USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 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 420 CYS SG : rot -85:sc= -1.02 USER MOD Set 1.2: A 422 THR OG1 : rot 180:sc= 0.00661 USER MOD Single : A 410 SER OG : rot -65:sc= 0.0686 USER MOD Single : A 415 TYR OH : rot -56:sc= 0.326 USER MOD Single : A 418 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 180:sc= 0 USER MOD Single : A 434 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 ASN : amide:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -152:sc= -2.98 (180deg=-6.85!) USER MOD Single : A 445 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 448 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-4.2!) USER MOD Single : A 457 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 459 MET CE :methyl 134:sc= -1.57 (180deg=-2.48!) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.00254 USER MOD Single : A 468 HIS : no HD1:sc= -2.52! K(o=-2.5!,f=-1) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 474 ASN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 15:sc= 0 USER MOD Single : A 477 TYR OH : rot 42:sc= 0.174 USER MOD Single : A 479 ASN : amide:sc= -3.6 X(o=-3.6,f=-4!) USER MOD Single : A 483 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 406 47.356 -17.451 11.286 1.00 0.00 N ATOM 2 CA GLY A 406 47.729 -16.144 11.901 1.00 0.00 C ATOM 3 C GLY A 406 48.611 -15.354 10.930 1.00 0.00 C ATOM 4 O GLY A 406 49.821 -15.426 10.995 1.00 0.00 O ATOM 0 HA2 GLY A 406 46.832 -15.573 12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 406 48.260 -16.310 12.838 1.00 0.00 H new ATOM 10 N PRO A 407 47.971 -14.620 10.055 1.00 0.00 N ATOM 11 CA PRO A 407 48.713 -13.807 9.059 1.00 0.00 C ATOM 12 C PRO A 407 49.365 -12.598 9.737 1.00 0.00 C ATOM 13 O PRO A 407 48.773 -11.955 10.582 1.00 0.00 O ATOM 14 CB PRO A 407 47.631 -13.363 8.079 1.00 0.00 C ATOM 15 CG PRO A 407 46.357 -13.404 8.861 1.00 0.00 C ATOM 16 CD PRO A 407 46.517 -14.476 9.909 1.00 0.00 C ATOM 0 HA PRO A 407 49.520 -14.356 8.573 1.00 0.00 H new ATOM 0 HB2 PRO A 407 47.829 -12.360 7.701 1.00 0.00 H new ATOM 0 HB3 PRO A 407 47.585 -14.026 7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 407 46.158 -12.438 9.325 1.00 0.00 H new ATOM 0 HG3 PRO A 407 45.512 -13.625 8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 407 46.049 -14.187 10.850 1.00 0.00 H new ATOM 0 HD3 PRO A 407 46.053 -15.412 9.596 1.00 0.00 H new ATOM 24 N LEU A 408 50.578 -12.283 9.368 1.00 0.00 N ATOM 25 CA LEU A 408 51.270 -11.116 9.988 1.00 0.00 C ATOM 26 C LEU A 408 51.112 -9.878 9.101 1.00 0.00 C ATOM 27 O LEU A 408 52.027 -9.480 8.407 1.00 0.00 O ATOM 28 CB LEU A 408 52.739 -11.529 10.078 1.00 0.00 C ATOM 29 CG LEU A 408 53.429 -10.723 11.178 1.00 0.00 C ATOM 30 CD1 LEU A 408 53.177 -11.388 12.533 1.00 0.00 C ATOM 31 CD2 LEU A 408 54.935 -10.677 10.905 1.00 0.00 C ATOM 0 H LEU A 408 51.120 -12.784 8.664 1.00 0.00 H new ATOM 0 HA LEU A 408 50.859 -10.861 10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 408 52.816 -12.595 10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 408 53.235 -11.359 9.122 1.00 0.00 H new ATOM 0 HG LEU A 408 53.029 -9.709 11.192 1.00 0.00 H new ATOM 0 HD11 LEU A 408 53.669 -10.813 13.318 1.00 0.00 H new ATOM 0 HD12 LEU A 408 52.105 -11.423 12.727 1.00 0.00 H new ATOM 0 HD13 LEU A 408 53.577 -12.402 12.521 1.00 0.00 H new ATOM 0 HD21 LEU A 408 55.429 -10.103 11.688 1.00 0.00 H new ATOM 0 HD22 LEU A 408 55.334 -11.691 10.892 1.00 0.00 H new ATOM 0 HD23 LEU A 408 55.115 -10.204 9.940 1.00 0.00 H new ATOM 43 N GLY A 409 49.956 -9.269 9.120 1.00 0.00 N ATOM 44 CA GLY A 409 49.736 -8.058 8.279 1.00 0.00 C ATOM 45 C GLY A 409 49.441 -8.482 6.839 1.00 0.00 C ATOM 46 O GLY A 409 48.726 -9.435 6.597 1.00 0.00 O ATOM 0 H GLY A 409 49.155 -9.558 9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 409 48.905 -7.474 8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 409 50.618 -7.418 8.307 1.00 0.00 H new ATOM 50 N SER A 410 49.988 -7.783 5.881 1.00 0.00 N ATOM 51 CA SER A 410 49.741 -8.145 4.455 1.00 0.00 C ATOM 52 C SER A 410 51.072 -8.331 3.717 1.00 0.00 C ATOM 53 O SER A 410 51.364 -7.618 2.777 1.00 0.00 O ATOM 54 CB SER A 410 48.966 -6.962 3.875 1.00 0.00 C ATOM 55 OG SER A 410 48.508 -7.294 2.570 1.00 0.00 O ATOM 0 H SER A 410 50.596 -6.976 6.024 1.00 0.00 H new ATOM 0 HA SER A 410 49.191 -9.081 4.356 1.00 0.00 H new ATOM 0 HB2 SER A 410 48.121 -6.716 4.518 1.00 0.00 H new ATOM 0 HB3 SER A 410 49.604 -6.079 3.835 1.00 0.00 H new ATOM 0 HG SER A 410 49.277 -7.423 1.977 1.00 0.00 H new ATOM 61 N PRO A 411 51.840 -9.291 4.168 1.00 0.00 N ATOM 62 CA PRO A 411 53.154 -9.570 3.538 1.00 0.00 C ATOM 63 C PRO A 411 52.959 -10.244 2.177 1.00 0.00 C ATOM 64 O PRO A 411 52.108 -11.098 2.014 1.00 0.00 O ATOM 65 CB PRO A 411 53.831 -10.518 4.523 1.00 0.00 C ATOM 66 CG PRO A 411 52.710 -11.174 5.263 1.00 0.00 C ATOM 67 CD PRO A 411 51.565 -10.196 5.293 1.00 0.00 C ATOM 0 HA PRO A 411 53.740 -8.670 3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 411 54.445 -11.254 4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 411 54.489 -9.977 5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 411 52.413 -12.100 4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 411 53.018 -11.437 6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 411 50.606 -10.700 5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 411 51.526 -9.656 6.239 1.00 0.00 H new ATOM 75 N GLU A 412 53.741 -9.869 1.200 1.00 0.00 N ATOM 76 CA GLU A 412 53.600 -10.489 -0.150 1.00 0.00 C ATOM 77 C GLU A 412 54.784 -11.432 -0.425 1.00 0.00 C ATOM 78 O GLU A 412 54.865 -12.507 0.138 1.00 0.00 O ATOM 79 CB GLU A 412 53.585 -9.307 -1.125 1.00 0.00 C ATOM 80 CG GLU A 412 52.240 -8.585 -1.030 1.00 0.00 C ATOM 81 CD GLU A 412 52.014 -7.759 -2.298 1.00 0.00 C ATOM 82 OE1 GLU A 412 52.375 -8.235 -3.362 1.00 0.00 O ATOM 83 OE2 GLU A 412 51.484 -6.667 -2.183 1.00 0.00 O ATOM 0 H GLU A 412 54.471 -9.161 1.278 1.00 0.00 H new ATOM 0 HA GLU A 412 52.699 -11.095 -0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 412 54.397 -8.618 -0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 412 53.750 -9.660 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 412 51.435 -9.309 -0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 412 52.224 -7.937 -0.153 1.00 0.00 H new ATOM 90 N PHE A 413 55.703 -11.049 -1.280 1.00 0.00 N ATOM 91 CA PHE A 413 56.870 -11.934 -1.576 1.00 0.00 C ATOM 92 C PHE A 413 57.838 -11.231 -2.532 1.00 0.00 C ATOM 93 O PHE A 413 59.041 -11.374 -2.429 1.00 0.00 O ATOM 94 CB PHE A 413 56.275 -13.180 -2.242 1.00 0.00 C ATOM 95 CG PHE A 413 56.820 -14.421 -1.574 1.00 0.00 C ATOM 96 CD1 PHE A 413 58.203 -14.618 -1.480 1.00 0.00 C ATOM 97 CD2 PHE A 413 55.941 -15.377 -1.051 1.00 0.00 C ATOM 98 CE1 PHE A 413 58.706 -15.769 -0.862 1.00 0.00 C ATOM 99 CE2 PHE A 413 56.443 -16.528 -0.433 1.00 0.00 C ATOM 100 CZ PHE A 413 57.827 -16.724 -0.339 1.00 0.00 C ATOM 0 H PHE A 413 55.694 -10.162 -1.784 1.00 0.00 H new ATOM 0 HA PHE A 413 57.432 -12.184 -0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 413 55.188 -13.161 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 413 56.520 -13.189 -3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 413 58.882 -13.882 -1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 413 54.874 -15.226 -1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 413 59.773 -15.920 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 413 55.764 -17.264 -0.029 1.00 0.00 H new ATOM 0 HZ PHE A 413 58.216 -17.612 0.137 1.00 0.00 H new ATOM 110 N GLY A 414 57.321 -10.473 -3.463 1.00 0.00 N ATOM 111 CA GLY A 414 58.205 -9.761 -4.433 1.00 0.00 C ATOM 112 C GLY A 414 59.212 -8.891 -3.678 1.00 0.00 C ATOM 113 O GLY A 414 59.018 -8.554 -2.526 1.00 0.00 O ATOM 0 H GLY A 414 56.322 -10.316 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 414 58.731 -10.483 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 414 57.604 -9.142 -5.099 1.00 0.00 H new ATOM 117 N TYR A 415 60.289 -8.527 -4.321 1.00 0.00 N ATOM 118 CA TYR A 415 61.317 -7.678 -3.651 1.00 0.00 C ATOM 119 C TYR A 415 62.310 -7.147 -4.689 1.00 0.00 C ATOM 120 O TYR A 415 62.698 -5.996 -4.662 1.00 0.00 O ATOM 121 CB TYR A 415 62.018 -8.611 -2.658 1.00 0.00 C ATOM 122 CG TYR A 415 61.905 -8.047 -1.261 1.00 0.00 C ATOM 123 CD1 TYR A 415 62.089 -6.677 -1.041 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.616 -8.897 -0.185 1.00 0.00 C ATOM 125 CE1 TYR A 415 61.983 -6.156 0.251 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.511 -8.373 1.110 1.00 0.00 C ATOM 127 CZ TYR A 415 61.695 -7.003 1.328 1.00 0.00 C ATOM 128 OH TYR A 415 61.590 -6.487 2.603 1.00 0.00 O ATOM 0 H TYR A 415 60.502 -8.782 -5.285 1.00 0.00 H new ATOM 0 HA TYR A 415 60.882 -6.812 -3.152 1.00 0.00 H new ATOM 0 HB2 TYR A 415 61.568 -9.603 -2.697 1.00 0.00 H new ATOM 0 HB3 TYR A 415 63.067 -8.725 -2.930 1.00 0.00 H new ATOM 0 HD1 TYR A 415 62.313 -6.022 -1.870 1.00 0.00 H new ATOM 0 HD2 TYR A 415 61.474 -9.954 -0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 415 62.123 -5.098 0.419 1.00 0.00 H new ATOM 0 HE2 TYR A 415 61.288 -9.027 1.940 1.00 0.00 H new ATOM 0 HH TYR A 415 62.418 -6.016 2.834 1.00 0.00 H new ATOM 138 N TRP A 416 62.713 -7.983 -5.605 1.00 0.00 N ATOM 139 CA TRP A 416 63.675 -7.545 -6.661 1.00 0.00 C ATOM 140 C TRP A 416 62.919 -6.775 -7.750 1.00 0.00 C ATOM 141 O TRP A 416 62.925 -7.150 -8.906 1.00 0.00 O ATOM 142 CB TRP A 416 64.246 -8.849 -7.222 1.00 0.00 C ATOM 143 CG TRP A 416 64.916 -9.601 -6.118 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.541 -10.817 -5.656 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.061 -9.196 -5.324 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.391 -11.182 -4.625 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.347 -10.212 -4.384 1.00 0.00 C ATOM 148 CE3 TRP A 416 66.871 -8.052 -5.334 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.404 -10.094 -3.481 1.00 0.00 C ATOM 150 CZ3 TRP A 416 67.934 -7.928 -4.432 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.203 -8.946 -3.506 1.00 0.00 C ATOM 0 H TRP A 416 62.417 -8.957 -5.670 1.00 0.00 H new ATOM 0 HA TRP A 416 64.457 -6.887 -6.282 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.450 -9.452 -7.659 1.00 0.00 H new ATOM 0 HB3 TRP A 416 64.958 -8.636 -8.019 1.00 0.00 H new ATOM 0 HD1 TRP A 416 63.716 -11.405 -6.029 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.321 -12.058 -4.107 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.674 -7.261 -6.