236 3.732 14.825 1.00 0.00 C ATOM 929 CD1 ILE A 467 65.918 0.096 13.993 1.00 0.00 C ATOM 0 H ILE A 467 65.456 3.104 11.591 1.00 0.00 H new ATOM 0 HA ILE A 467 63.483 1.516 13.045 1.00 0.00 H new ATOM 0 HB ILE A 467 66.112 2.535 13.269 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.770 1.417 15.698 1.00 0.00 H new ATOM 0 HG13 ILE A 467 64.221 0.948 15.027 1.00 0.00 H new ATOM 0 HG21 ILE A 467 66.129 3.714 15.450 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.236 4.638 14.219 1.00 0.00 H new ATOM 0 HG23 ILE A 467 64.349 3.719 15.458 1.00 0.00 H new ATOM 0 HD11 ILE A 467 65.926 -0.806 14.605 1.00 0.00 H new ATOM 0 HD12 ILE A 467 65.369 -0.096 13.071 1.00 0.00 H new ATOM 0 HD13 ILE A 467 66.942 0.381 13.753 1.00 0.00 H new ATOM 941 N HIS A 468 63.330 4.783 13.295 1.00 0.00 N ATOM 942 CA HIS A 468 62.421 5.888 13.680 1.00 0.00 C ATOM 943 C HIS A 468 61.121 5.762 12.883 1.00 0.00 C ATOM 944 O HIS A 468 60.034 5.872 13.418 1.00 0.00 O ATOM 945 CB HIS A 468 63.189 7.160 13.297 1.00 0.00 C ATOM 946 CG HIS A 468 62.309 8.359 13.477 1.00 0.00 C ATOM 947 ND1 HIS A 468 62.657 9.433 14.279 1.00 0.00 N ATOM 948 CD2 HIS A 468 61.087 8.662 12.952 1.00 0.00 C ATOM 949 CE1 HIS A 468 61.654 10.328 14.212 1.00 0.00 C ATOM 950 NE2 HIS A 468 60.669 9.907 13.414 1.00 0.00 N ATOM 0 H HIS A 468 64.232 5.080 12.924 1.00 0.00 H new ATOM 0 HA HIS A 468 62.150 5.887 14.736 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.082 7.257 13.915 1.00 0.00 H new ATOM 0 HB3 HIS A 468 63.524 7.096 12.262 1.00 0.00 H new ATOM 0 HD1 HIS A 468 63.516 9.528 14.821 1.00 0.00 H new ATOM 0 HD2 HIS A 468 60.527 8.030 12.278 1.00 0.00 H new ATOM 0 HE1 HIS A 468 61.646 11.271 14.739 1.00 0.00 H new ATOM 958 N LEU A 469 61.236 5.521 11.609 1.00 0.00 N ATOM 959 CA LEU A 469 60.024 5.375 10.756 1.00 0.00 C ATOM 960 C LEU A 469 59.219 4.143 11.186 1.00 0.00 C ATOM 961 O LEU A 469 58.061 4.000 10.846 1.00 0.00 O ATOM 962 CB LEU A 469 60.569 5.205 9.338 1.00 0.00 C ATOM 963 CG LEU A 469 60.622 6.571 8.654 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.539 6.497 7.434 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.215 6.974 8.212 1.00 0.00 C ATOM 0 H LEU A 469 62.124 5.418 11.117 1.00 0.00 H new ATOM 0 HA LEU A 469 59.350 6.228 10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 469 61.564 4.761 9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 469 59.934 4.525 8.770 1.00 0.00 H new ATOM 0 HG LEU A 469 61.010 7.312 9.353 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.576 7.471 6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.542 6.211 7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.154 5.756 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.252 7.948 7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.827 6.233 7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.562 7.029 9.083 1.00 0.00 H new ATOM 977 N SER A 470 59.821 3.256 11.935 1.00 0.00 N ATOM 978 CA SER A 470 59.086 2.040 12.390 1.00 0.00 C ATOM 979 C SER A 470 58.477 2.275 13.778 1.00 0.00 C ATOM 980 O SER A 470 57.974 1.362 14.404 1.00 0.00 O ATOM 981 CB SER A 470 60.143 0.938 12.447 1.00 0.00 C ATOM 982 OG SER A 470 59.507 -0.310 12.690 1.00 0.00 O ATOM 0 H SER A 470 60.789 3.322 12.251 1.00 0.00 H new