USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 473 THR OG1 : rot -82:sc= 1.67 USER MOD Set 1.2: A 479 TYR OH : rot 53:sc= -0.0221 USER MOD Single : A 413 ASN : amide:sc= -0.894 X(o=-0.89,f=-0.81) USER MOD Single : A 416 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 420 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ 163:sc= -1.84 (180deg=-2.25) USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.188) USER MOD Single : A 427 GLN : amide:sc= -2.61! C(o=-2.6!,f=-2!) USER MOD Single : A 429 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 431 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= -0.702 K(o=-0.7,f=0) USER MOD Single : A 437 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.088) USER MOD Single : A 447 HIS : no HE2:sc= -15.1! C(o=-15!,f=-14!) USER MOD Single : A 449 LYS NZ :NH3+ 158:sc= -0.0013 (180deg=-0.374) USER MOD Single : A 450 ASN : amide:sc= -8.08! C(o=-8.1!,f=-14!) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ -176:sc= -0.156 (180deg=-0.388) USER MOD Single : A 462 THR OG1 : rot 180:sc= 0 USER MOD Single : A 466 CYS SG : rot 82:sc= -1.89 USER MOD Single : A 469 TYR OH : rot 30:sc= -3.82! USER MOD Single : A 470 TYR OH : rot 180:sc= 0 USER MOD Single : A 471 TYR OH : rot 165:sc= -3.48! USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 ASN : amide:sc= -0.0877 K(o=-0.088,f=-4.3!) USER MOD Single : A 478 ASN : amide:sc= -0.124 K(o=-0.12,f=-2!) USER MOD Single : A 480 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.269) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 413 -0.856 -2.840 26.640 1.00 10.00 N ATOM 2 CA ASN A 413 0.023 -2.136 25.713 1.00 10.00 C ATOM 3 C ASN A 413 -0.410 -2.368 24.270 1.00 10.00 C ATOM 4 O ASN A 413 0.001 -3.340 23.635 1.00 10.00 O ATOM 5 CB ASN A 413 1.470 -2.595 25.904 1.00 10.00 C ATOM 6 CG ASN A 413 1.618 -4.101 25.806 1.00 10.00 C ATOM 7 OD1 ASN A 413 1.271 -4.831 26.735 1.00 10.00 O ATOM 8 ND2 ASN A 413 2.135 -4.573 24.679 1.00 10.00 N ATOM 0 HA ASN A 413 -0.044 -1.069 25.926 1.00 10.00 H new ATOM 0 HB2 ASN A 413 2.101 -2.121 25.152 1.00 10.00 H new ATOM 0 HB3 ASN A 413 1.829 -2.260 26.877 1.00 10.00 H new ATOM 0 HD21 ASN A 413 2.259 -5.578 24.556 1.00 10.00 H new ATOM 0 HD22 ASN A 413 2.409 -3.931 23.935 1.00 10.00 H new ATOM 15 N GLY A 414 -1.243 -1.469 23.756 1.00 10.00 N ATOM 16 CA GLY A 414 -1.718 -1.594 22.391 1.00 10.00 C ATOM 17 C GLY A 414 -2.396 -0.332 21.895 1.00 10.00 C ATOM 18 O GLY A 414 -3.515 -0.379 21.385 1.00 10.00 O ATOM 0 H GLY A 414 -1.597 -0.656 24.260 1.00 10.00 H new ATOM 0 HA2 GLY A 414 -0.879 -1.832 21.738 1.00 10.00 H new ATOM 0 HA3 GLY A 414 -2.418 -2.427 22.328 1.00 10.00 H new ATOM 22 N LEU A 415 -1.715 0.800 22.045 1.00 10.00 N ATOM 23 CA LEU A 415 -2.258 2.081 21.609 1.00 10.00 C ATOM 24 C LEU A 415 -2.522 2.078 20.106 1.00 10.00 C ATOM 25 O LEU A 415 -3.618 2.411 19.657 1.00 10.00 O ATOM 26 CB LEU A 415 -1.296 3.216 21.966 1.00 10.00 C ATOM 27 CG LEU A 415 -1.317 3.645 23.434 1.00 10.00 C ATOM 28 CD1 LEU A 415 -0.429 2.735 24.269 1.00 10.00 C ATOM 29 CD2 LEU A 415 -0.878 5.095 23.571 1.00 10.00 C ATOM 0 H LEU A 415 -0.787 0.856 22.465 1.00 10.00 H new ATOM 0 HA LEU A 415 -3.204 2.240 22.126 1.00 10.00 H new ATOM 0 HB2 LEU A 415 -0.283 2.908 21.708 1.00 10.00 H new ATOM 0 HB3 LEU A 415 -1.533 4.081 21.347 1.00 10.00 H new ATOM 0 HG LEU A 415 -2.339 3.559 23.804 1.00 10.00 H new ATOM 0 HD11 LEU A 415 -0.457 3.056 25.310 1.00 10.00 H new ATOM 0 HD12 LEU A 415 -0.789 1.709 24.196 1.00 10.00 H new ATOM 0 HD13 LEU A 415 0.595 2.788 23.900 1.00 10.00 H new ATOM 0 HD21 LEU A 415 -0.899 5.384 24.622 1.00 10.00 H new ATOM 0 HD22 LEU A 415 0.135 5.207 23.184 1.00 10.00 H new ATOM 0 HD23 LEU A 415 -1.555 5.735 23.005 1.00 10.00 H new ATOM 41 N MET A 416 -1.509 1.698 19.334 1.00 10.00 N ATOM 42 CA MET A 416 -1.631 1.650 17.881 1.00 10.00 C ATOM 43 C MET A 416 -1.330 0.251 17.355 1.00 10.00 C ATOM 44 O MET A 416 -1.134 -0.686 18.131 1.00 10.00 O ATOM 45 CB MET