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.603 -10.882 -2.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.551 -7.042 -4.449 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.025 -8.844 -2.813 1.00 0.00 H new ATOM 162 N ILE A 417 62.247 -5.712 -7.383 1.00 0.00 N ATOM 163 CA ILE A 417 61.466 -4.934 -8.393 1.00 0.00 C ATOM 164 C ILE A 417 62.017 -3.513 -8.544 1.00 0.00 C ATOM 165 O ILE A 417 63.150 -3.232 -8.202 1.00 0.00 O ATOM 166 CB ILE A 417 60.037 -4.896 -7.839 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.002 -4.074 -6.541 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.567 -6.321 -7.546 1.00 0.00 C ATOM 169 CD1 ILE A 417 59.171 -2.805 -6.757 1.00 0.00 C ATOM 0 H ILE A 417 62.206 -5.350 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 417 61.519 -5.390 -9.382 1.00 0.00 H new ATOM 0 HB ILE A 417 59.380 -4.435 -8.576 1.00 0.00 H new ATOM 0 HG12 ILE A 417 59.573 -4.668 -5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 417 61.015 -3.810 -6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.551 -6.295 -7.152 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.585 -6.906 -8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.229 -6.779 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 417 59.148 -2.224 -5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 417 59.619 -2.208 -7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.154 -3.079 -7.039 1.00 0.00 H new ATOM 181 N THR A 418 61.214 -2.620 -9.060 1.00 0.00 N ATOM 182 CA THR A 418 61.668 -1.213 -9.245 1.00 0.00 C ATOM 183 C THR A 418 60.925 -0.282 -8.281 1.00 0.00 C ATOM 184 O THR A 418 59.776 0.057 -8.487 1.00 0.00 O ATOM 185 CB THR A 418 61.321 -0.873 -10.695 1.00 0.00 C ATOM 186 OG1 THR A 418 61.849 -1.874 -11.553 1.00 0.00 O ATOM 187 CG2 THR A 418 61.921 0.484 -11.060 1.00 0.00 C ATOM 0 H THR A 418 60.258 -2.807 -9.362 1.00 0.00 H new ATOM 0 HA THR A 418 62.732 -1.093 -9.041 1.00 0.00 H new ATOM 0 HB THR A 418 60.238 -0.830 -10.810 1.00 0.00 H new ATOM 0 HG1 THR A 418 61.626 -1.659 -12.483 1.00 0.00 H new ATOM 0 HG21 THR A 418 61.673 0.725 -12.094 1.00 0.00 H new ATOM 0 HG22 THR A 418 61.514 1.251 -10.401 1.00 0.00 H new ATOM 0 HG23 THR A 418 63.004 0.445 -10.946 1.00 0.00 H new ATOM 195 N CYS A 419 61.580 0.131 -7.232 1.00 0.00 N ATOM 196 CA CYS A 419 60.935 1.041 -6.239 1.00 0.00 C ATOM 197 C CYS A 419 60.821 2.467 -6.809 1.00 0.00 C ATOM 198 O CYS A 419 60.093 3.293 -6.295 1.00 0.00 O ATOM 199 CB CYS A 419 61.865 0.981 -5.020 1.00 0.00 C ATOM 200 SG CYS A 419 63.162 2.240 -5.128 1.00 0.00 S ATOM 0 H CYS A 419 62.544 -0.124 -7.017 1.00 0.00 H new ATOM 0 HA CYS A 419 59.916 0.748 -5.985 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.285 1.129 -4.109 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.318 -0.008 -4.953 1.00 0.00 H new ATOM 205 N CYS A 420 61.538 2.756 -7.864 1.00 0.00 N ATOM 206 CA CYS A 420 61.475 4.123 -8.468 1.00 0.00 C ATOM 207 C CYS A 420 61.972 4.068 -9.919 1.00 0.00 C ATOM 208 O CYS A 420 62.484 3.054 -10.351 1.00 0.00 O ATOM 209 CB CYS A 420 62.397 4.983 -7.593 1.00 0.00 C ATOM 210 SG CYS A 420 64.076 4.305 -7.598 1.00 0.00 S ATOM 0 H CYS A 420 62.166 2.104 -8.335 1.00 0.00 H new ATOM 0 HA CYS A 420 60.464 4.530 -8.498 1.00 0.00 H new ATOM 0 HB2 CYS A 420 62.410 6.008 -7.964 1.00 0.00 H new ATOM 0 HB3 CYS A 420 62.014 5.018 -6.573 1.00 0.00 H new ATOM 0 HG CYS A 420 64.172 3.376 -6.694 1.00 0.00 H new ATOM 216 N PRO A 421 61.805 5.155 -10.635 1.00 0.00 N ATOM 217 CA PRO A 421 62.250 5.191 -12.053 1.00 0.00 C ATOM 218 C PRO A 421 63.780 5.150 -12.137 1.00 0.00 C ATOM 219 O PRO A 421 64.346 4.918 -13.187 1.00 0.00 O ATOM 220 CB PRO A 421 61.687 6.512 -12.574 1.00 0.00 C ATOM 221 CG PRO A 421 61.507 7.362 -11.360 1.00 0.00 C ATOM 222 CD PRO A 421 61.209 6.430 -10.213 1.00 0.00 C ATOM 0 HA PRO A 421 61.904 4.338 -12.638 1.00 0.00 H new ATOM 0 HB2 PRO A 421 62.369 6.979 -13.285 1.00 0.00 H new ATOM 0 HB3 PRO A 421 60.741 6.360 -13.093 1.00 0.00 H new ATOM 0 HG2 PRO A 421 62.406 7.945 -11.160 1.00 0.00 H new ATOM 0 HG3 PRO A 421 60.692 8.072 -11.503 1.00 0.00 H new ATOM 0 HD2 PRO A 421 61.648 6.788 -9.282 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.137 6.334 -10.044 1.00 0.00 H new ATOM 230 N THR A 422 64.451 5.353 -11.035 1.00 0.00 N ATOM 231 CA THR A 422 65.941 5.304 -11.038 1.00 0.00 C ATOM 232 C THR A 422 66.411 4.255 -10.028 1.00 0.00 C ATOM 233 O THR A 422 67.348 4.466 -9.283 1.00 0.00 O ATOM 234 CB THR A 422 66.388 6.704 -10.613 1.00 0.00 C ATOM 235 OG1 THR A 422 65.582 7.148 -9.531 1.00 0.00 O ATOM 236 CG2 THR A 422 66.240 7.667 -11.792 1.00 0.00 C ATOM 0 H THR A 422 64.028 5.552 -10.128 1.00 0.00 H new ATOM 0 HA THR A 422 66.355 5.033 -12.009 1.00 0.00 H new ATOM 0 HB THR A 422 67.432 6.674 -10.300 1.00 0.00 H new ATOM 0 HG1 THR A 422 65.868 8.044 -9.256 1.00 0.00 H new ATOM 0 HG21 THR A 422 66.558 8.665 -11.489 1.00 0.00 H new ATOM 0 HG22 THR A 422 66.859 7.325 -12.621 1.00 0.00 H new ATOM 0 HG23 THR A 422 65.197 7.699 -12.107 1.00 0.00 H new ATOM 244 N CYS A 423 65.747 3.130 -9.991 1.00 0.00 N ATOM 245 CA CYS A 423 66.124 2.058 -9.023 1.00 0.00 C ATOM 246 C CYS A 423 67.239 1.172 -9.587 1.00 0.00 C ATOM 247 O CYS A 423 67.485 1.141 -10.775 1.00 0.00 O ATOM 248 CB CYS A 423 64.846 1.238 -8.839 1.00 0.00 C ATOM 249 SG CYS A 423 65.100 0.009 -7.539 1.00 0.00 S ATOM 0 H CYS A 423 64.955 2.906 -10.593 1.00 0.00 H new ATOM 0 HA CYS A 423 66.500 2.472 -8.087 1.00 0.00 H new ATOM 0 HB2 CYS A 423 64.015 1.893 -8.577 1.00 0.00 H new ATOM 0 HB3 CYS A 423 64.580 0.744 -9.774 1.00 0.00 H new ATOM 254 N ASP A 424 67.905 0.444 -8.730 1.00 0.00 N ATOM 255 CA ASP A 424 68.999 -0.457 -9.191 1.00 0.00 C ATOM 256 C ASP A 424 69.143 -1.631 -8.216 1.00 0.00 C ATOM 257 O ASP A 424 70.222 -2.151 -8.010 1.00 0.00 O ATOM 258 CB ASP A 424 70.261 0.408 -9.181 1.00 0.00 C ATOM 259 CG ASP A 424 70.447 1.052 -10.557 1.00 0.00 C ATOM 260 OD1 ASP A 424 70.702 0.321 -11.501 1.00 0.00 O ATOM 261 OD2 ASP A 424 70.335 2.263 -10.643 1.00 0.00 O ATOM 0 H ASP A 424 67.736 0.436 -7.724 1.00 0.00 H new ATOM 0 HA ASP A 424 68.807 -0.876 -10.179 1.00 0.00 H new ATOM 0 HB2 ASP A 424 70.181 1.179 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 424 71.130 -0.200 -8.932 1.00 0.00 H new ATOM 266 N VAL A 425 68.059 -2.046 -7.615 1.00 0.00 N ATOM 267 CA VAL A 425 68.122 -3.182 -6.649 1.00 0.00 C ATOM 268 C VAL A 425 68.166 -4.516 -7.396 1.00 0.00 C ATOM 269 O VAL A 425 67.353 -4.790 -8.257 1.00 0.00 O ATOM 270 CB VAL A 425 66.841 -3.067 -5.814 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.708 -4.274 -4.880 1.00 0.00 C ATOM 272 CG2 VAL A 425 66.903 -1.791 -4.975 1.00 0.00 C ATOM 0 H VAL A 425 67.131 -1.646 -7.752 1.00 0.00 H new ATOM 0 HA VAL A 425 69.016 -3.144 -6.026 1.00 0.00 H new ATOM 0 HB VAL A 425 65.981 -3.036 -6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.795 -4.181 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.667 -5.189 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.567 -4.313 -4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 425 65.995 -1.703 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 425 67.769 -1.832 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 425 66.990 -0.927 -5.633 1.00 0.00 H new ATOM 282 N ASP A 426 69.113 -5.345 -7.061 1.00 0.00 N ATOM 283 CA ASP A 426 69.233 -6.672 -7.731 1.00 0.00 C ATOM 284 C ASP A 426 70.237 -7.534 -6.968 1.00 0.00 C ATOM 285 O ASP A 426 71.384 -7.167 -6.810 1.00 0.00 O ATOM 286 CB ASP A 426 69.741 -6.367 -9.142 1.00 0.00 C ATOM 287 CG ASP A 426 68.980 -7.224 -10.156 1.00 0.00 C ATOM 288 OD1 ASP A 426 69.390 -8.352 -10.375 1.00 0.00 O ATOM 289 OD2 ASP A 426 68.001 -6.737 -10.697 1.00 0.00 O ATOM 0 H ASP A 426 69.816 -5.160 -6.346 1.00 0.00 H new ATOM 0 HA ASP A 426 68.289 -7.217 -7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.604 -5.310 -9.368 1.00 0.00 H new ATOM 0 HB3 ASP A 426 70.810 -6.571 -9.207 1.00 0.00 H new ATOM 294 N ILE A 427 69.814 -8.671 -6.480 1.00 0.00 N ATOM 295 CA ILE A 427 70.741 -9.553 -5.707 1.00 0.00 C ATOM 296 C ILE A 427 72.068 -9.743 -6.451 1.00 0.00 C ATOM 297 O ILE A 427 73.098 -9.967 -5.845 1.00 0.00 O ATOM 298 CB ILE A 427 70.001 -10.882 -5.566 1.00 0.00 C ATOM 299 CG1 ILE A 427 70.842 -11.843 -4.725 1.00 0.00 C ATOM 300 CG2 ILE A 427 69.757 -11.491 -6.949 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.948 -11.312 -3.294 1.00 0.00 C ATOM 0 H ILE A 427 68.864 -9.028 -6.583 1.00 0.00 H new ATOM 0 HA ILE A 427 70.995 -9.123 -4.738 1.00 0.00 H new ATOM 0 HB ILE A 427 69.042 -10.711 -5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 427 70.388 -12.834 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 427 71.836 -11.948 -5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.229 -12.438 -6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.156 -10.806 -7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 427 70.712 -11.662 -7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.548 -11.997 -2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 427 71.421 -10.330 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.951 -11.230 -2.862 1.00 0.00 H new ATOM 313 N ASN A 428 72.055 -9.647 -7.755 1.00 0.00 N ATOM 314 CA ASN A 428 73.325 -9.811 -8.525 1.00 0.00 C ATOM 315 C ASN A 428 74.379 -8.841 -7.984 1.00 0.00 C ATOM 316 O ASN A 428 75.558 -9.135 -7.959 1.00 0.00 O ATOM 317 CB ASN A 428 72.966 -9.466 -9.971 1.00 0.00 C ATOM 318 CG ASN A 428 73.737 -10.385 -10.921 1.00 0.00 C ATOM 319 OD1 ASN A 428 74.688 -9.966 -11.550 1.00 0.00 O ATOM 320 ND2 ASN A 428 73.364 -11.629 -11.053 1.00 0.00 N ATOM 0 H ASN A 428 71.225 -9.463 -8.318 1.00 0.00 H new ATOM 0 HA ASN A 428 73.737 -10.817 -8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 428 71.893 -9.580 -10.128 1.00 0.00 H new ATOM 0 HB3 ASN A 428 73.209 -8.424 -10.179 1.00 0.00 H new ATOM 0 HD21 ASN A 428 73.871 -12.249 -11.684 1.00 0.00 H new ATOM 0 HD22 ASN A 428 72.565 -11.981 -10.525 1.00 0.00 H new ATOM 327 N THR A 429 73.950 -7.690 -7.541 1.00 0.00 N ATOM 328 CA THR A 429 74.909 -6.691 -6.986 1.00 0.00 C ATOM 329 C THR A 429 74.480 -6.271 -5.572 1.00 0.00 C ATOM 330 O THR A 429 75.270 -5.759 -4.803 1.00 0.00 O ATOM 331 CB THR A 429 74.845 -5.500 -7.946 1.00 0.00 C ATOM 332 OG1 THR A 429 75.719 -4.477 -7.487 1.00 0.00 O ATOM 333 CG2 THR A 429 73.415 -4.959 -8.009 1.00 0.00 C ATOM 0 H THR A 429 72.973 -7.397 -7.540 1.00 0.00 H new ATOM 0 HA THR A 429 75.920 -7.091 -6.904 1.00 0.00 H new ATOM 0 HB THR A 429 75.149 -5.823 -8.941 1.00 0.00 H new ATOM 0 HG1 THR A 429 75.681 -3.714 -8.101 1.00 0.00 H new ATOM 0 HG21 THR A 429 73.376 -4.112 -8.694 1.00 0.00 H new ATOM 0 HG22 THR A 429 72.745 -5.742 -8.363 1.00 0.00 H new ATOM 0 HG23 THR A 429 73.104 -4.637 -7.015 1.00 0.00 H new ATOM 341 N TRP A 430 73.236 -6.484 -5.225 1.00 0.00 N ATOM 342 CA TRP A 430 72.760 -6.096 -3.864 1.00 0.00 C ATOM 343 C TRP A 430 73.358 -7.020 -2.803 1.00 0.00 C ATOM 344 O TRP A 430 73.903 -8.063 -3.108 1.00 0.00 O ATOM 345 CB TRP A 430 71.244 -6.277 -3.891 1.00 0.00 C ATOM 346 CG TRP A 430 70.664 -5.710 -2.647 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.307 -4.423 -2.427 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.384 -6.425 -1.442 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.818 -4.322 -1.131 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.850 -5.545 -0.485 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.554 -7.757 -1.117 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.489 -5.993 0.787 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.199 -8.230 0.156 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.666 -7.346 1.111 1.00 0.00 C ATOM 0 H TRP A 430 72.530 -6.910 -5.826 1.00 0.00 H new ATOM 0 HA TRP A 430 73.054 -5.075 -3.620 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.821 -5.779 -4.764 1.00 0.00 H new ATOM 0 HB3 TRP A 430 70.993 -7.334 -3.975 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.388 -3.614 -3.137 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.479 -3.457 -0.710 1.00 0.00 H new ATOM 0 HE3 TRP A 430 70.963 -8.439 -1.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 69.079 -5.306 1.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.335 -9.273 0.402 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.394 -7.708 2.091 1.00 0.00 H new ATOM 365 N VAL A 431 73.241 -6.646 -1.558 1.00 0.00 N ATOM 366 CA VAL A 431 73.782 -7.498 -0.460 1.00 0.00 C ATOM 367 C VAL A 431 73.001 -7.239 0.835 1.00 0.00 C ATOM 368 O VAL A 431 72.294 -6.256 0.941 1.00 0.00 O ATOM 369 CB VAL A 431 75.241 -7.071 -0.294 1.00 0.00 C ATOM 370 CG1 VAL A 431 76.023 -7.374 -1.573 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.315 -5.570 0.008 1.00 0.00 C ATOM 0 H VAL A 431 72.792 -5.783 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 431 73.696 -8.561 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 431 75.678 -7.627 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 431 77.061 -7.067 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 431 75.984 -8.444 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.582 -6.828 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.357 -5.273 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.869 -5.011 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.772 -5.357 0.929 1.00 0.00 H new ATOM 381 N PRO A 432 73.154 -8.128 1.785 1.00 0.00 N ATOM 382 CA PRO A 432 72.450 -7.977 3.083 1.00 0.00 C ATOM 383 C PRO A 432 73.070 -6.834 3.892 1.00 0.00 C ATOM 384 O PRO A 432 74.156 -6.956 4.425 1.00 0.00 O ATOM 385 CB PRO A 432 72.675 -9.319 3.773 1.00 0.00 C ATOM 386 CG PRO A 432 73.925 -9.864 3.159 1.00 0.00 C ATOM 387 CD PRO A 432 73.983 -9.342 1.747 1.00 0.00 C ATOM 0 HA PRO A 432 71.393 -7.735 2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.786 -9.195 4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.832 -9.991 3.614 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.802 -9.548 3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.916 -10.954 3.168 1.00 0.00 H new ATOM 0 HD2 PRO A 432 75.006 -9.118 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.593 -10.070 1.035 1.00 0.00 H new ATOM 395 N PHE A 433 72.388 -5.724 3.985 1.00 0.00 N ATOM 396 CA PHE A 433 72.936 -4.569 4.754 1.00 0.00 C ATOM 397 C PHE A 433 72.117 -4.341 6.027 1.00 0.00 C ATOM 398 O PHE A 433 72.639 -3.943 7.050 1.00 0.00 O ATOM 399 CB PHE A 433 72.805 -3.372 3.813 1.00 0.00 C ATOM 400 CG PHE A 433 73.879 -2.358 4.129 1.00 0.00 C ATOM 401 CD1 PHE A 433 73.855 -1.671 5.348 1.00 0.00 C ATOM 402 CD2 PHE A 433 74.898 -2.106 3.202 1.00 0.00 C ATOM 403 CE1 PHE A 433 74.850 -0.729 5.641 1.00 0.00 C ATOM 404 CE2 PHE A 433 75.892 -1.165 3.495 1.00 0.00 C ATOM 405 CZ PHE A 433 75.868 -0.478 4.713 1.00 0.00 C ATOM 0 H PHE A 433 71.474 -5.567 3.561 1.00 0.00 H new ATOM 0 HA PHE A 433 73.967 -4.734 5.067 1.00 0.00 H new ATOM 0 HB2 PHE A 433 72.894 -3.700 2.777 1.00 0.00 H new ATOM 0 HB3 PHE A 433 71.820 -2.918 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 433 73.070 -1.867 6.063 1.00 0.00 H new ATOM 0 HD2 PHE A 433 74.917 -2.637 2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 433 74.832 -0.197 6.581 1.00 0.00 H new ATOM 0 HE2 PHE A 433 76.678 -0.969 2.780 1.00 0.00 H new ATOM 0 HZ PHE A 433 76.636 0.247 4.938 1.00 0.00 H new ATOM 415 N TYR A 434 70.836 -4.588 5.971 1.00 0.00 N ATOM 416 CA TYR A 434 69.981 -4.382 7.179 1.00 0.00 C ATOM 417 C TYR A 434 70.131 -5.569 8.134 1.00 0.00 C ATOM 418 O TYR A 434 70.488 -6.659 7.731 1.00 0.00 O ATOM 419 CB TYR A 434 68.544 -4.291 6.653 1.00 0.00 C ATOM 420 CG TYR A 434 68.486 -3.337 5.482 1.00 0.00 C ATOM 421 CD1 TYR A 434 68.568 -1.956 5.696 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.349 -3.837 4.182 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.515 -1.074 4.609 1.00 0.00 C ATOM 424 CE2 TYR A 434 68.295 -2.956 3.096 1.00 0.00 C ATOM 425 CZ TYR A 434 68.378 -1.576 3.309 1.00 0.00 C ATOM 426 OH TYR A 434 68.323 -0.708 2.238 1.00 0.00 O ATOM 0 H TYR A 434 70.344 -4.923 5.143 1.00 0.00 H new ATOM 0 HA TYR A 434 70.261 -3.486 7.733 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.196 -5.278 6.347 1.00 0.00 H new ATOM 0 HB3 TYR A 434 67.878 -3.949 7.445 1.00 0.00 H new ATOM 0 HD1 TYR A 434 68.672 -1.570 6.699 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.285 -4.902 4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.580 -0.009 4.773 1.00 0.00 H new ATOM 0 HE2 TYR A 434 68.189 -3.342 2.093 1.00 0.00 H new ATOM 0 HH TYR A 434 68.228 -1.219 1.407 1.00 0.00 H new ATOM 436 N SER A 435 69.865 -5.366 9.396 1.00 0.00 N ATOM 437 CA SER A 435 69.995 -6.481 10.379 1.00 0.00 C ATOM 438 C SER A 435 68.679 -7.257 10.483 1.00 0.00 C ATOM 439 O SER A 435 68.669 -8.466 10.607 1.00 0.00 O ATOM 440 CB SER A 435 70.320 -5.800 11.708 1.00 0.00 C ATOM 441 OG SER A 435 71.521 -5.051 11.571 1.00 0.00 O ATOM 0 H SER A 435 69.563 -4.475 9.790 1.00 0.00 H new ATOM 0 HA SER A 435 70.762 -7.198 10.088 1.00 0.00 H new ATOM 0 HB2 SER A 435 69.501 -5.145 12.004 1.00 0.00 H new ATOM 0 HB3 SER A 435 70.431 -6.546 12.495 1.00 0.00 H new ATOM 0 HG SER A 435 71.731 -4.612 12.421 1.00 0.00 H new ATOM 447 N THR A 436 67.570 -6.569 10.436 1.00 0.00 N ATOM 448 CA THR A 436 66.252 -7.263 10.536 1.00 0.00 C ATOM 449 C THR A 436 66.080 -8.258 9.383 1.00 0.00 C ATOM 450 O THR A 436 65.375 -9.241 9.502 1.00 0.00 O ATOM 451 CB THR A 436 65.205 -6.147 10.450 1.00 0.00 C ATOM 452 OG1 THR A 436 63.904 -6.714 10.524 1.00 0.00 O ATOM 453 CG2 THR A 436 65.358 -5.391 9.127 1.00 0.00 C ATOM 0 H THR A 436 67.519 -5.556 10.333 1.00 0.00 H new ATOM 0 HA THR A 436 66.160 -7.836 11.459 1.00 0.00 H new ATOM 0 HB THR A 436 65.350 -5.453 11.278 1.00 0.00 H new ATOM 0 HG1 THR A 436 63.233 -6.002 10.471 1.00 0.00 H new ATOM 0 HG21 THR A 436 64.611 -4.599 9.072 1.00 0.00 H new ATOM 0 HG22 THR A 436 66.355 -4.954 9.071 1.00 0.00 H new ATOM 0 HG23 THR A 436 65.217 -6.081 8.295 1.00 0.00 H new ATOM 461 N GLU A 437 66.719 -8.011 8.271 1.00 0.00 N ATOM 462 CA GLU A 437 66.592 -8.944 7.114 1.00 0.00 C ATOM 463 C GLU A 437 67.780 -9.908 7.079 1.00 0.00 C ATOM 464 O GLU A 437 68.630 -9.893 7.948 1.00 0.00 O ATOM 465 CB GLU A 437 66.593 -8.044 5.875 1.00 0.00 C ATOM 466 CG GLU A 437 65.174 -7.949 5.308 1.00 0.00 C ATOM 467 CD GLU A 437 64.268 -7.236 6.313 1.00 0.00 C ATOM 468 OE1 GLU A 437 64.181 -6.022 6.244 1.00 0.00 O ATOM 469 OE2 GLU A 437 63.676 -7.917 7.134 1.00 0.00 O ATOM 0 H GLU A 437 67.323 -7.204 8.114 1.00 0.00 H new ATOM 0 HA GLU A 437 65.691 -9.554 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 437 66.959 -7.051 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.270 -8.446 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 437 65.184 -7.406 4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 437 64.788 -8.946 5.098 1.00 0.00 H new ATOM 476 N LEU A 438 67.845 -10.748 6.080 1.00 0.00 N ATOM 477 CA LEU A 438 68.977 -11.716 5.988 1.00 0.00 C ATOM 478 C LEU A 438 69.627 -11.647 4.602 1.00 0.00 C ATOM 479 O LEU A 438 70.830 -11.742 4.468 1.00 0.00 O ATOM 480 CB LEU A 438 68.343 -13.092 6.219 1.00 0.00 C ATOM 481 CG LEU A 438 68.993 -13.773 7.430 1.00 0.00 C ATOM 482 CD1 LEU A 438 70.485 -13.991 7.164 1.00 0.00 C ATOM 483 CD2 LEU A 438 68.819 -12.891 8.671 1.00 0.00 C ATOM 0 H LEU A 438 67.163 -10.806 5.324 1.00 0.00 H new ATOM 0 HA LEU A 438 69.762 -11.502 6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 438 67.271 -12.984 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 438 68.468 -13.713 5.332 1.00 0.00 H new ATOM 0 HG LEU A 438 68.513 -14.737 7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 438 70.942 -14.475 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 438 70.609 -14.624 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 438 70.968 -13.029 6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 438 69.281 -13.377 9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 438 69.295 -11.925 8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 438 67.757 -12.743 8.866 1.00 0.00 H new ATOM 495 N ASN A 439 68.839 -11.485 3.571 1.00 0.00 N ATOM 496 CA ASN A 439 69.413 -11.411 2.196 1.00 0.00 C ATOM 497 C ASN A 439 68.453 -10.675 1.258 1.00 0.00 C ATOM 498 O ASN A 439 68.349 -10.991 0.088 1.00 0.00 O ATOM 499 CB ASN A 439 69.582 -12.866 1.757 1.00 0.00 C ATOM 500 CG ASN A 439 70.941 -13.041 1.076 1.00 0.00 C ATOM 501 OD1 ASN A 439 71.906 -13.422 1.708 1.00 0.00 O ATOM 502 ND2 ASN A 439 71.058 -12.775 -0.196 1.00 0.00 N ATOM 0 H ASN A 439 67.824 -11.401 3.622 1.00 0.00 H new ATOM 0 HA ASN A 439 70.357 -10.866 2.173 1.00 0.00 H new ATOM 0 HB2 ASN A 439 69.508 -13.528 2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 439 68.782 -13.145 1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 439 71.960 -12.887 -0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 439 70.248 -12.455 -0.727 1.00 0.00 H new ATOM 509 N LYS A 440 67.751 -9.695 1.761 1.00 0.00 N ATOM 510 CA LYS A 440 66.796 -8.937 0.900 1.00 0.00 C ATOM 511 C LYS A 440 66.730 -7.470 1.344 1.00 0.00 C ATOM 512 O LYS A 440 67.000 -7.158 2.488 1.00 0.00 O ATOM 513 CB LYS A 440 65.442 -9.623 1.100 1.00 0.00 C ATOM 514 CG LYS A 440 65.068 -9.612 2.586 1.00 0.00 C ATOM 515 CD LYS A 440 65.117 -11.039 3.139 1.00 0.00 C ATOM 516 CE LYS A 440 63.731 -11.678 3.025 1.00 0.00 C ATOM 517 NZ LYS A 440 63.887 -13.041 3.607 1.00 0.00 N ATOM 0 H LYS A 440 67.797 -9.386 2.732 1.00 0.00 H new ATOM 0 HA LYS A 440 67.098 -8.937 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.675 -9.111 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.486 -10.649 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 440 65.756 -8.973 3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 440 64.070 -9.195 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 440 65.848 -11.630 2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 440 65.439 -11.026 4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 440 62.984 -11.100 3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 440 63.403 -11.727 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 62.977 -13.543 3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 64.600 -13.570 3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 64.193 -12.962 4.598 1.00 0.00 H new ATOM 531 N PRO A 441 66.372 -6.614 0.421 1.00 0.00 N ATOM 532 CA PRO A 441 66.272 -5.162 0.724 1.00 0.00 C ATOM 533 C PRO A 441 65.118 -4.883 1.690 1.00 0.00 C ATOM 534 O PRO A 441 64.171 -5.640 1.778 1.00 0.00 O ATOM 535 CB PRO A 441 65.999 -4.529 -0.641 1.00 0.00 C ATOM 536 CG PRO A 441 65.393 -5.626 -1.454 1.00 0.00 C ATOM 537 CD PRO A 441 66.025 -6.905 -0.976 1.00 0.00 C ATOM 0 HA PRO A 441 67.167 -4.768 1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.322 -3.679 -0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.918 -4.159 -1.097 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.311 -5.654 -1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.582 -5.472 -2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.336 -7.746 -1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.907 -7.161 -1.564 1.00 0.00 H new ATOM 545 N ALA A 442 65.192 -3.796 2.409 1.00 0.00 N ATOM 546 CA ALA A 442 64.100 -3.452 3.365 1.00 0.00 C ATOM 547 C ALA A 442 63.075 -2.558 2.665 1.00 0.00 C ATOM 548 O ALA A 442 63.185 -1.347 2.674 1.00 0.00 O ATOM 549 CB ALA A 442 64.789 -2.697 4.502 1.00 0.00 C ATOM 0 H ALA A 442 65.963 -3.130 2.376 1.00 0.00 H new ATOM 0 HA ALA A 442 63.569 -4.330 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 442 64.049 -2.409 5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.539 -3.340 4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.271 -1.804 4.106 1.00 0.00 H new ATOM 555 N MET A 443 62.087 -3.147 2.047 1.00 0.00 N ATOM 556 CA MET A 443 61.061 -2.334 1.332 1.00 0.00 C ATOM 557 C MET A 443 60.123 -1.651 2.331 1.00 0.00 C ATOM 558 O MET A 443 59.895 -2.140 3.420 1.00 0.00 O ATOM 559 CB MET A 443 60.289 -3.336 0.471 1.00 0.00 C ATOM 560 CG MET A 443 60.867 -3.348 -0.945 1.00 0.00 C ATOM 561 SD MET A 443 59.941 -4.523 -1.964 1.00 0.00 S ATOM 562 CE MET A 443 59.874 -3.517 -3.467 1.00 0.00 C ATOM 0 H MET A 443 61.946 -4.156 2.006 1.00 0.00 H new ATOM 0 HA MET A 443 61.512 -1.542 0.734 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.353 -4.332 0.909 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.233 -3.068 0.441 1.00 0.00 H new ATOM 0 HG2 MET A 443 60.812 -2.350 -1.380 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.921 -3.626 -0.917 1.00 0.00 H new ATOM 0 HE1 MET A 443 58.983 -3.776 -4.039 1.00 0.00 H new ATOM 0 HE2 MET A 443 59.838 -2.462 -3.197 1.00 0.00 H new ATOM 0 HE3 MET A 443 60.761 -3.707 -4.072 1.00 0.00 H new ATOM 572 N ILE A 444 59.579 -0.524 1.962 1.00 0.00 N ATOM 573 CA ILE A 444 58.654 0.204 2.872 1.00 0.00 C ATOM 574 C ILE A 444 57.344 0.513 2.141 1.00 0.00 C ATOM 575 O ILE A 444 57.285 0.492 0.927 1.00 0.00 O ATOM 576 CB ILE A 444 59.388 1.497 3.230 1.00 0.00 C ATOM 577 CG1 ILE A 444 59.704 2.290 1.953 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.693 1.158 3.956 1.00 0.00 C ATOM 579 CD1 ILE A 444 58.846 3.556 1.912 1.00 0.00 C ATOM 0 H ILE A 444 59.738 -0.074 1.061 1.00 0.00 H new ATOM 0 HA ILE A 444 58.398 -0.375 3.759 1.00 0.00 H new ATOM 0 HB ILE A 444 58.754 2.101 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 444 60.761 2.554 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.508 1.677 1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.217 2.079 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.469 0.603 4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.323 0.550 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 444 59.070 4.118 1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 444 57.791 3.281 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 444 59.064 4.172 2.785 1.00 0.00 H new ATOM 591 N TYR A 445 56.295 0.800 2.867 1.00 0.00 N ATOM 592 CA TYR A 445 54.996 1.107 2.203 1.00 0.00 C ATOM 593 C TYR A 445 54.798 2.626 2.095 1.00 0.00 C ATOM 594 O TYR A 445 54.933 3.351 3.062 1.00 0.00 O ATOM 595 CB TYR A 445 53.928 0.456 3.095 1.00 0.00 C ATOM 596 CG TYR A 445 53.634 1.327 4.296 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.686 2.350 4.196 1.00 0.00 C ATOM 598 CD2 TYR A 445 54.308 1.112 5.504 1.00 0.00 C ATOM 599 CE1 TYR A 445 52.408 3.160 5.303 1.00 0.00 C ATOM 600 CE2 TYR A 445 54.031 1.920 6.613 1.00 0.00 C ATOM 601 CZ TYR A 445 53.081 2.945 6.513 1.00 0.00 C ATOM 602 OH TYR A 445 52.808 3.742 7.605 1.00 0.00 O ATOM 0 H TYR A 445 56.282 0.835 3.886 1.00 0.00 H new ATOM 0 HA TYR A 445 54.946 0.724 1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 445 53.015 0.298 2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.271 -0.525 3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.168 2.515 3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 445 55.041 0.323 5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 445 51.676 3.950 5.225 1.00 0.00 H new ATOM 0 HE2 TYR A 445 54.550 1.753 7.546 1.00 0.00 H new ATOM 0 HH TYR A 445 53.360 3.458 8.363 1.00 0.00 H new ATOM 612 N CYS A 446 54.485 3.111 0.922 1.00 0.00 N ATOM 613 CA CYS A 446 54.280 4.582 0.751 1.00 0.00 C ATOM 614 C CYS A 446 52.889 4.978 1.257 1.00 0.00 C ATOM 615 