ATOM 0 HA SER A 470 58.263 1.782 11.724 1.00 0.00 H new ATOM 0 HB2 SER A 470 60.697 0.901 11.509 1.00 0.00 H new ATOM 0 HB3 SER A 470 60.865 1.151 13.235 1.00 0.00 H new ATOM 0 HG SER A 470 58.794 -0.191 13.352 1.00 0.00 H new ATOM 988 N GLU A 471 58.519 3.489 14.265 1.00 0.00 N ATOM 989 CA GLU A 471 57.943 3.775 15.613 1.00 0.00 C ATOM 990 C GLU A 471 56.416 3.670 15.567 1.00 0.00 C ATOM 991 O GLU A 471 55.775 3.379 16.559 1.00 0.00 O ATOM 992 CB GLU A 471 58.374 5.206 15.935 1.00 0.00 C ATOM 993 CG GLU A 471 58.255 5.449 17.441 1.00 0.00 C ATOM 994 CD GLU A 471 59.347 4.665 18.173 1.00 0.00 C ATOM 995 OE1 GLU A 471 60.453 4.609 17.662 1.00 0.00 O ATOM 996 OE2 GLU A 471 59.056 4.132 19.232 1.00 0.00 O ATOM 0 H GLU A 471 58.927 4.293 13.788 1.00 0.00 H new ATOM 0 HA GLU A 471 58.288 3.068 16.368 1.00 0.00 H new ATOM 0 HB2 GLU A 471 59.401 5.369 15.610 1.00 0.00 H new ATOM 0 HB3 GLU A 471 57.751 5.916 15.391 1.00 0.00 H new ATOM 0 HG2 GLU A 471 58.350 6.513 17.657 1.00 0.00 H new ATOM 0 HG3 GLU A 471 57.271 5.139 17.794 1.00 0.00 H new ATOM 1003 N GLY A 472 55.829 3.905 14.424 1.00 0.00 N ATOM 1004 CA GLY A 472 54.344 3.821 14.313 1.00 0.00 C ATOM 1005 C GLY A 472 53.875 4.608 13.089 1.00 0.00 C ATOM 1006 O GLY A 472 53.505 4.042 12.079 1.00 0.00 O ATOM 0 H GLY A 472 56.314 4.152 13.562 1.00 0.00 H new ATOM 0 HA2 GLY A 472 54.034 2.779 14.229 1.00 0.00 H new ATOM 0 HA3 GLY A 472 53.879 4.220 15.214 1.00 0.00 H new ATOM 1010 N SER A 473 53.888 5.911 13.171 1.00 0.00 N ATOM 1011 CA SER A 473 53.442 6.740 12.013 1.00 0.00 C ATOM 1012 C SER A 473 54.486 7.816 11.699 1.00 0.00 C ATOM 1013 O SER A 473 55.214 8.258 12.566 1.00 0.00 O ATOM 1014 CB SER A 473 52.134 7.384 12.468 1.00 0.00 C ATOM 1015 OG SER A 473 51.619 8.193 11.419 1.00 0.00 O ATOM 0 H SER A 473 54.189 6.438 13.991 1.00 0.00 H new ATOM 0 HA SER A 473 53.313 6.147 11.107 1.00 0.00 H new ATOM 0 HB2 SER A 473 51.411 6.614 12.738 1.00 0.00 H new ATOM 0 HB3 SER A 473 52.304 7.988 13.359 1.00 0.00 H new ATOM 0 HG SER A 473 50.779 8.606 11.707 1.00 0.00 H new ATOM 1021 N ASN A 474 54.564 8.238 10.465 1.00 0.00 N ATOM 1022 CA ASN A 474 55.560 9.286 10.093 1.00 0.00 C ATOM 1023 C ASN A 474 55.260 9.828 8.692 1.00 0.00 C ATOM 1024 O ASN A 474 54.874 9.096 7.803 1.00 0.00 O ATOM 1025 CB ASN A 474 56.913 8.572 10.113 1.00 0.00 C ATOM 1026 CG ASN A 474 57.630 8.873 11.431 1.00 0.00 C ATOM 1027 OD1 ASN A 474 57.766 8.007 12.273 1.00 0.00 O ATOM 1028 ND2 ASN A 474 58.098 10.071 11.647 1.00 0.00 N ATOM 0 H ASN A 474 53.981 7.903 9.698 1.00 0.00 H new ATOM 0 HA ASN A 474 55.538 10.137 10.774 1.00 0.00 H new ATOM 0 HB2 ASN A 474 56.771 7.497 10.002 1.00 0.00 H new ATOM 0 HB3 ASN A 474 57.523 8.902 9.272 1.00 0.00 H new ATOM 0 HD21 ASN A 474 58.578 10.281 12.522 1.00 0.00 H new ATOM 0 HD22 ASN A 474 57.984 10.798 10.941 1.00 0.00 H new ATOM 1035 N LYS A 475 55.436 11.107 8.492 1.00 0.00 N ATOM 1036 CA LYS A 475 55.161 11.700 7.150 1.00 0.00 C ATOM 1037 C LYS A 475 56.297 11.364 6.180 1.00 0.00 C ATOM 1038 O LYS A 475 57.105 12.207 5.841 1.00 0.00 O ATOM 1039 CB LYS A 475 55.086 13.209 7.390 1.00 0.00 C ATOM 1040 CG LYS A 475 53.669 13.587 7.829 1.00 0.00 C ATOM 1041 CD LYS A 475 53.308 14.962 7.262 1.00 0.00 C ATOM 1042 CE LYS A 475 