A 416 -0.684 2.664 17.235 1.00 10.00 C ATOM 46 CG MET A 416 0.786 2.373 17.492 1.00 10.00 C ATOM 47 SD MET A 416 1.780 3.872 17.615 1.00 10.00 S ATOM 48 CE MET A 416 2.723 3.532 19.099 1.00 10.00 C ATOM 0 H MET A 416 -0.595 1.419 19.690 1.00 10.00 H new ATOM 0 HA MET A 416 -2.658 1.904 17.620 1.00 10.00 H new ATOM 0 HB2 MET A 416 -0.860 2.679 16.159 1.00 10.00 H new ATOM 0 HB3 MET A 416 -0.920 3.660 17.611 1.00 10.00 H new ATOM 0 HG2 MET A 416 0.883 1.801 18.415 1.00 10.00 H new ATOM 0 HG3 MET A 416 1.175 1.749 16.687 1.00 10.00 H new ATOM 0 HE1 MET A 416 3.387 4.370 19.308 1.00 10.00 H new ATOM 0 HE2 MET A 416 2.042 3.391 19.938 1.00 10.00 H new ATOM 0 HE3 MET A 416 3.314 2.628 18.955 1.00 10.00 H new ATOM 58 N ALA A 417 -1.295 0.114 16.034 1.00 10.00 N ATOM 59 CA ALA A 417 -1.018 -1.171 15.405 1.00 10.00 C ATOM 60 C ALA A 417 -0.662 -0.996 13.933 1.00 10.00 C ATOM 61 O ALA A 417 -1.491 -1.227 13.051 1.00 10.00 O ATOM 62 CB ALA A 417 -2.215 -2.099 15.554 1.00 10.00 C ATOM 0 H ALA A 417 -1.455 0.878 15.378 1.00 10.00 H new ATOM 0 HA ALA A 417 -0.160 -1.617 15.908 1.00 10.00 H new ATOM 0 HB1 ALA A 417 -1.995 -3.056 15.080 1.00 10.00 H new ATOM 0 HB2 ALA A 417 -2.423 -2.258 16.612 1.00 10.00 H new ATOM 0 HB3 ALA A 417 -3.086 -1.649 15.077 1.00 10.00 H new ATOM 68 N ASP A 418 0.576 -0.589 13.674 1.00 10.00 N ATOM 69 CA ASP A 418 1.042 -0.382 12.307 1.00 10.00 C ATOM 70 C ASP A 418 1.560 -1.687 11.702 1.00 10.00 C ATOM 71 O ASP A 418 1.167 -2.062 10.597 1.00 10.00 O ATOM 72 CB ASP A 418 2.139 0.685 12.274 1.00 10.00 C ATOM 73 CG ASP A 418 1.644 2.005 11.719 1.00 10.00 C ATOM 74 OD1 ASP A 418 0.414 2.228 11.722 1.00 10.00 O ATOM 75 OD2 ASP A 418 2.486 2.819 11.282 1.00 10.00 O ATOM 0 H ASP A 418 1.275 -0.396 14.392 1.00 10.00 H new ATOM 0 HA ASP A 418 0.197 -0.039 11.710 1.00 10.00 H new ATOM 0 HB2 ASP A 418 2.523 0.839 13.283 1.00 10.00 H new ATOM 0 HB3 ASP A 418 2.971 0.328 11.667 1.00 10.00 H new ATOM 80 N PRO A 419 2.455 -2.396 12.415 1.00 10.00 N ATOM 81 CA PRO A 419 3.026 -3.662 11.938 1.00 10.00 C ATOM 82 C PRO A 419 1.981 -4.771 11.843 1.00 10.00 C ATOM 83 O PRO A 419 2.061 -5.778 12.547 1.00 10.00 O ATOM 84 CB PRO A 419 4.086 -4.012 12.996 1.00 10.00 C ATOM 85 CG PRO A 419 4.292 -2.760 13.782 1.00 10.00 C ATOM 86 CD PRO A 419 2.986 -2.025 13.735 1.00 10.00 C ATOM 0 HA PRO A 419 3.433 -3.565 10.931 1.00 10.00 H new ATOM 0 HB2 PRO A 419 3.747 -4.826 13.636 1.00 10.00 H new ATOM 0 HB3 PRO A 419 5.015 -4.339 12.528 1.00 10.00 H new ATOM 0 HG2 PRO A 419 4.576 -2.986 14.810 1.00 10.00 H new ATOM 0 HG3 PRO A 419 5.094 -2.158 13.355 1.00 10.00 H new ATOM 0 HD2 PRO A 419 2.319 -2.332 14.541 1.00 10.00 H new ATOM 0 HD3 PRO A 419 3.124 -0.948 13.828 1.00 10.00 H new ATOM 94 N MET A 420 0.999 -4.581 10.968 1.00 10.00 N ATOM 95 CA MET A 420 -0.061 -5.562 10.781 1.00 10.00 C ATOM 96 C MET A 420 -0.414 -5.694 9.309 1.00 10.00 C ATOM 97 O MET A 420 0.085 -6.583 8.629 1.00 10.00 O ATOM 98 CB MET A 420 -1.297 -5.167 11.590 1.00 10.00 C ATOM 99 CG MET A 420 -2.454 -6.144 11.454 1.00 10.00 C ATOM 100 SD MET A 420 -3.607 -6.052 12.837 1.00 10.00 S ATOM 101 CE MET A 420 -4.810 -7.289 12.357 1.00 10.00 C ATOM 0 H MET A 420 0.916 -3.754 10.376 1.00 10.00 H new ATOM 0 HA MET A 420 0.297 -6.528 11.137 1.00 10.00 H new ATOM 0 HB2 MET A 420 -1.022 -5.087 12.642 1.00 10.00 H new ATOM 0 HB3 MET A 420 -1.628 -4.179 11.272 1.00 10.00 H new ATOM 0 HG2 MET A 420 -2.989 -5.941 10.526 1.00 10.00 H new ATOM 0 HG3 MET A 420 -2.061 -7.158 11.380 1.00 10.00 H new ATOM 0 HE1 MET A 420 -5.591 -7.351 13.115 1.00 10.00 H new ATOM 0 HE2 MET A 420 -5.254 -7.013 11.400 1.00 10.00 H new ATOM 0 HE3 MET A 420 -4.318 -8.257 12.263 1.00 10.00 H new ATOM 111 N LYS A 421 -1.269 -4.807 8.815 1.00 10.00 N ATOM 112 CA LYS A 421 -1.673 -4.846 7.415 1.00 10.00 C ATOM 113 C LYS A 421 -0.468 -4.969 6.510 1.00 10.00 C ATOM 114 O LYS A 421 0.218 -3.986 6.232 1.00 10.00 O ATOM 115 CB LYS A 421 -2.468 -3.614 7.036 1.00 10.00 C ATOM 116 CG LYS A 