O CYS A 446 51.987 4.166 1.325 1.00 0.00 O ATOM 616 CB CYS A 446 54.395 4.827 -0.757 1.00 0.00 C ATOM 617 SG CYS A 446 54.066 6.571 -1.131 1.00 0.00 S ATOM 0 H CYS A 446 54.362 2.554 0.076 1.00 0.00 H new ATOM 0 HA CYS A 446 55.005 5.171 1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.392 4.555 -1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.688 4.193 -1.291 1.00 0.00 H new ATOM 622 N SER A 447 52.710 6.224 1.610 1.00 0.00 N ATOM 623 CA SER A 447 51.379 6.677 2.107 1.00 0.00 C ATOM 624 C SER A 447 50.671 7.504 1.030 1.00 0.00 C ATOM 625 O SER A 447 49.935 8.426 1.323 1.00 0.00 O ATOM 626 CB SER A 447 51.686 7.540 3.331 1.00 0.00 C ATOM 627 OG SER A 447 51.547 6.752 4.507 1.00 0.00 O ATOM 0 H SER A 447 53.429 6.947 1.575 1.00 0.00 H new ATOM 0 HA SER A 447 50.722 5.843 2.353 1.00 0.00 H new ATOM 0 HB2 SER A 447 52.698 7.940 3.264 1.00 0.00 H new ATOM 0 HB3 SER A 447 51.008 8.393 3.368 1.00 0.00 H new ATOM 0 HG SER A 447 51.745 7.301 5.294 1.00 0.00 H new ATOM 633 N HIS A 448 50.892 7.178 -0.217 1.00 0.00 N ATOM 634 CA HIS A 448 50.236 7.941 -1.319 1.00 0.00 C ATOM 635 C HIS A 448 49.157 7.084 -1.987 1.00 0.00 C ATOM 636 O HIS A 448 49.445 6.242 -2.814 1.00 0.00 O ATOM 637 CB HIS A 448 51.363 8.254 -2.305 1.00 0.00 C ATOM 638 CG HIS A 448 50.824 9.078 -3.443 1.00 0.00 C ATOM 639 ND1 HIS A 448 50.968 10.455 -3.492 1.00 0.00 N ATOM 640 CD2 HIS A 448 50.138 8.731 -4.582 1.00 0.00 C ATOM 641 CE1 HIS A 448 50.383 10.884 -4.626 1.00 0.00 C ATOM 642 NE2 HIS A 448 49.861 9.875 -5.327 1.00 0.00 N ATOM 0 H HIS A 448 51.499 6.416 -0.519 1.00 0.00 H new ATOM 0 HA HIS A 448 49.744 8.845 -0.962 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.163 8.794 -1.799 1.00 0.00 H new ATOM 0 HB3 HIS A 448 51.794 7.328 -2.686 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.857 7.725 -4.857 1.00 0.00 H new ATOM 0 HE1 HIS A 448 50.341 11.919 -4.932 1.00 0.00 H new ATOM 0 HE2 HIS A 448 49.366 9.930 -6.217 1.00 0.00 H new ATOM 650 N GLY A 449 47.917 7.297 -1.636 1.00 0.00 N ATOM 651 CA GLY A 449 46.818 6.498 -2.250 1.00 0.00 C ATOM 652 C GLY A 449 46.855 5.069 -1.705 1.00 0.00 C ATOM 653 O GLY A 449 46.883 4.852 -0.509 1.00 0.00 O ATOM 0 H GLY A 449 47.618 7.990 -0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 449 45.854 6.957 -2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 449 46.925 6.487 -3.335 1.00 0.00 H new ATOM 657 N ASP A 450 46.854 4.094 -2.574 1.00 0.00 N ATOM 658 CA ASP A 450 46.888 2.676 -2.107 1.00 0.00 C ATOM 659 C ASP A 450 48.223 2.374 -1.422 1.00 0.00 C ATOM 660 O ASP A 450 48.307 1.532 -0.549 1.00 0.00 O ATOM 661 CB ASP A 450 46.727 1.832 -3.376 1.00 0.00 C ATOM 662 CG ASP A 450 47.861 2.152 -4.355 1.00 0.00 C ATOM 663 OD1 ASP A 450 47.732 3.124 -5.081 1.00 0.00 O ATOM 664 OD2 ASP A 450 48.835 1.419 -4.360 1.00 0.00 O ATOM 0 H ASP A 450 46.831 4.217 -3.586 1.00 0.00 H new ATOM 0 HA ASP A 450 46.106 2.464 -1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 450 46.740 0.772 -3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 450 45.763 2.037 -3.841 1.00 0.00 H new ATOM 669 N GLY A 451 49.268 3.056 -1.810 1.00 0.00 N ATOM 670 CA GLY A 451 50.598 2.811 -1.182 1.00 0.00 C ATOM 671 C GLY A 451 51.265 1.605 -1.846 1.00 0.00 C ATOM 672 O GLY A 451 50.628 0.607 -2.123 1.00 0.00 O ATOM 0 H GLY A 451 49.257 3.773 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.230 3.693 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.479 2.631 -0.114 1.00 0.00 H new ATOM 676 N HIS A 452 52.546 1.685 -2.089 1.00 0.00 N ATOM 677 CA HIS A 452 53.261 0.537 -2.721 1.00 0.00 C ATOM 678 C HIS A 452 54.510 0.188 -1.920 1.00 0.00 C ATOM 679 O HIS A 452 54.848 0.843 -0.952 1.00 0.00 O ATOM 680 CB HIS A 452 53.631 0.964 -4.148 1.00 0.00 C ATOM 681 CG HIS A 452 54.329 2.303 -4.165 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.536 2.493 -4.825 1.00 0.00 N ATOM 683 CD2 HIS A 452 54.004 3.527 -3.633 1.00 0.00 C ATOM 684 CE1 HIS A 452 55.883 3.785 -4.673 1.00 0.00 C ATOM 685 NE2 HIS A 452 54.984 4.454 -3.953 1.00 0.00 N ATOM 0 H HIS A 452 53.128 2.495 -1.877 1.00 0.00 H new ATOM 0 HA HIS A 452 52.630 -0.351 -2.742 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.278 0.210 -4.598 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.729 1.015 -4.758 1.00 0.00 H new ATOM 0 HD1 HIS A 452 56.064 1.783 -5.333 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.118 3.736 -3.052 1.00 0.00 H new ATOM 0 HE1 HIS A 452 56.780 4.225 -5.084 1.00 0.00 H new ATOM 693 N TRP A 453 55.188 -0.849 -2.319 1.00 0.00 N ATOM 694 CA TRP A 453 56.415 -1.274 -1.592 1.00 0.00 C ATOM 695 C TRP A 453 57.670 -0.815 -2.339 1.00 0.00 C ATOM 696 O TRP A 453 57.855 -1.117 -3.502 1.00 0.00 O ATOM 697 CB TRP A 453 56.330 -2.797 -1.576 1.00 0.00 C ATOM 698 CG TRP A 453 55.500 -3.244 -0.415 1.00 0.00 C ATOM 699 CD1 TRP A 453 54.301 -3.865 -0.513 1.00 0.00 C ATOM 700 CD2 TRP A 453 55.781 -3.121 1.010 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.829 -4.129 0.760 1.00 0.00 N ATOM 702 CE2 TRP A 453 54.705 -3.691 1.732 1.00 0.00 C ATOM 703 CE3 TRP A 453 56.854 -2.577 1.740 1.00 0.00 C ATOM 704 CZ2 TRP A 453 54.693 -3.719 3.127 1.00 0.00 C ATOM 705 CZ3 TRP A 453 56.844 -2.604 3.145 1.00 0.00 C ATOM 706 CH2 TRP A 453 55.767 -3.174 3.836 1.00 0.00 C ATOM 0 H TRP A 453 54.943 -1.425 -3.124 1.00 0.00 H new ATOM 0 HA TRP A 453 56.478 -0.846 -0.591 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.893 -3.156 -2.508 1.00 0.00 H new ATOM 0 HB3 TRP A 453 57.330 -3.226 -1.507 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.796 -4.114 -1.435 1.00 0.00 H new ATOM 0 HE1 TRP A 453 52.941 -4.591 0.956 1.00 0.00 H new ATOM 0 HE3 TRP A 453 57.690 -2.136 1.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 53.860 -4.159 3.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 57.672 -2.183 3.696 1.00 0.00 H new ATOM 0 HH2 TRP A 453 55.767 -3.192 4.916 1.00 0.00 H new ATOM 717 N VAL A 454 58.536 -0.090 -1.679 1.00 0.00 N ATOM 718 CA VAL A 454 59.784 0.387 -2.352 1.00 0.00 C ATOM 719 C VAL A 454 60.981 0.268 -1.399 1.00 0.00 C ATOM 720 O VAL A 454 60.850 0.418 -0.202 1.00 0.00 O ATOM 721 CB VAL A 454 59.524 1.855 -2.711 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.561 1.936 -3.896 1.00 0.00 C ATOM 723 CG2 VAL A 454 58.912 2.586 -1.519 1.00 0.00 C ATOM 0 H VAL A 454 58.434 0.193 -0.704 1.00 0.00 H new ATOM 0 HA VAL A 454 60.020 -0.205 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 454 60.472 2.323 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.380 2.981 -4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.998 1.427 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.618 1.458 -3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 454 58.731 3.628 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 454 57.969 2.112 -1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 454 59.598 2.541 -0.673 1.00 0.00 H new ATOM 733 N HIS A 455 62.150 -0.003 -1.925 1.00 0.00 N ATOM 734 CA HIS A 455 63.359 -0.138 -1.050 1.00 0.00 C ATOM 735 C HIS A 455 63.574 1.144 -0.241 1.00 0.00 C ATOM 736 O HIS A 455 63.060 2.194 -0.576 1.00 0.00 O ATOM 737 CB HIS A 455 64.543 -0.372 -2.003 1.00 0.00 C ATOM 738 CG HIS A 455 64.212 -1.468 -2.969 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.117 -1.250 -4.349 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.904 -2.784 -2.771 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.751 -2.418 -4.919 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.615 -3.355 -3.994 1.00 0.00 N ATOM 0 H HIS A 455 62.321 -0.137 -2.922 1.00 0.00 H new ATOM 0 HA HIS A 455 63.250 -0.956 -0.338 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.771 0.546 -2.545 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.434 -0.635 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.889 -3.292 -1.818 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.592 -2.566 -5.977 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.345 -4.325 -4.156 1.00 0.00 H new ATOM 750 N ALA A 456 64.327 1.065 0.822 1.00 0.00 N ATOM 751 CA ALA A 456 64.576 2.276 1.658 1.00 0.00 C ATOM 752 C ALA A 456 65.888 2.950 1.243 1.00 0.00 C ATOM 753 O ALA A 456 65.931 4.137 0.983 1.00 0.00 O ATOM 754 CB ALA A 456 64.671 1.754 3.091 1.00 0.00 C ATOM 0 H ALA A 456 64.782 0.213 1.149 1.00 0.00 H new ATOM 0 HA ALA A 456 63.789 3.022 1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 456 64.854 2.587 3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.736 1.263 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.491 1.039 3.164 1.00 0.00 H new ATOM 760 N GLN A 457 66.960 2.202 1.182 1.00 0.00 N ATOM 761 CA GLN A 457 68.271 2.801 0.786 1.00 0.00 C ATOM 762 C GLN A 457 68.164 3.444 -0.601 1.00 0.00 C ATOM 763 O GLN A 457 68.877 4.376 -0.918 1.00 0.00 O ATOM 764 CB GLN A 457 69.255 1.629 0.766 1.00 0.00 C ATOM 765 CG GLN A 457 70.636 2.123 0.325 1.00 0.00 C ATOM 766 CD GLN A 457 71.553 0.925 0.077 1.00 0.00 C ATOM 767 OE1 GLN A 457 72.423 0.634 0.874 1.00 0.00 O ATOM 768 NE2 GLN A 457 71.395 0.211 -1.004 1.00 0.00 N ATOM 0 H GLN A 457 66.985 1.204 1.389 1.00 0.00 H new ATOM 0 HA GLN A 457 68.590 3.586 1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.318 1.178 1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 457 68.900 0.855 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 457 70.547 2.720 -0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 457 71.064 2.769 1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 