51.849 15.284 7.592 1.00 0.00 C ATOM 1043 NZ LYS A 475 51.054 14.564 6.559 1.00 0.00 N ATOM 0 H LYS A 475 55.758 11.767 9.200 1.00 0.00 H new ATOM 0 HA LYS A 475 54.243 11.313 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 475 55.805 13.502 8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 475 55.351 13.746 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 475 52.957 12.839 7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 475 53.606 13.603 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 475 53.964 15.724 7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 475 53.459 14.973 6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 475 51.588 14.949 8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 475 51.664 16.357 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 50.639 15.252 5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 51.673 13.912 6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 50.294 14.025 7.020 1.00 0.00 H new ATOM 1057 N TYR A 476 56.365 10.139 5.732 1.00 0.00 N ATOM 1058 CA TYR A 476 57.446 9.746 4.784 1.00 0.00 C ATOM 1059 C TYR A 476 56.856 9.441 3.404 1.00 0.00 C ATOM 1060 O TYR A 476 55.771 8.905 3.289 1.00 0.00 O ATOM 1061 CB TYR A 476 58.070 8.489 5.389 1.00 0.00 C ATOM 1062 CG TYR A 476 59.357 8.173 4.666 1.00 0.00 C ATOM 1063 CD1 TYR A 476 59.317 7.678 3.357 1.00 0.00 C ATOM 1064 CD2 TYR A 476 60.587 8.378 5.300 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.509 7.389 2.683 1.00 0.00 C ATOM 1066 CE2 TYR A 476 61.779 8.088 4.626 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.740 7.593 3.317 1.00 0.00 C ATOM 1068 OH TYR A 476 62.915 7.309 2.651 1.00 0.00 O ATOM 0 H TYR A 476 55.717 9.392 5.983 1.00 0.00 H new ATOM 0 HA TYR A 476 58.181 10.539 4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 476 58.264 8.640 6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 476 57.378 7.650 5.308 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.367 7.519 2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 476 60.617 8.760 6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.479 7.008 1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 476 62.729 8.246 5.116 1.00 0.00 H new ATOM 0 HH TYR A 476 63.523 8.075 2.719 1.00 0.00 H new ATOM 1078 N TYR A 477 57.562 9.780 2.359 1.00 0.00 N ATOM 1079 CA TYR A 477 57.043 9.513 0.986 1.00 0.00 C ATOM 1080 C TYR A 477 58.128 8.855 0.128 1.00 0.00 C ATOM 1081 O TYR A 477 59.232 8.619 0.580 1.00 0.00 O ATOM 1082 CB TYR A 477 56.677 10.887 0.425 1.00 0.00 C ATOM 1083 CG TYR A 477 55.514 11.456 1.203 1.00 0.00 C ATOM 1084 CD1 TYR A 477 55.735 12.083 2.435 1.00 0.00 C ATOM 1085 CD2 TYR A 477 54.215 11.357 0.692 1.00 0.00 C ATOM 1086 CE1 TYR A 477 54.658 12.612 3.156 1.00 0.00 C ATOM 1087 CE2 TYR A 477 53.136 11.886 1.412 1.00 0.00 C ATOM 1088 CZ TYR A 477 53.359 12.513 2.644 1.00 0.00 C ATOM 1089 OH TYR A 477 52.296 13.033 3.354 1.00 0.00 O ATOM 0 H TYR A 477 58.476 10.231 2.397 1.00 0.00 H new ATOM 0 HA TYR A 477 56.189 8.835 0.993 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.534 11.558 0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 477 56.416 10.803 -0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 477 56.737 12.159 