421 -3.438 -3.867 5.903 1.00 10.00 C ATOM 117 CD LYS A 421 -2.733 -4.104 4.573 1.00 10.00 C ATOM 118 CE LYS A 421 -3.211 -5.385 3.907 1.00 10.00 C ATOM 119 NZ LYS A 421 -2.539 -6.589 4.469 1.00 10.00 N ATOM 0 H LYS A 421 -1.694 -4.056 9.359 1.00 10.00 H new ATOM 0 HA LYS A 421 -2.307 -5.723 7.286 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -3.019 -3.261 7.908 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.781 -2.818 6.749 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -4.054 -4.733 6.143 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -4.110 -3.014 5.807 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -2.914 -3.259 3.909 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -1.657 -4.157 4.735 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -4.289 -5.479 4.034 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -3.020 -5.330 2.835 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -3.078 -7.440 4.211 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -1.575 -6.660 4.084 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -2.493 -6.509 5.505 1.00 10.00 H new ATOM 133 N VAL A 422 -0.219 -6.184 6.053 1.00 10.00 N ATOM 134 CA VAL A 422 0.904 -6.453 5.182 1.00 10.00 C ATOM 135 C VAL A 422 0.958 -7.937 4.847 1.00 10.00 C ATOM 136 O VAL A 422 1.154 -8.331 3.698 1.00 10.00 O ATOM 137 CB VAL A 422 2.210 -5.988 5.844 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.701 -6.996 6.875 1.00 10.00 C ATOM 139 CG2 VAL A 422 3.276 -5.714 4.799 1.00 10.00 C ATOM 0 H VAL A 422 -0.786 -7.003 6.275 1.00 10.00 H new ATOM 0 HA VAL A 422 0.779 -5.897 4.253 1.00 10.00 H new ATOM 0 HB VAL A 422 2.002 -5.056 6.370 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.627 -6.636 7.324 1.00 10.00 H new ATOM 0 HG12 VAL A 422 1.946 -7.120 7.651 1.00 10.00 H new ATOM 0 HG13 VAL A 422 2.883 -7.955 6.389 1.00 10.00 H new ATOM 0 HG21 VAL A 422 4.192 -5.386 5.291 1.00 10.00 H new ATOM 0 HG22 VAL A 422 3.474 -6.625 4.234 1.00 10.00 H new ATOM 0 HG23 VAL A 422 2.929 -4.934 4.121 1.00 10.00 H new ATOM 149 N TYR A 423 0.743 -8.743 5.872 1.00 10.00 N ATOM 150 CA TYR A 423 0.706 -10.196 5.758 1.00 10.00 C ATOM 151 C TYR A 423 -0.048 -10.616 4.498 1.00 10.00 C ATOM 152 O TYR A 423 0.268 -11.634 3.883 1.00 10.00 O ATOM 153 CB TYR A 423 0.011 -10.772 6.999 1.00 10.00 C ATOM 154 CG TYR A 423 -1.291 -10.070 7.311 1.00 10.00 C ATOM 155 CD1 TYR A 423 -1.281 -8.750 7.715 1.00 10.00 C ATOM 156 CD2 TYR A 423 -2.520 -10.704 7.183 1.00 10.00 C ATOM 157 CE1 TYR A 423 -2.433 -8.068 7.984 1.00 10.00 C ATOM 158 CE2 TYR A 423 -3.698 -10.027 7.451 1.00 10.00 C ATOM 159 CZ TYR A 423 -3.648 -8.706 7.851 1.00 10.00 C ATOM 160 OH TYR A 423 -4.814 -8.024 8.121 1.00 10.00 O ATOM 0 H TYR A 423 0.587 -8.405 6.822 1.00 10.00 H new ATOM 0 HA TYR A 423 1.724 -10.579 5.690 1.00 10.00 H new ATOM 0 HB2 TYR A 423 -0.180 -11.834 6.844 1.00 10.00 H new ATOM 0 HB3 TYR A 423 0.679 -10.690 7.856 1.00 10.00 H new ATOM 0 HD1 TYR A 423 -0.334 -8.242 7.821 1.00 10.00 H new ATOM 0 HD2 TYR A 423 -2.557 -11.737 6.871 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -2.393 -7.036 8.299 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -4.649 -10.528 7.348 1.00 10.00 H new ATOM 0 HH TYR A 423 -5.581 -8.617 7.977 1.00 10.00 H new ATOM 170 N LYS A 424 -1.049 -9.819 4.118 1.00 10.00 N ATOM 171 CA LYS A 424 -1.844 -10.109 2.927 1.00 10.00 C ATOM 172 C LYS A 424 -1.289 -9.378 1.706 1.00 10.00 C ATOM 173 O LYS A 424 -1.495 -9.801 0.569 1.00 10.00 O ATOM 174 CB LYS A 424 -3.306 -9.716 3.157 1.00 10.00 C ATOM 175 CG LYS A 424 -4.288 -10.845 2.888 1.00 10.00 C ATOM 176 CD LYS A 424 -4.328 -11.209 1.413 1.00 10.00 C ATOM 177 CE LYS A 424 -4.547 -12.700 1.214 1.00 10.00 C ATOM 178 NZ LYS A 424 -5.724 -13.196 1.981 1.00 10.00 N ATOM 0 H LYS A 424 -1.326 -8.973 4.616 1.00 10.00 H new ATOM 0 HA LYS A 424 -1.790 -11.181 2.736 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -3.425 -9.379 4.187 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -3.552 -8.871 2.514 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -4.006 -11.721 3.472 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -5.284 -10.549 3.218 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -5.127 -10.654 0.922 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -3.394 -10.911 0.938 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -4.691 -12.907 0.154 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -3.655 -13.243 1.527 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -5.974 -14.151 1.654 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -5.491 -13.226 2.994 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -6.531 -12.557 1.831 1.00 10.00 H new ATOM 192 N ASP A 425 -0.586 -8.276 1.951 1.00 10.00 N ATOM 193 CA ASP A 425 0.000 -7.478 0.880 1.00 10.00 C ATOM 194 C ASP A 425 1.000 -8.287 0.054 1.00 10.00 C ATOM 195 O ASP A 425 1.304 -7.931 -1.084 1.00 10.00 O ATOM 196 CB ASP A 425 0.693 -6.244 1.460 1.00 10.00 C ATOM 197 CG ASP A 425 -0.243 -5.058 1.581 1.00 10.00 C ATOM 198 OD1 ASP A 425 -0.402 -4.324 0.583 1.00 10.00 O ATOM 199 OD2 ASP A 425 -0.816 -4.863 2.673 1.00 10.00 O ATOM 0 H ASP A 425 -0.408 -7.914 2.888 1.00 10.00 H new ATOM 0 HA ASP A 425 -0.811 -7.168 0.221 1.00 10.00 H new ATOM 0 HB2 ASP A 425 1.097 -6.486 2.443 1.00 10.00 H new ATOM 0 HB3 ASP A 425 1.537 -5.974 0.826 1.00 10.00 H new ATOM 204 N ARG A 426 1.518 -9.371 0.627 1.00 10.00 N ATOM 205 CA ARG A 426 2.488 -10.210 -0.075 1.00 10.00 C ATOM 206 C ARG A 426 1.986 -10.584 -1.464 1.00 10.00 C ATOM 207 O ARG A 426 2.766 -10.686 -2.410 1.00 10.00 O ATOM 208 CB ARG A 426 2.788 -11.472 0.735 1.00 10.00 C ATOM 209 CG ARG A 426 4.223 -11.957 0.597 1.00 10.00 C ATOM 210 CD ARG A 426 4.304 -13.474 0.645 1.00 10.00 C ATOM 211 NE ARG A 426 5.567 -13.972 0.103 1.00 10.00 N ATOM 212 CZ ARG A 426 5.893 -13.916 -1.186 1.00 10.00 C ATOM 213 NH1 ARG A 426 5.054 -13.388 -2.068 1.00 10.00 N ATOM 214 NH2 ARG A 426 7.062 -14.391 -1.594 1.00 10.00 N ATOM 0 H ARG A 426 1.285 -9.688 1.568 1.00 10.00 H new ATOM 0 HA ARG A 426 3.408 -9.636 -0.188 1.00 10.00 H new ATOM 0 HB2 ARG A 426 2.579 -11.277 1.787 1.00 10.00 H new ATOM 0 HB3 ARG A 426 2.113 -12.267 0.418 1.00 10.00 H new ATOM 0 HG2 ARG A 426 4.641 -11.599 -0.344 1.00 10.00 H new ATOM 0 HG3 ARG A 426 4.830 -11.533 1.397 1.00 10.00 H new ATOM 0 HD2 ARG A 426 4.194 -13.811 1.676 1.00 10.00 H new ATOM 0 HD3 ARG A 426 3.474 -13.899 0.081 1.00 10.00 H new ATOM 0 HE ARG A 426 6.237 -14.387 0.750 1.00 10.00 H new ATOM 0 HH11 ARG A 426 4.153 -13.022 -1.759 1.00 10.00 H new ATOM 0 HH12 ARG A 426 5.310 -13.348 -3.055 1.00 10.00 H new ATOM 0 HH21 ARG A 426 7.710 -14.799 -0.920 1.00 10.00 H new ATOM 0 HH22 ARG A 426 7.313 -14.349 -2.582 1.00 10.00 H new ATOM 228 N GLN A 427 0.678 -10.768 -1.584 1.00 10.00 N ATOM 229 CA GLN A 427 0.073 -11.107 -2.867 1.00 10.00 C ATOM 230 C GLN A 427 -0.580 -9.875 -3.475 1.00 10.00 C ATOM 231 O GLN A 427 -1.572 -9.965 -4.197 1.00 10.00 O ATOM 232 CB GLN A 427 -0.952 -12.242 -2.719 1.00 10.00 C ATOM 233 CG GLN A 427 -1.494 -12.416 -1.306 1.00 10.00 C ATOM 234 CD GLN A 427 -0.479 -13.034 -0.361 1.00 10.00 C ATOM 235 OE1 GLN A 427 0.207 -13.995 -0.709 1.00 10.00 O ATOM 236 NE2 GLN A 427 -0.381 -12.482 0.844 1.00 10.00 N ATOM 0 H GLN A 427 0.016 -10.689 -0.812 1.00 10.00 H new ATOM 0 HA GLN A 427 0.861 -11.458 -3.533 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.786 -12.053 -3.395 1.00 10.00 H new ATOM 0 HB3 GLN A 427 -0.490 -13.177 -3.036 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -1.802 -11.445 -0.917 1.00 10.00 H new ATOM 0 HG3 GLN A 427 -2.384 -13.044 -1.338 1.00 10.00 H new ATOM 0 HE21 GLN A 427 -0.970 -11.686 1.090 1.00 10.00 H new ATOM 0 HE22 GLN A 427 0.283 -12.854 1.523 1.00 10.00 H new ATOM 245 N VAL A 428 0.005 -8.723 -3.173 1.00 10.00 N ATOM 246 CA VAL A 428 -0.482 -7.449 -3.679 1.00 10.00 C ATOM 247 C VAL A 428 0.580 -6.781 -4.535 1.00 10.00 C ATOM 248 O VAL A 428 0.262 -6.098 -5.509 