457 70.665 0.454 -1.674 1.00 0.00 H new ATOM 0 HE22 GLN A 457 72.001 -0.590 -1.179 1.00 0.00 H new ATOM 777 N CYS A 458 67.278 2.956 -1.428 1.00 0.00 N ATOM 778 CA CYS A 458 67.125 3.544 -2.792 1.00 0.00 C ATOM 779 C CYS A 458 66.737 5.022 -2.684 1.00 0.00 C ATOM 780 O CYS A 458 67.016 5.814 -3.563 1.00 0.00 O ATOM 781 CB CYS A 458 65.999 2.744 -3.448 1.00 0.00 C ATOM 782 SG CYS A 458 66.694 1.292 -4.277 1.00 0.00 S ATOM 0 H CYS A 458 66.654 2.177 -1.219 1.00 0.00 H new ATOM 0 HA CYS A 458 68.048 3.494 -3.369 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.273 2.434 -2.696 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.467 3.367 -4.167 1.00 0.00 H new ATOM 787 N MET A 459 66.097 5.396 -1.608 1.00 0.00 N ATOM 788 CA MET A 459 65.688 6.820 -1.432 1.00 0.00 C ATOM 789 C MET A 459 66.906 7.680 -1.079 1.00 0.00 C ATOM 790 O MET A 459 67.428 8.402 -1.905 1.00 0.00 O ATOM 791 CB MET A 459 64.686 6.799 -0.275 1.00 0.00 C ATOM 792 CG MET A 459 63.453 5.990 -0.681 1.00 0.00 C ATOM 793 SD MET A 459 62.395 6.996 -1.750 1.00 0.00 S ATOM 794 CE MET A 459 62.105 5.743 -3.023 1.00 0.00 C ATOM 0 H MET A 459 65.839 4.775 -0.841 1.00 0.00 H new ATOM 0 HA MET A 459 65.256 7.245 -2.338 1.00 0.00 H new ATOM 0 HB2 MET A 459 65.146 6.360 0.610 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.396 7.816 -0.013 1.00 0.00 H new ATOM 0 HG2 MET A 459 63.756 5.082 -1.202 1.00 0.00 H new ATOM 0 HG3 MET A 459 62.901 5.679 0.206 1.00 0.00 H new ATOM 0 HE1 MET A 459 61.044 5.717 -3.273 1.00 0.00 H new ATOM 0 HE2 MET A 459 62.682 5.989 -3.914 1.00 0.00 H new ATOM 0 HE3 MET A 459 62.414 4.767 -2.649 1.00 0.00 H new ATOM 804 N ASP A 460 67.364 7.601 0.144 1.00 0.00 N ATOM 805 CA ASP A 460 68.546 8.396 0.573 1.00 0.00 C ATOM 806 C ASP A 460 68.863 8.089 2.039 1.00 0.00 C ATOM 807 O ASP A 460 70.008 8.003 2.436 1.00 0.00 O ATOM 808 CB ASP A 460 68.140 9.866 0.406 1.00 0.00 C ATOM 809 CG ASP A 460 69.285 10.771 0.871 1.00 0.00 C ATOM 810 OD1 ASP A 460 70.172 11.028 0.075 1.00 0.00 O ATOM 811 OD2 ASP A 460 69.253 11.192 2.015 1.00 0.00 O ATOM 0 H ASP A 460 66.961 7.010 0.871 1.00 0.00 H new ATOM 0 HA ASP A 460 69.436 8.163 -0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 460 67.901 10.072 -0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 460 67.241 10.074 0.986 1.00 0.00 H new ATOM 816 N LEU A 461 67.847 7.921 2.843 1.00 0.00 N ATOM 817 CA LEU A 461 68.067 7.616 4.288 1.00 0.00 C ATOM 818 C LEU A 461 68.880 6.326 4.445 1.00 0.00 C ATOM 819 O LEU A 461 69.171 5.643 3.483 1.00 0.00 O ATOM 820 CB LEU A 461 66.665 7.440 4.880 1.00 0.00 C ATOM 821 CG LEU A 461 65.872 6.417 4.056 1.00 0.00 C ATOM 822 CD1 LEU A 461 65.249 5.377 4.988 1.00 0.00 C ATOM 823 CD2 LEU A 461 64.761 7.133 3.283 1.00 0.00 C ATOM 0 H LEU A 461 66.869 7.982 2.560 1.00 0.00 H new ATOM 0 HA LEU A 461 68.626 8.406 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.738 7.107 5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.142 8.396 4.888 1.00 0.00 H new ATOM 0 HG LEU A 461 66.544 5.921 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 461 64.686 4.652 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 461 66.037 4.864 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.579 5.873 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 461 64.198 6.406 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 461 64.092 7.630 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 461 65.201 7.873 2.615 1.00 0.00 H new ATOM 835 N GLU A 462 69.248 5.992 5.655 1.00 0.00 N ATOM 836 CA GLU A 462 70.043 4.750 5.883 1.00 0.00 C ATOM 837 C GLU A 462 69.363 3.874 6.942 1.00 0.00 C ATOM 838 O GLU A 462 68.178 3.988 7.186 1.00 0.00 O ATOM 839 CB GLU A 462 71.404 5.239 6.381 1.00 0.00 C ATOM 840 CG GLU A 462 72.048 6.133 5.319 1.00 0.00 C ATOM 841 CD GLU A 462 73.564 5.930 5.331 1.00 0.00 C ATOM 842 OE1 GLU A 462 73.989 4.790 5.422 1.00 0.00 O ATOM 843 OE2 GLU A 462 74.275 6.919 5.250 1.00 0.00 O ATOM 0 H GLU A 462 69.031 6.527 6.496 1.00 0.00 H new ATOM 0 HA GLU A 462 70.133 4.144 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 462 71.284 5.792 7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 462 72.051 4.389 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 462 71.646 5.893 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 462 71.809 7.178 5.515 1.00 0.00 H new ATOM 850 N GLU A 463 70.105 3.001 7.571 1.00 0.00 N ATOM 851 CA GLU A 463 69.504 2.115 8.612 1.00 0.00 C ATOM 852 C GLU A 463 68.946 2.953 9.768 1.00 0.00 C ATOM 853 O GLU A 463 67.829 2.756 10.204 1.00 0.00 O ATOM 854 CB GLU A 463 70.655 1.232 9.096 1.00 0.00 C ATOM 855 CG GLU A 463 70.147 -0.195 9.318 1.00 0.00 C ATOM 856 CD GLU A 463 71.155 -0.967 10.171 1.00 0.00 C ATOM 857 OE1 GLU A 463 71.345 -0.591 11.315 1.00 0.00 O ATOM 858 OE2 GLU A 463 71.722 -1.921 9.664 1.00 0.00 O ATOM 0 H GLU A 463 71.103 2.863 7.409 1.00 0.00 H new ATOM 0 HA GLU A 463 68.675 1.525 8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 463 71.461 1.232 8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.068 1.630 10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 463 69.176 -0.174 9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 463 70.006 -0.696 8.360 1.00 0.00 H new ATOM 865 N ARG A 464 69.714 3.887 10.266 1.00 0.00 N ATOM 866 CA ARG A 464 69.223 4.738 11.394 1.00 0.00 C ATOM 867 C ARG A 464 67.939 5.459 10.986 1.00 0.00 C ATOM 868 O ARG A 464 66.876 5.190 11.510 1.00 0.00 O ATOM 869 CB ARG A 464 70.346 5.745 11.655 1.00 0.00 C ATOM 870 CG ARG A 464 70.594 5.858 13.161 1.00 0.00 C ATOM 871 CD ARG A 464 69.528 6.758 13.790 1.00 0.00 C ATOM 872 NE ARG A 464 69.780 8.110 13.222 1.00 0.00 N ATOM 873 CZ ARG A 464 70.639 8.910 13.796 1.00 0.00 C ATOM 874 NH1 ARG A 464 71.899 8.862 13.463 1.00 0.00 N ATOM 875 NH2 ARG A 464 70.234 9.757 14.702 1.00 0.00 N ATOM 0 H ARG A 464 70.658 4.098 9.942 1.00 0.00 H new ATOM 0 HA ARG A 464 68.991 4.152 12.283 1.00 0.00 H new ATOM 0 HB2 ARG A 464 71.258 5.428 11.149 1.00 0.00 H new ATOM 0 HB3 ARG A 464 70.077 6.719 11.246 1.00 0.00 H new ATOM 0 HG2 ARG A 464 70.567 4.870 13.620 1.00 0.00 H new ATOM 0 HG3 ARG A 464 71.587 6.268 13.347 1.00 0.00 H new ATOM 0 HD2 ARG A 464 68.524 6.409 13.548 1.00 0.00 H new ATOM 0 HD3 ARG A 464 69.609 6.765 14.877 1.00 0.00 H new ATOM 0 HE ARG A 464 69.282 8.412 12.385 1.00 0.00 H new ATOM 0 HH11 ARG A 464 72.214 8.200 12.754 1.00 0.00 H new ATOM 0 HH12 ARG A 464 72.569 9.487 13.911 1.00 0.00 H new ATOM 0 HH21 ARG A 464 69.248 9.794 14.961 1.00 0.00 H new ATOM 0 HH22 ARG A 464 70.903 10.382 15.151 1.00 0.00 H new ATOM 889 N THR A 465 68.028 6.370 10.050 1.00 0.00 N ATOM 890 CA THR A 465 66.807 7.107 9.602 1.00 0.00 C ATOM 891 C THR A 465 65.668 6.118 9.331 1.00 0.00 C ATOM 892 O THR A 465 64.521 6.391 9.613 1.00 0.00 O ATOM 893 CB THR A 465 67.226 7.820 8.316 1.00 0.00 C ATOM 894 OG1 THR A 465 68.296 8.712 8.599 1.00 0.00 O ATOM 895 CG2 THR A 465 66.041 8.605 7.751 1.00 0.00 C ATOM 0 H THR A 465 68.892 6.635 9.577 1.00 0.00 H new ATOM 0 HA THR A 465 66.444 7.809 10.352 1.00 0.00 H new ATOM 0 HB THR A 465 67.550 7.082 7.582 1.00 0.00 H new ATOM 0 HG1 THR A 465 68.567 9.169 7.776 1.00 0.00 H new ATOM 0 HG21 THR A 465 66.344 9.112 6.835 1.00 0.00 H new ATOM 0 HG22 THR A 465 65.222 7.920 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 465 65.712 9.343 8.482 1.00 0.00 H new ATOM 903 N LEU A 466 65.986 4.963 8.805 1.00 0.00 N ATOM 904 CA LEU A 466 64.926 3.947 8.540 1.00 0.00 C ATOM 905 C LEU A 466 64.314 3.508 9.871 1.00 0.00 C ATOM 906 O LEU A 466 63.116 3.349 9.993 1.00 0.00 O ATOM 907 CB LEU A 466 65.651 2.780 7.860 1.00 0.00 C ATOM 908 CG LEU A 466 64.655 1.664 7.536 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.196 0.814 6.384 1.00 0.00 C ATOM 910 CD2 LEU A 466 64.462 0.778 8.769 1.00 0.00 C ATOM 0 H LEU A 466 66.932 4.681 8.548 1.00 0.00 H new ATOM 0 HA LEU A 466 64.117 4.326 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.134 3.124 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 466 66.437 2.399 8.512 1.00 0.00 H new ATOM 0 HG LEU A 466 63.700 2.104 7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 466 64.486 0.019 6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 466 65.337 1.441 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 466 66.151 0.375 6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 466 63.753 -0.017 8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 466 65.418 0.339 9.055 1.00 0.00 H new ATOM 0 HD23 LEU A 466 64.078 1.380 9.593 1.00 0.00 H new ATOM 922 N ILE A 467 65.133 3.334 10.876 1.00 0.00 N ATOM 923 CA ILE A 467 64.601 2.930 12.208 1.00 0.00 C ATOM 924 C ILE A 467 63.739 4.065 12.751 1.00 0.00 C ATOM 925 O ILE A 467 62.621 3.869 13.186 1.00 0.00 O ATOM 926 CB ILE A 467 65.847 2.697 13.087 1.00 0.00 C ATOM 927 CG1 ILE A 467 65.695 1.369 13.833 1.00 0.00 C ATOM 928 CG2 ILE A 467 66.026 3.833 14.109 1.00 0.00 C ATOM 929 CD1 ILE A 467 67.070 0.717 14.000 1.00 0.00 C ATOM 0 H ILE A 467 66.145 3.454 10.830 1.00 0.00 H new ATOM 0 HA ILE A 467 63.980 2.035 12.175 1.00 0.00 H new ATOM 0 HB ILE A 467 66.725 2.673 12.441 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.240 1.538 14.809 1.00 0.00 H new ATOM 0 HG13 ILE A 467 65.030 0.704 13.282 1.00 0.00 H new ATOM 0 HG21 ILE A 467 66.912 3.642 14.714 1.00 0.00 H new ATOM 0 HG22 ILE A 467 66.144 4.780 13.583 1.00 0.00 H new ATOM 0 HG23 ILE A 467 65.149 3.883 14.755 1.00 0.00 H new ATOM 0 