2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 477 54.044 10.872 -0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 477 54.829 13.096 4.106 1.00 0.00 H new ATOM 0 HE2 TYR A 477 52.134 11.810 1.017 1.00 0.00 H new ATOM 0 HH TYR A 477 51.465 12.881 2.857 1.00 0.00 H new ATOM 1099 N CYS A 478 57.821 8.560 -1.108 1.00 0.00 N ATOM 1100 CA CYS A 478 58.831 7.919 -1.997 1.00 0.00 C ATOM 1101 C CYS A 478 59.522 8.988 -2.856 1.00 0.00 C ATOM 1102 O CYS A 478 59.444 10.166 -2.573 1.00 0.00 O ATOM 1103 CB CYS A 478 58.033 6.928 -2.859 1.00 0.00 C ATOM 1104 SG CYS A 478 57.243 7.787 -4.244 1.00 0.00 S ATOM 0 H CYS A 478 56.914 8.736 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 478 59.620 7.410 -1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.696 6.149 -3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.276 6.434 -2.250 1.00 0.00 H new ATOM 1109 N ASN A 479 60.197 8.585 -3.898 1.00 0.00 N ATOM 1110 CA ASN A 479 60.892 9.580 -4.769 1.00 0.00 C ATOM 1111 C ASN A 479 59.880 10.372 -5.604 1.00 0.00 C ATOM 1112 O ASN A 479 59.970 11.579 -5.721 1.00 0.00 O ATOM 1113 CB ASN A 479 61.795 8.748 -5.681 1.00 0.00 C ATOM 1114 CG ASN A 479 63.012 9.580 -6.091 1.00 0.00 C ATOM 1115 OD1 ASN A 479 63.867 9.870 -5.277 1.00 0.00 O ATOM 1116 ND2 ASN A 479 63.127 9.979 -7.328 1.00 0.00 N ATOM 0 H ASN A 479 60.298 7.611 -4.185 1.00 0.00 H new ATOM 0 HA ASN A 479 61.454 10.308 -4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.117 7.843 -5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.243 8.431 -6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 479 63.934 10.534 -7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 479 62.410 9.736 -8.011 1.00 0.00 H new ATOM 1123 N GLU A 480 58.926 9.702 -6.195 1.00 0.00 N ATOM 1124 CA GLU A 480 57.919 10.416 -7.037 1.00 0.00 C ATOM 1125 C GLU A 480 56.763 10.960 -6.186 1.00 0.00 C ATOM 1126 O GLU A 480 55.799 11.483 -6.712 1.00 0.00 O ATOM 1127 CB GLU A 480 57.407 9.357 -8.014 1.00 0.00 C ATOM 1128 CG GLU A 480 57.200 9.991 -9.391 1.00 0.00 C ATOM 1129 CD GLU A 480 56.060 9.274 -10.117 1.00 0.00 C ATOM 1130 OE1 GLU A 480 56.123 8.060 -10.222 1.00 0.00 O ATOM 1131 OE2 GLU A 480 55.144 9.950 -10.555 1.00 0.00 O ATOM 0 H GLU A 480 58.800 8.692 -6.132 1.00 0.00 H new ATOM 0 HA GLU A 480 58.356 11.277 -7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.120 8.536 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 480 56.470 8.935 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 480 56.968 11.051 -9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 480 58.117 9.923 -9.976 1.00 0.00 H new ATOM 1138 N HIS A 481 56.842 10.849 -4.886 1.00 0.00 N ATOM 1139 CA HIS A 481 55.733 11.370 -4.030 1.00 0.00 C ATOM 1140 C HIS A 481 56.289 12.264 -2.917 1.00 0.00 C ATOM 1141 O HIS A 481 55.664 12.450 -1.891 1.00 0.00 O ATOM 1142 CB HIS A 481 55.064 10.128 -3.442 1.00 0.00 C ATOM 1143 CG HIS A 481 54.469 9.305 -4.553 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.547 7.905 -4.572 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.788 9.661 -5.696 1.00 0.00 C ATOM 1146 CE1 HIS A 481 53.932 7.479 -5.694 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.467 8.508 -6.385 1.00 0.00 N ATOM 0 H HIS A 481 57.620 10.424 -4.382 1.00 0.00 H new ATOM 