1.00 10.00 O ATOM 249 CB VAL A 428 -0.884 -6.500 -2.539 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.149 -5.099 -3.070 1.00 10.00 C ATOM 251 CG2 VAL A 428 -2.099 -7.041 -1.806 1.00 10.00 C ATOM 0 H VAL A 428 0.826 -8.647 -2.573 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.366 -7.657 -4.281 1.00 10.00 H new ATOM 0 HB VAL A 428 -0.056 -6.438 -1.833 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.432 -4.445 -2.245 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.247 -4.714 -3.546 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -1.958 -5.133 -3.800 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -2.372 -6.358 -1.001 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -2.933 -7.133 -2.502 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -1.865 -8.020 -1.388 1.00 10.00 H new ATOM 261 N MET A 429 1.845 -6.993 -4.181 1.00 10.00 N ATOM 262 CA MET A 429 2.951 -6.418 -4.942 1.00 10.00 C ATOM 263 C MET A 429 2.730 -6.631 -6.440 1.00 10.00 C ATOM 264 O MET A 429 3.215 -5.860 -7.268 1.00 10.00 O ATOM 265 CB MET A 429 4.278 -7.049 -4.513 1.00 10.00 C ATOM 266 CG MET A 429 5.499 -6.320 -5.050 1.00 10.00 C ATOM 267 SD MET A 429 6.849 -7.440 -5.467 1.00 10.00 S ATOM 268 CE MET A 429 7.500 -7.805 -3.838 1.00 10.00 C ATOM 0 H MET A 429 2.129 -7.554 -3.378 1.00 10.00 H new ATOM 0 HA MET A 429 2.991 -5.348 -4.740 1.00 10.00 H new ATOM 0 HB2 MET A 429 4.326 -7.069 -3.424 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.305 -8.085 -4.852 1.00 10.00 H new ATOM 0 HG2 MET A 429 5.217 -5.751 -5.936 1.00 10.00 H new ATOM 0 HG3 MET A 429 5.845 -5.602 -4.307 1.00 10.00 H new ATOM 0 HE1 MET A 429 8.344 -8.489 -3.928 1.00 10.00 H new ATOM 0 HE2 MET A 429 7.831 -6.881 -3.363 1.00 10.00 H new ATOM 0 HE3 MET A 429 6.722 -8.267 -3.230 1.00 10.00 H new ATOM 278 N ASN A 430 1.982 -7.683 -6.773 1.00 10.00 N ATOM 279 CA ASN A 430 1.677 -8.007 -8.158 1.00 10.00 C ATOM 280 C ASN A 430 0.171 -8.165 -8.362 1.00 10.00 C ATOM 281 O ASN A 430 -0.268 -8.851 -9.285 1.00 10.00 O ATOM 282 CB ASN A 430 2.393 -9.296 -8.560 1.00 10.00 C ATOM 283 CG ASN A 430 3.825 -9.053 -8.994 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.765 -9.575 -8.394 1.00 10.00 O ATOM 285 ND2 ASN A 430 3.998 -8.256 -10.042 1.00 10.00 N ATOM 0 H ASN A 430 1.576 -8.327 -6.094 1.00 10.00 H new ATOM 0 HA ASN A 430 2.025 -7.187 -8.787 1.00 10.00 H new ATOM 0 HB2 ASN A 430 2.384 -9.990 -7.720 1.00 10.00 H new ATOM 0 HB3 ASN A 430 1.846 -9.773 -9.373 1.00 10.00 H new ATOM 0 HD21 ASN A 430 4.939 -8.055 -10.380 1.00 10.00 H new ATOM 0 HD22 ASN A 430 3.190 -7.845 -10.509 1.00 10.00 H new ATOM 292 N MET A 431 -0.617 -7.526 -7.497 1.00 10.00 N ATOM 293 CA MET A 431 -2.074 -7.595 -7.584 1.00 10.00 C ATOM 294 C MET A 431 -2.734 -6.986 -6.352 1.00 10.00 C ATOM 295 O MET A 431 -3.111 -7.699 -5.421 1.00 10.00 O ATOM 296 CB MET A 431 -2.542 -9.041 -7.734 1.00 10.00 C ATOM 297 CG MET A 431 -2.938 -9.411 -9.155 1.00 10.00 C ATOM 298 SD MET A 431 -4.722 -9.357 -9.415 1.00 10.00 S ATOM 299 CE MET A 431 -4.996 -10.936 -10.214 1.00 10.00 C ATOM 0 H MET A 431 -0.269 -6.954 -6.727 1.00 10.00 H new ATOM 0 HA MET A 431 -2.369 -7.023 -8.464 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.746 -9.708 -7.403 1.00 10.00 H new ATOM 0 HB3 MET A 431 -3.393 -9.209 -7.074 1.00 10.00 H new ATOM 0 HG2 MET A 431 -2.452 -8.729 -9.853 1.00 10.00 H new ATOM 0 HG3 MET A 431 -2.572 -10.412 -9.381 1.00 10.00 H new ATOM 0 HE1 MET A 431 -6.056 -11.051 -10.439 1.00 10.00 H new ATOM 0 HE2 MET A 431 -4.422 -10.980 -11.140 1.00 10.00 H new ATOM 0 HE3 MET A 431 -4.677 -11.740 -9.551 1.00 10.00 H new ATOM 309 N TRP A 432 -2.904 -5.674 -6.367 1.00 10.00 N ATOM 310 CA TRP A 432 -3.552 -4.979 -5.264 1.00 10.00 C ATOM 311 C TRP A 432 -5.057 -5.096 -5.425 1.00 10.00 C ATOM 312 O TRP A 432 -5.671 -4.393 -6.226 1.00 10.00 O ATOM 313 CB TRP A 432 -3.129 -3.509 -5.209 1.00 10.00 C ATOM 314 CG TRP A 432 -1.700 -3.246 -5.605 1.00 10.00 C ATOM 315 CD1 TRP A 432 -1.127 -3.481 -6.818 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.665 -2.678 -4.787 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.178 -3.065 -6.815 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.487 -2.577 -5.583 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.602 -2.236 -3.468 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.682 -2.048 -5.106 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.585 -1.718 -2.988 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.713 -1.623 -3.808 1.00 10.00 C ATOM 0 H TRP A 432 -2.603 -5.068 -7.130 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.246 -5.440 -4.325 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.784 -2.933 -5.863 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.284 -3.139 -4.196 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.630 -3.931 -7.661 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.816 -3.113 -7.609 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.470 -2.297 -2.829 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.554 -1.976 -5.739 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.642 -1.381 -1.963 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.626 -1.206 -3.408 1.00 10.00 H new ATOM 333 N SER A 433 -5.632 -6.016 -4.670 1.00 10.00 N ATOM 334 CA SER A 433 -7.067 -6.276 -4.727 1.00 10.00 C ATOM 335 C SER A 433 -7.875 -5.033 -4.385 1.00 10.00 C ATOM 336 O SER A 433 -7.440 -4.197 -3.594 1.00 10.00 O ATOM 337 CB SER A 433 -7.435 -7.414 -3.774 1.00 10.00 C ATOM 338 OG SER A 433 -8.684 -7.987 -4.123 1.00 10.00 O ATOM 0 H SER A 433 -5.126 -6.601 -4.005 1.00 10.00 H new ATOM 0 HA SER A 433 -7.311 -6.565 -5.749 1.00 10.00 H new ATOM 0 HB2 SER A 433 -6.660 -8.180 -3.800 1.00 10.00 H new ATOM 0 HB3 SER A 433 -7.477 -7.038 -2.752 1.00 10.00 H new ATOM 0 HG SER A 433 -8.896 -8.713 -3.500 1.00 10.00 H new ATOM 344 N GLU A 434 -9.062 -4.922 -4.977 1.00 10.00 N ATOM 345 CA GLU A 434 -9.939 -3.785 -4.719 1.00 10.00 C ATOM 346 C GLU A 434 -10.083 -3.566 -3.218 1.00 10.00 C ATOM 347 O GLU A 434 -10.269 -2.441 -2.754 1.00 10.00 O ATOM 348 CB GLU A 434 -11.314 -4.016 -5.350 1.00 10.00 C ATOM 349 CG GLU A 434 -12.160 -2.757 -5.438 1.00 10.00 C ATOM 350 CD GLU A 434 -13.622 -3.014 -5.127 1.00 10.00 C ATOM 351 OE1 GLU A 434 -14.334 -3.532 -6.012 1.00 10.00 O ATOM 352 OE2 GLU A 434 -14.053 -2.700 -3.998 1.00 10.00 O ATOM 0 H GLU A 434 -9.437 -5.604 -5.637 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.496 -2.895 -5.167 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.181 -4.426 -6.351 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -11.851 -4.765 -4.768 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -11.770 -2.012 -4.744 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -12.074 -2.335 -6.439 1.00 10.00 H new ATOM 359 N GLN A 435 -9.976 -4.656 -2.463 1.00 10.00 N ATOM 360 CA GLN A 435 -10.074 -4.599 -1.014 1.00 10.00 C ATOM 361 C GLN A 435 -8.710 -4.304 -0.406 1.00 10.00 C ATOM 362 O GLN A 435 -8.612 -3.664 0.642 1.00 10.00 O ATOM 363 CB GLN A 435 -10.618 -5.919 -0.463 1.00 10.00 C ATOM 364 CG GLN A 435 -11.419 -5.759 0.818 1.00 10.00 C ATOM 365 CD GLN A 435 -12.911 -5.651 0.564 1.00 10.00 C ATOM 366 OE1 GLN A 435 -13.719 -6.223 1.296 1.00 10.00 O ATOM 367 NE2 GLN A 435 -13.283 -4.916 -0.477 1.00 10.00 N ATOM 0 H GLN A 435 -9.821 -5.592 -2.837 1.00 10.00 H new ATOM 0 HA GLN A 435 -10.762 -3.798 -0.745 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -11.248 -6.387 -1.220 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -9.785 -6.597 -0.278 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -11.226 -6.610 1.471 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -11.079 -4.868 1.346 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -12.579 -4.460 -1.057 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -14.273 -4.808 -0.697 1.00 10.00 H new ATOM 376 N GLU A 436 -7.655 -4.759 -1.079 1.00 10.00 N ATOM 377 CA GLU A 436 -6.307 -4.530 -0.617 