HD11 ILE A 467 66.962 -0.229 14.531 1.00 0.00 H new ATOM 0 HD12 ILE A 467 67.508 0.534 13.019 1.00 0.00 H new ATOM 0 HD13 ILE A 467 67.721 1.381 14.569 1.00 0.00 H new ATOM 941 N HIS A 468 64.266 5.256 12.716 1.00 0.00 N ATOM 942 CA HIS A 468 63.508 6.430 13.217 1.00 0.00 C ATOM 943 C HIS A 468 62.192 6.546 12.444 1.00 0.00 C ATOM 944 O HIS A 468 61.135 6.727 13.015 1.00 0.00 O ATOM 945 CB HIS A 468 64.431 7.624 12.938 1.00 0.00 C ATOM 946 CG HIS A 468 63.705 8.906 13.217 1.00 0.00 C ATOM 947 ND1 HIS A 468 64.177 9.857 14.107 1.00 0.00 N ATOM 948 CD2 HIS A 468 62.536 9.402 12.720 1.00 0.00 C ATOM 949 CE1 HIS A 468 63.294 10.874 14.116 1.00 0.00 C ATOM 950 NE2 HIS A 468 62.272 10.646 13.285 1.00 0.00 N ATOM 0 H HIS A 468 65.198 5.466 12.358 1.00 0.00 H new ATOM 0 HA HIS A 468 63.248 6.365 14.274 1.00 0.00 H new ATOM 0 HB2 HIS A 468 65.323 7.558 13.561 1.00 0.00 H new ATOM 0 HB3 HIS A 468 64.764 7.603 11.900 1.00 0.00 H new ATOM 0 HD2 HIS A 468 61.909 8.904 11.996 1.00 0.00 H new ATOM 0 HE1 HIS A 468 63.399 11.763 14.720 1.00 0.00 H new ATOM 0 HE2 HIS A 468 61.472 11.252 13.104 1.00 0.00 H new ATOM 958 N LEU A 469 62.258 6.435 11.147 1.00 0.00 N ATOM 959 CA LEU A 469 61.021 6.531 10.319 1.00 0.00 C ATOM 960 C LEU A 469 60.080 5.360 10.623 1.00 0.00 C ATOM 961 O LEU A 469 58.920 5.379 10.260 1.00 0.00 O ATOM 962 CB LEU A 469 61.512 6.469 8.871 1.00 0.00 C ATOM 963 CG LEU A 469 61.511 7.878 8.275 1.00 0.00 C ATOM 964 CD1 LEU A 469 62.272 7.874 6.948 1.00 0.00 C ATOM 965 CD2 LEU A 469 60.067 8.328 8.036 1.00 0.00 C ATOM 0 H LEU A 469 63.119 6.281 10.621 1.00 0.00 H new ATOM 0 HA LEU A 469 60.459 7.442 10.521 1.00 0.00 H new ATOM 0 HB2 LEU A 469 62.516 6.047 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.868 5.813 8.285 1.00 0.00 H new ATOM 0 HG LEU A 469 61.997 8.566 8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 469 62.270 8.878 6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 469 63.300 7.554 7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.789 7.187 6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 469 60.064 9.332 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 469 59.581 7.640 7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 469 59.526 8.333 8.982 1.00 0.00 H new ATOM 977 N SER A 470 60.567 4.344 11.288 1.00 0.00 N ATOM 978 CA SER A 470 59.692 3.180 11.614 1.00 0.00 C ATOM 979 C SER A 470 59.033 3.371 12.986 1.00 0.00 C ATOM 980 O SER A 470 58.274 2.534 13.437 1.00 0.00 O ATOM 981 CB SER A 470 60.632 1.975 11.636 1.00 0.00 C ATOM 982 OG SER A 470 59.942 0.833 11.146 1.00 0.00 O ATOM 0 H SER A 470 61.529 4.271 11.618 1.00 0.00 H new ATOM 0 HA SER A 470 58.885 3.058 10.892 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.511 2.174 11.023 1.00 0.00 H new ATOM 0 HB3 SER A 470 60.985 1.793 12.651 1.00 0.00 H new ATOM 0 HG SER A 470 60.542 0.058 11.157 1.00 0.00 H new ATOM 988 N GLU A 471 59.314 4.461 13.654 1.00 0.00 N ATOM 989 CA GLU A 471 58.699 4.694 14.995 1.00 0.00 C ATOM 990 C GLU A 471 57.186 4.890 14.859 1.00 0.00 C ATOM 991 O GLU A 471 56.434 4.628 15.778 1.00 0.00 O ATOM 992 CB GLU A 471 59.358 5.971 15.520 1.00 0.00 C ATOM 993 CG GLU A 471 60.579 5.607 16.367 1.00 0.00 C ATOM 994 CD GLU A 471 61.505 6.819 16.474 1.00 0.00 C ATOM 995 OE1 GLU A 471 60.995 7.919 16.604 1.00 0.00 O ATOM 996 OE2 GLU A 471 62.709 6.627 16.425 1.00 0.00 O ATOM 0 H GLU A 471 59.941 5.197 13.330 1.00 0.00 H new ATOM 0 HA GLU A 471 58.851 3.850 15.668 1.00 0.00 H new ATOM 0 HB2 GLU A 471 59.657 6.607 14.687 1.00 0.00 H new ATOM 0 HB3 GLU A 471 58.646 6.541 16.116 1.00 0.00 H new ATOM 0 HG2 GLU A 471 60.264 5.288 17.360 1.00 0.00 H new ATOM 0 HG3 GLU A 471 61.110 4.769 15.917 1.00 0.00 H new ATOM 1003 N GLY A 472 56.736 5.351 13.722 1.00 0.00 N ATOM 1004 CA GLY A 472 55.272 5.564 13.529 1.00 0.00 C ATOM 1005 C GLY A 472 54.914 7.006 13.887 1.00 0.00 C ATOM 1006 O GLY A 472 53.821 7.290 14.337 1.00 0.00 O ATOM 0 H GLY A 472 57.319 5.589 12.919 1.00 0.00 H new ATOM 0 HA2 GLY A 472 54.997 5.356 12.495 1.00 0.00 H new ATOM 0 HA3 GLY A 472 54.708 4.872 14.154 1.00 0.00 H new ATOM 1010 N SER A 473 55.826 7.921 13.691 1.00 0.00 N ATOM 1011 CA SER A 473 55.538 9.348 14.020 1.00 0.00 C ATOM 1012 C SER A 473 55.888 10.245 12.829 1.00 0.00 C ATOM 1013 O SER A 473 56.279 11.384 12.993 1.00 0.00 O ATOM 1014 CB SER A 473 56.434 9.668 15.214 1.00 0.00 C ATOM 1015 OG SER A 473 55.817 10.673 16.007 1.00 0.00 O ATOM 0 H SER A 473 56.758 7.742 13.317 1.00 0.00 H new ATOM 0 HA SER A 473 54.485 9.516 14.246 1.00 0.00 H new ATOM 0 HB2 SER A 473 56.601 8.770 15.809 1.00 0.00 H new ATOM 0 HB3 SER A 473 57.411 10.008 14.870 1.00 0.00 H new ATOM 0 HG SER A 473 56.389 10.880 16.776 1.00 0.00 H new ATOM 1021 N ASN A 474 55.752 9.738 11.634 1.00 0.00 N ATOM 1022 CA ASN A 474 56.077 10.557 10.430 1.00 0.00 C ATOM 1023 C ASN A 474 55.443 9.937 9.182 1.00 0.00 C ATOM 1024 O ASN A 474 55.624 8.769 8.899 1.00 0.00 O ATOM 1025 CB ASN A 474 57.602 10.523 10.330 1.00 0.00 C ATOM 1026 CG ASN A 474 58.071 11.568 9.316 1.00 0.00 C ATOM 1027 OD1 ASN A 474 58.307 12.708 9.664 1.00 0.00 O ATOM 1028 ND2 ASN A 474 58.219 11.225 8.066 1.00 0.00 N ATOM 0 H ASN A 474 55.429 8.790 11.439 1.00 0.00 H new ATOM 0 HA ASN A 474 55.696 11.575 10.507 1.00 0.00 H new ATOM 0 HB2 ASN A 474 58.045 10.723 11.305 1.00 0.00 H new ATOM 0 HB3 ASN A 474 57.935 9.531 10.026 1.00 0.00 H new ATOM 0 HD21 ASN A 474 58.533 11.914 7.382 1.00 0.00 H new ATOM 0 HD22 ASN A 474 58.021 10.268 7.773 1.00 0.00 H new ATOM 1035 N LYS A 475 54.700 10.709 8.437 1.00 0.00 N ATOM 1036 CA LYS A 475 54.054 10.163 7.208 1.00 0.00 C ATOM 1037 C LYS A 475 55.122 9.734 6.200 1.00 0.00 C ATOM 1038 O LYS A 475 55.480 10.475 5.306 1.00 0.00 O ATOM 1039 CB LYS A 475 53.219 11.317 6.648 1.00 0.00 C ATOM 1040 CG LYS A 475 51.765 11.163 7.100 1.00 0.00 C ATOM 1041 CD LYS A 475 51.169 12.543 7.400 1.00 0.00 C ATOM 1042 CE LYS A 475 50.356 12.482 8.697 1.00 0.00 C ATOM 1043 NZ LYS A 475 48.933 12.467 8.259 1.00 0.00 N ATOM 0 H LYS A 475 54.512 11.694 8.625 1.00 0.00 H new ATOM 0 HA LYS A 475 53.442 9.286 7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 475 53.619 12.270 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 475 53.274 11.324 5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 475 51.183 10.666 6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 475 51.715 10.533 7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 475 51.965 13.282 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 475 50.532 12.862 6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 475 50.601 11.591 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 475 50.564 13.342 9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 48.313 12.426 9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 48.727 13.331 7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 48.763 11.634 7.660 1.00 0.00 H new ATOM 1057 N TYR A 476 55.632 8.538 6.339 1.00 0.00 N ATOM 1058 CA TYR A 476 56.680 8.052 5.391 1.00 0.00 C ATOM 1059 C TYR A 476 56.181 8.161 3.946 1.00 0.00 C ATOM 1060 O TYR A 476 55.133 7.652 3.600 1.00 0.00 O ATOM 1061 CB TYR A 476 56.906 6.587 5.768 1.00 0.00 C ATOM 1062 CG TYR A 476 58.283 6.154 5.323 1.00 0.00 C ATOM 1063 CD1 TYR A 476 58.637 6.224 3.970 1.00 0.00 C ATOM 1064 CD2 TYR A 476 59.206 5.683 6.264 1.00 0.00 C ATOM 1065 CE1 TYR A 476 59.913 5.820 3.558 1.00 0.00 C ATOM 1066 CE2 TYR A 476 60.482 5.280 5.852 1.00 0.00 C ATOM 1067 CZ TYR A 476 60.835 5.349 4.499 1.00 0.00 C ATOM 1068 OH TYR A 476 62.092 4.951 4.092 1.00 0.00 O ATOM 0 H TYR A 476 55.368 7.876 7.069 1.00 0.00 H new ATOM 0 HA TYR A 476 57.597 8.638 5.456 1.00 0.00 H new ATOM 0 HB2 TYR A 476 56.804 6.459 6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 476 56.148 5.960 5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 476 57.926 6.590 3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 476 58.934 5.630 7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.185 5.872 2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 476 61.194 4.916 6.578 1.00 0.00 H new ATOM 0 HH TYR A 476 62.260 5.277 3.183 1.00 0.00 H new ATOM 1078 N TYR A 477 56.927 8.823 3.102 1.00 0.00 N ATOM 1079 CA TYR A 477 56.501 8.968 1.680 1.00 0.00 C ATOM 1080 C TYR A 477 57.638 8.550 0.743 1.00 0.00 C ATOM 1081 O TYR A 477 58.784 8.897 0.951 1.00 0.00 O ATOM 1082 CB TYR A 477 56.188 10.455 1.509 1.00 0.00 C ATOM 1083 CG TYR A 477 54.705 10.684 1.683 1.00 0.00 C ATOM 1084 CD1 TYR A 477 53.802 10.172 0.742 1.00 0.00 C ATOM 1085 CD2 TYR A 477 54.233 11.409 2.783 1.00 0.00 C ATOM 1086 CE1 TYR A 477 52.429 10.385 0.903 1.00 0.00 C ATOM 1087 CE2 TYR A 477 52.859 11.622 2.944 1.00 0.00 C ATOM 1088 CZ TYR A 477 51.956 11.110 2.004 1.00 0.00 C ATOM 1089 OH TYR A 477 50.602 11.322 2.161 1.00 0.00 O ATOM 0 H TYR A 477 57.813 9.270 3.336 1.00 0.00 H new ATOM 0 HA TYR A 477 55.643 8.340 1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 477 56.745 11.041 2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 477 56.505 10.793 0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 477 54.166 9.613 -0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 477 54.929 11.804 3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 477 51.733 9.990 0.178 1.00 0.00 H new ATOM 0 HE2 TYR A 477 52.495 12.181 3.793 1.00 0.00 H new ATOM 0 HH TYR A 477 50.115 10.500 1.942 1.00 0.00 H new ATOM 1099 N CYS A 478 57.328 7.808 -0.286 1.00 0.00 N ATOM 