0 HA HIS A 481 55.030 11.979 -4.598 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.793 9.537 -2.888 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.287 10.420 -2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.547 10.669 -6.001 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.833 6.444 -5.987 1.00 0.00 H new ATOM 0 HE2 HIS A 481 52.961 8.458 -7.269 1.00 0.00 H new ATOM 1155 N VAL A 482 57.454 12.823 -3.111 1.00 0.00 N ATOM 1156 CA VAL A 482 58.043 13.709 -2.063 1.00 0.00 C ATOM 1157 C VAL A 482 57.849 15.177 -2.442 1.00 0.00 C ATOM 1158 O VAL A 482 57.747 16.044 -1.595 1.00 0.00 O ATOM 1159 CB VAL A 482 59.532 13.346 -2.022 1.00 0.00 C ATOM 1160 CG1 VAL A 482 60.229 13.829 -3.299 1.00 0.00 C ATOM 1161 CG2 VAL A 482 60.181 14.011 -0.807 1.00 0.00 C ATOM 0 H VAL A 482 58.023 12.705 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 482 57.569 13.572 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 482 59.633 12.263 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 482 61.286 13.566 -3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 482 59.770 13.354 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 482 60.128 14.911 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 482 61.240 13.755 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 482 60.071 15.093 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 482 59.695 13.660 0.103 1.00 0.00 H new ATOM 1171 N GLN A 483 57.798 15.452 -3.710 1.00 0.00 N ATOM 1172 CA GLN A 483 57.610 16.859 -4.171 1.00 0.00 C ATOM 1173 C GLN A 483 56.714 16.891 -5.412 1.00 0.00 C ATOM 1174 O GLN A 483 57.143 17.252 -6.491 1.00 0.00 O ATOM 1175 CB GLN A 483 59.018 17.361 -4.508 1.00 0.00 C ATOM 1176 CG GLN A 483 59.650 16.459 -5.575 1.00 0.00 C ATOM 1177 CD GLN A 483 60.304 17.324 -6.656 1.00 0.00 C ATOM 1178 OE1 GLN A 483 61.024 18.254 -6.352 1.00 0.00 O ATOM 1179 NE2 GLN A 483 60.081 17.054 -7.913 1.00 0.00 N ATOM 0 H GLN A 483 57.879 14.761 -4.456 1.00 0.00 H new ATOM 0 HA GLN A 483 57.129 17.481 -3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 483 58.971 18.388 -4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 483 59.637 17.366 -3.611 1.00 0.00 H new ATOM 0 HG2 GLN A 483 60.393 15.805 -5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 483 58.890 15.817 -6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 483 59.476 16.273 -8.167 1.00 0.00 H new ATOM 0 HE22 GLN A 483 60.511 17.624 -8.641 1.00 0.00 H new ATOM 1188 N ILE A 484 55.471 16.515 -5.266 1.00 0.00 N ATOM 1189 CA ILE A 484 54.544 16.521 -6.435 1.00 0.00 C ATOM 1190 C ILE A 484 53.542 17.673 -6.313 1.00 0.00 C ATOM 1191 O ILE A 484 52.347 17.487 -6.433 1.00 0.00 O ATOM 1192 CB ILE A 484 53.833 15.165 -6.381 1.00 0.00 C ATOM 1193 CG1 ILE A 484 52.849 15.055 -7.548 1.00 0.00 C ATOM 1194 CG2 ILE A 484 53.072 15.028 -5.059 1.00 0.00 C ATOM 1195 CD1 ILE A 484 52.729 13.592 -7.979 1.00 0.00 C ATOM 0 H ILE A 484 55.058 16.204 -4.387 1.00 0.00 H new ATOM 0 HA ILE A 484 55.067 16.665 -7.380 1.00 0.00 H new ATOM 0 HB ILE A 484 54.575 14.370 -6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 484 51.873 15.439 -7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 484 53.191 15.665 -8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 