1.00 10.00 C ATOM 378 C GLU A 436 -5.936 -3.077 -0.851 1.00 10.00 C ATOM 379 O GLU A 436 -5.604 -2.352 0.087 1.00 10.00 O ATOM 380 CB GLU A 436 -5.359 -5.487 -1.347 1.00 10.00 C ATOM 381 CG GLU A 436 -4.733 -6.540 -0.443 1.00 10.00 C ATOM 382 CD GLU A 436 -5.721 -7.134 0.545 1.00 10.00 C ATOM 383 OE1 GLU A 436 -6.522 -8.000 0.135 1.00 10.00 O ATOM 384 OE2 GLU A 436 -5.692 -6.733 1.728 1.00 10.00 O ATOM 0 H GLU A 436 -7.719 -5.289 -1.948 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.227 -4.726 0.452 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -5.907 -5.987 -2.146 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.565 -4.908 -1.818 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -4.317 -7.338 -1.058 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -3.903 -6.094 0.105 1.00 10.00 H new ATOM 391 N LYS A 437 -6.045 -2.641 -2.098 1.00 10.00 N ATOM 392 CA LYS A 437 -5.773 -1.249 -2.447 1.00 10.00 C ATOM 393 C LYS A 437 -6.605 -0.332 -1.561 1.00 10.00 C ATOM 394 O LYS A 437 -6.284 0.838 -1.383 1.00 10.00 O ATOM 395 CB LYS A 437 -6.110 -1.004 -3.919 1.00 10.00 C ATOM 396 CG LYS A 437 -5.499 0.269 -4.482 1.00 10.00 C ATOM 397 CD LYS A 437 -6.565 1.294 -4.835 1.00 10.00 C ATOM 398 CE LYS A 437 -7.561 0.746 -5.846 1.00 10.00 C ATOM 399 NZ LYS A 437 -8.959 0.805 -5.336 1.00 10.00 N ATOM 0 H LYS A 437 -6.319 -3.228 -2.886 1.00 10.00 H new ATOM 0 HA LYS A 437 -4.715 -1.037 -2.290 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -5.765 -1.854 -4.508 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -7.193 -0.957 -4.032 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -4.810 0.696 -3.753 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -4.915 0.030 -5.371 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -7.093 1.595 -3.931 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -6.090 2.188 -5.240 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -7.488 1.315 -6.773 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -7.305 -0.286 -6.085 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -9.607 0.423 -6.054 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -9.035 0.241 -4.466 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -9.213 1.793 -5.132 1.00 10.00 H new ATOM 413 N GLU A 438 -7.671 -0.886 -0.996 1.00 10.00 N ATOM 414 CA GLU A 438 -8.552 -0.134 -0.120 1.00 10.00 C ATOM 415 C GLU A 438 -7.814 0.354 1.120 1.00 10.00 C ATOM 416 O GLU A 438 -8.182 1.368 1.706 1.00 10.00 O ATOM 417 CB GLU A 438 -9.742 -0.997 0.297 1.00 10.00 C ATOM 418 CG GLU A 438 -11.025 -0.210 0.502 1.00 10.00 C ATOM 419 CD GLU A 438 -11.291 0.100 1.962 1.00 10.00 C ATOM 420 OE1 GLU A 438 -11.361 -0.851 2.769 1.00 10.00 O ATOM 421 OE2 GLU A 438 -11.429 1.296 2.300 1.00 10.00 O ATOM 0 H GLU A 438 -7.945 -1.859 -1.132 1.00 10.00 H new ATOM 0 HA GLU A 438 -8.908 0.736 -0.672 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -9.911 -1.759 -0.464 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.495 -1.519 1.221 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -10.969 0.723 -0.059 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -11.863 -0.776 0.096 1.00 10.00 H new ATOM 428 N THR A 439 -6.780 -0.376 1.529 1.00 10.00 N ATOM 429 CA THR A 439 -6.020 0.004 2.716 1.00 10.00 C ATOM 430 C THR A 439 -4.882 0.965 2.377 1.00 10.00 C ATOM 431 O THR A 439 -4.725 2.001 3.023 1.00 10.00 O ATOM 432 CB THR A 439 -5.465 -1.241 3.412 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.515 -2.110 3.795 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.656 -0.924 4.652 1.00 10.00 C ATOM 0 H THR A 439 -6.452 -1.222 1.064 1.00 10.00 H new ATOM 0 HA THR A 439 -6.702 0.521 3.391 1.00 10.00 H new ATOM 0 HB THR A 439 -4.808 -1.712 2.681 1.00 10.00 H new ATOM 0 HG1 THR A 439 -6.141 -2.901 4.237 1.00 10.00 H new ATOM 0 HG21 THR A 439 -4.293 -1.851 5.096 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.808 -0.294 4.382 1.00 10.00 H new ATOM 0 HG23 THR A 439 -5.284 -0.399 5.372 1.00 