1100 CA CYS A 478 58.389 7.370 -1.239 1.00 0.00 C ATOM 1101 C CYS A 478 59.048 8.599 -1.884 1.00 0.00 C ATOM 1102 O CYS A 478 58.901 9.709 -1.410 1.00 0.00 O ATOM 1103 CB CYS A 478 57.658 6.495 -2.275 1.00 0.00 C ATOM 1104 SG CYS A 478 56.966 7.516 -3.601 1.00 0.00 S ATOM 0 H CYS A 478 56.386 7.486 -0.508 1.00 0.00 H new ATOM 0 HA CYS A 478 59.192 6.812 -0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.350 5.765 -2.695 1.00 0.00 H new ATOM 0 HB3 CYS A 478 56.861 5.934 -1.787 1.00 0.00 H new ATOM 1109 N ASN A 479 59.775 8.412 -2.954 1.00 0.00 N ATOM 1110 CA ASN A 479 60.439 9.575 -3.617 1.00 0.00 C ATOM 1111 C ASN A 479 59.530 10.173 -4.697 1.00 0.00 C ATOM 1112 O ASN A 479 59.501 11.372 -4.900 1.00 0.00 O ATOM 1113 CB ASN A 479 61.712 9.000 -4.245 1.00 0.00 C ATOM 1114 CG ASN A 479 62.941 9.566 -3.529 1.00 0.00 C ATOM 1115 OD1 ASN A 479 62.898 10.653 -2.989 1.00 0.00 O ATOM 1116 ND2 ASN A 479 64.043 8.868 -3.500 1.00 0.00 N ATOM 0 H ASN A 479 59.938 7.508 -3.397 1.00 0.00 H new ATOM 0 HA ASN A 479 60.656 10.378 -2.912 1.00 0.00 H new ATOM 0 HB2 ASN A 479 61.706 7.912 -4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.750 9.249 -5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 479 64.867 9.235 -3.024 1.00 0.00 H new ATOM 0 HD22 ASN A 479 64.080 7.955 -3.953 1.00 0.00 H new ATOM 1123 N GLU A 480 58.800 9.347 -5.397 1.00 0.00 N ATOM 1124 CA GLU A 480 57.901 9.864 -6.473 1.00 0.00 C ATOM 1125 C GLU A 480 56.609 10.452 -5.887 1.00 0.00 C ATOM 1126 O GLU A 480 55.740 10.892 -6.615 1.00 0.00 O ATOM 1127 CB GLU A 480 57.584 8.644 -7.338 1.00 0.00 C ATOM 1128 CG GLU A 480 57.224 9.098 -8.754 1.00 0.00 C ATOM 1129 CD GLU A 480 57.066 7.874 -9.658 1.00 0.00 C ATOM 1130 OE1 GLU A 480 56.183 7.076 -9.392 1.00 0.00 O ATOM 1131 OE2 GLU A 480 57.831 7.755 -10.600 1.00 0.00 O ATOM 0 H GLU A 480 58.786 8.335 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 480 58.373 10.667 -7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.443 7.974 -7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 480 56.757 8.083 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 480 56.299 9.674 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 480 58.001 9.754 -9.145 1.00 0.00 H new ATOM 1138 N HIS A 481 56.470 10.468 -4.586 1.00 0.00 N ATOM 1139 CA HIS A 481 55.229 11.031 -3.978 1.00 0.00 C ATOM 1140 C HIS A 481 55.581 11.948 -2.804 1.00 0.00 C ATOM 1141 O HIS A 481 54.813 12.105 -1.875 1.00 0.00 O ATOM 1142 CB HIS A 481 54.436 9.819 -3.491 1.00 0.00 C ATOM 1143 CG HIS A 481 53.972 9.013 -4.674 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.092 7.618 -4.720 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.392 9.380 -5.868 1.00 0.00 C ATOM 1146 CE1 HIS A 481 53.597 7.205 -5.905 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.171 8.239 -6.611 1.00 0.00 N ATOM 0 H HIS A 481 57.160 10.117 -3.922 1.00 0.00 H new ATOM 0 HA HIS A 481 54.660 11.630 -4.689 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.056 9.204 -2.839 1.00 0.00 H new ATOM 0 HB3 HIS A 481 53.579 10.145 -2.901 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.151 10.388 -6.171 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.555 6.176 -6.231 1.00 0.00 H new ATOM 0 HE2 HIS A 481 52.753 8.200 -7.541 1.00 0.00 H new ATOM 1155 N VAL A 482 56.737 12.554 -2.840 1.00 0.00 N ATOM 1156 CA VAL A 482 57.139 13.463 -1.727 1.00 0.00 C ATOM 1157 C VAL A 482 56.741 14.901 -2.053 1.00 0.00 C ATOM 1158 O VAL A 482 56.472 15.701 -1.178 1.00 0.00 O ATOM 1159 CB VAL A 482 58.661 13.322 -1.628 1.00 0.00 C ATOM 1160 CG1 VAL A 482 59.330 13.929 -2.866 1.00 0.00 C ATOM 1161 CG2 VAL A 482 59.158 14.047 -0.375 1.00 0.00 C ATOM 0 H VAL A 482 57.420 12.459 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 482 56.651 13.210 -0.786 1.00 0.00 H new ATOM 0 HB VAL A 482 58.917 12.264 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 482 60.412 13.823 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 482 58.981 13.411 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 482 59.074 14.986 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 482 60.241 13.948 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 482 58.894 15.103 -0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 482 58.694 13.608 0.508 1.00 0.00 H new ATOM 1171 N GLN A 483 56.705 15.227 -3.310 1.00 0.00 N ATOM 1172 CA GLN A 483 56.327 16.610 -3.722 1.00 0.00 C ATOM 1173 C GLN A 483 55.177 16.567 -4.733 1.00 0.00 C ATOM 1174 O GLN A 483 55.325 16.962 -5.873 1.00 0.00 O ATOM 1175 CB GLN A 483 57.588 17.189 -4.367 1.00 0.00 C ATOM 1176 CG GLN A 483 57.650 18.694 -4.103 1.00 0.00 C ATOM 1177 CD GLN A 483 59.111 19.139 -4.019 1.00 0.00 C ATOM 1178 OE1 GLN A 483 59.740 19.011 -2.987 1.00 0.00 O ATOM 1179 NE2 GLN A 483 59.684 19.659 -5.070 1.00 0.00 N ATOM 0 H GLN A 483 56.922 14.593 -4.079 1.00 0.00 H new ATOM 0 HA GLN A 483 55.986 17.213 -2.880 1.00 0.00 H new ATOM 0 HB2 GLN A 483 58.474 16.701 -3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 483 57.582 16.997 -5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 483 57.140 19.235 -4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 483 57.132 18.932 -3.174 1.00 0.00 H new ATOM 0 HE21 GLN A 483 59.157 19.767 -5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 483 60.658 19.957 -5.025 1.00 0.00 H new ATOM 1188 N ILE A 484 54.031 16.091 -4.321 1.00 0.00 N ATOM 1189 CA ILE A 484 52.870 16.023 -5.258 1.00 0.00 C ATOM 1190 C ILE A 484 51.648 16.709 -4.637 1.00 0.00 C ATOM 1191 O ILE A 484 51.485 16.734 -3.433 1.00 0.00 O ATOM 1192 CB ILE A 484 52.611 14.527 -5.464 1.00 0.00 C ATOM 1193 CG1 ILE A 484 51.510 14.339 -6.513 1.00 0.00 C ATOM 1194 CG2 ILE A 484 52.173 13.885 -4.142 1.00 0.00 C ATOM 1195 CD1 ILE A 484 52.144 14.019 -7.869 1.00 0.00 C ATOM 0 H ILE A 484 53.849 15.747 -3.378 1.00 0.00 H new ATOM 0 HA ILE A 484 53.069 16.531 -6.202 1.00 0.00 H new ATOM 0 HB ILE A 484 53.529 14.049 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 484 50.841 13.532 -6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 484 50.905 15.243 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 484 51.991 12.822 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 484 52.958 14.014 -3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 484 51.258 14.363 -3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 484 51.360 13.885 -8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 484 52.794 14.840 -8.169 1.00 0.00 H new ATOM 0 HD13 ILE A 484 52.729 13.103 -7.790 1.00 0.00 H new ATOM 1207 N ALA A 485 50.792 17.269 -5.450 1.00 0.00 N ATOM 1208 CA ALA A 485 49.583 17.955 -4.906 1.00 0.00 C ATOM 1209 C ALA A 485 48.333 17.523 -5.678 1.00 0.00 C ATOM 1210 O ALA A 485 47.401 18.285 -5.842 1.00 0.00 O ATOM 1211 CB ALA A 485 49.850 19.447 -5.112 1.00 0.00 C ATOM 0 H ALA A 485 50.877 17.281 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 485 49.407 17.711 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 485 49.004 20.023 -4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 485 50.752 19.733 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 485 49.984 19.649 -6.175 1.00 0.00 H new ATOM 1217 N ARG A 486 48.307 16.307 -6.154 1.00 0.00 N ATOM 1218 CA ARG A 486 47.116 15.826 -6.915 1.00 0.00 C ATOM 1219 C ARG A 486 47.190 14.310 -7.117 1.00 0.00 C ATOM 1220 O ARG A 486 48.257 13.745 -7.262 1.00 0.00 O ATOM 1221 CB ARG A 486 47.180 16.554 -8.261 1.00 0.00 C ATOM 1222 CG ARG A 486 48.495 16.218 -8.970 1.00 0.00 C ATOM 1223 CD ARG A 486 48.432 16.698 -10.424 1.00 0.00 C ATOM 1224 NE ARG A 486 49.491 17.739 -10.532 1.00 0.00 N ATOM 1225 CZ ARG A 486 49.164 18.981 -10.766 1.00 0.00 C ATOM 1226 NH1 ARG A 486 48.544 19.296 -11.870 1.00 0.00 N ATOM 1227 NH2 ARG A 486 49.457 19.907 -9.895 1.00 0.00 N ATOM 0 H ARG A 486 49.059 15.625 -6.049 1.00 0.00 H new ATOM 0 HA ARG A 486 46.183 16.028 -6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 486 46.335 16.261 -8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 486 47.104 17.630 -8.107 1.00 0.00 H new ATOM 0 HG2 ARG A 486 49.329 16.694 -8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 486 48.672 15.143 -8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 486 48.613 15.878 -11.119 1.00 0.00 H new ATOM 0 HD3 ARG A 486 47.450 17.107 -10.662 1.00 0.00 H new ATOM 0 HE ARG A 486 50.472 17.482 -10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 486 48.315 18.572 -12.551 1.00 0.00 H new ATOM 0 HH12 ARG A 486 48.289 20.267 -12.052 1.00 0.00 H new ATOM 0 HH21 ARG A 486 49.941 19.660 -9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 486 49.202 20.878 -10.077 1.00 0.00 H new ATOM 1241 N ALA A 487 46.062 13.646 -7.128 1.00 0.00 N ATOM 1242 CA ALA A 487 46.055 12.163 -7.322 1.00 0.00 C ATOM 1243 C ALA A 487 47.008 11.488 -6.330 1.00 0.00 C ATOM 1244 O ALA A 487 48.173 11.341 -6.662 1.00 0.00 O ATOM 1245 CB ALA A 487 46.532 11.947 -8.760 1.00 0.00 C ATOM 1246 OXT ALA A 487 46.555 11.129 -5.255 1.00 0.00 O ATOM 0 H ALA A 487 45.141 14.069 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 487 45.068 11.732 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 487 46.554 10.880 -8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 487 45.849 12.445 -9.448 1.00 0.00 H new ATOM 0 HB3 ALA A 487 47.533 12.362 -8.878 1.00 0.00 H new TER 1252 ALA A 487 HETATM 1253 ZN ZN A 488 64.718 0.488 -5.271 1.00 0.00 ZN HETATM 1254 ZN ZN A 489 54.929 6.394 -3.311 1.00 0.00 ZN