484 52.569 14.062 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 484 53.772 15.100 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 484 52.332 15.825 -4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 484 52.028 13.514 -8.810 1.00 0.00 H new ATOM 0 HD12 ILE A 484 53.706 13.224 -8.292 1.00 0.00 H new ATOM 0 HD13 ILE A 484 52.367 12.995 -7.142 1.00 0.00 H new ATOM 1207 N ALA A 485 54.022 18.866 -6.076 1.00 0.00 N ATOM 1208 CA ALA A 485 53.100 20.032 -5.948 1.00 0.00 C ATOM 1209 C ALA A 485 52.320 20.237 -7.250 1.00 0.00 C ATOM 1210 O ALA A 485 52.893 20.336 -8.318 1.00 0.00 O ATOM 1211 CB ALA A 485 54.008 21.232 -5.674 1.00 0.00 C ATOM 0 H ALA A 485 55.013 19.083 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 485 52.365 19.889 -5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 485 53.401 22.131 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 485 54.569 21.062 -4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 485 54.703 21.360 -6.504 1.00 0.00 H new ATOM 1217 N ARG A 486 51.018 20.299 -7.168 1.00 0.00 N ATOM 1218 CA ARG A 486 50.199 20.497 -8.399 1.00 0.00 C ATOM 1219 C ARG A 486 49.677 21.936 -8.462 1.00 0.00 C ATOM 1220 O ARG A 486 50.063 22.779 -7.675 1.00 0.00 O ATOM 1221 CB ARG A 486 49.037 19.512 -8.263 1.00 0.00 C ATOM 1222 CG ARG A 486 49.386 18.209 -8.984 1.00 0.00 C ATOM 1223 CD ARG A 486 48.378 17.124 -8.597 1.00 0.00 C ATOM 1224 NE ARG A 486 48.759 15.936 -9.409 1.00 0.00 N ATOM 1225 CZ ARG A 486 47.878 15.364 -10.182 1.00 0.00 C ATOM 1226 NH1 ARG A 486 47.079 16.093 -10.912 1.00 0.00 N ATOM 1227 NH2 ARG A 486 47.794 14.063 -10.224 1.00 0.00 N ATOM 0 H ARG A 486 50.486 20.221 -6.301 1.00 0.00 H new ATOM 0 HA ARG A 486 50.774 20.328 -9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 486 48.835 19.315 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 486 48.130 19.943 -8.687 1.00 0.00 H new ATOM 0 HG2 ARG A 486 49.373 18.364 -10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 486 50.395 17.894 -8.719 1.00 0.00 H new ATOM 0 HD2 ARG A 486 48.425 16.904 -7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 486 47.357 17.439 -8.813 1.00 0.00 H new ATOM 0 HE ARG A 486 49.710 15.569 -9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 486 47.143 17.110 -10.878 1.00 0.00 H new ATOM 0 HH12 ARG A 486 46.390 15.645 -11.517 1.00 0.00 H new ATOM 0 HH21 ARG A 486 48.417 13.493 -9.652 1.00 0.00 H new ATOM 0 HH22 ARG A 486 47.105 13.616 -10.829 1.00 0.00 H new ATOM 1241 N ALA A 487 48.805 22.220 -9.391 1.00 0.00 N ATOM 1242 CA ALA A 487 48.257 23.603 -9.505 1.00 0.00 C ATOM 1243 C ALA A 487 47.146 23.819 -8.474 1.00 0.00 C ATOM 1244 O ALA A 487 47.186 23.165 -7.445 1.00 0.00 O ATOM 1245 CB ALA A 487 47.697 23.693 -10.925 1.00 0.00 C ATOM 1246 OXT ALA A 487 46.275 24.633 -8.732 1.00 0.00 O ATOM 0 H ALA A 487 48.448 21.554 -10.076 1.00 0.00 H new ATOM 0 HA ALA A 487 49.015 24.364 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 487 47.274 24.684 -11.087 1.00 0.00 H new ATOM 0 HB2 ALA A 487 48.498 23.518 -11.644 1.00 0.00 H new ATOM 0 HB3 ALA A 487 46.919 22.941 -11.058 1.00 0.00 H new TER 1252 ALA A 487 HETATM 1253 ZN ZN A 488 64.649 0.322 -5.291 1.00 0.00 ZN HETATM 1254 ZN ZN A 489 55.456 6.645 -3.245 1.00 0.00 ZN