10.00 H new ATOM 442 N PHE A 440 -4.089 0.617 1.374 1.00 10.00 N ATOM 443 CA PHE A 440 -2.968 1.448 0.965 1.00 10.00 C ATOM 444 C PHE A 440 -3.458 2.691 0.228 1.00 10.00 C ATOM 445 O PHE A 440 -2.844 3.754 0.311 1.00 10.00 O ATOM 446 CB PHE A 440 -2.006 0.648 0.080 1.00 10.00 C ATOM 447 CG PHE A 440 -2.399 -0.778 -0.111 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.399 -1.675 0.942 1.00 10.00 C ATOM 449 CD2 PHE A 440 -2.787 -1.212 -1.352 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.780 -2.982 0.738 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.169 -2.506 -1.559 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.163 -3.388 -0.522 1.00 10.00 C ATOM 0 H PHE A 440 -4.202 -0.237 0.828 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.435 1.768 1.860 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -1.941 1.130 -0.896 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -1.009 0.683 0.520 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -2.099 -1.349 1.927 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -2.791 -0.518 -2.180 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.779 -3.684 1.559 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.475 -2.829 -2.543 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.460 -4.413 -0.688 1.00 10.00 H new ATOM 462 N ARG A 441 -4.572 2.552 -0.488 1.00 10.00 N ATOM 463 CA ARG A 441 -5.139 3.674 -1.228 1.00 10.00 C ATOM 464 C ARG A 441 -5.927 4.588 -0.297 1.00 10.00 C ATOM 465 O ARG A 441 -6.069 5.782 -0.562 1.00 10.00 O ATOM 466 CB ARG A 441 -6.044 3.184 -2.358 1.00 10.00 C ATOM 467 CG ARG A 441 -6.336 4.246 -3.406 1.00 10.00 C ATOM 468 CD ARG A 441 -7.819 4.324 -3.730 1.00 10.00 C ATOM 469 NE ARG A 441 -8.266 5.701 -3.924 1.00 10.00 N ATOM 470 CZ ARG A 441 -9.542 6.081 -3.877 1.00 10.00 C ATOM 471 NH1 ARG A 441 -10.498 5.190 -3.644 1.00 10.00 N ATOM 472 NH2 ARG A 441 -9.861 7.354 -4.064 1.00 10.00 N ATOM 0 H ARG A 441 -5.095 1.680 -0.570 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.312 4.236 -1.663 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.576 2.327 -2.842 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -6.985 2.836 -1.933 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -5.990 5.216 -3.047 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -5.776 4.024 -4.315 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -8.024 3.746 -4.631 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -8.391 3.868 -2.922 1.00 10.00 H new ATOM 0 HE ARG A 441 -7.559 6.414 -4.106 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -10.257 4.209 -3.500 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -11.473 5.486 -3.609 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -9.130 8.042 -4.244 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -10.838 7.646 -4.028 1.00 10.00 H new ATOM 486 N GLU A 442 -6.435 4.025 0.800 1.00 10.00 N ATOM 487 CA GLU A 442 -7.201 4.805 1.763 1.00 10.00 C ATOM 488 C GLU A 442 -6.268 5.563 2.695 1.00 10.00 C ATOM 489 O GLU A 442 -6.582 6.666 3.140 1.00 10.00 O ATOM 490 CB GLU A 442 -8.133 3.902 2.575 1.00 10.00 C ATOM 491 CG GLU A 442 -8.907 4.636 3.658 1.00 10.00 C ATOM 492 CD GLU A 442 -10.318 4.109 3.825 1.00 10.00 C ATOM 493 OE1 GLU A 442 -11.212 4.558 3.075 1.00 10.00 O ATOM 494 OE2 GLU A 442 -10.531 3.247 4.703 1.00 10.00 O ATOM 0 H GLU A 442 -6.329 3.039 1.040 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.808 5.523 1.211 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -8.840 3.422 1.898 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -7.545 3.109 3.036 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -8.375 4.545 4.605 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -8.946 5.698 3.415 1.00 10.00 H new ATOM 501 N LYS A 443 -5.111 4.972 2.976 1.00 10.00 N ATOM 502 CA LYS A 443 -4.135 5.605 3.843 1.00 10.00 C ATOM 503 C LYS A 443 -3.395 6.694 3.081 1.00 10.00 C ATOM 504 O LYS A 443 -3.179 7.785 3.597 1.00 10.00 O ATOM 505 CB LYS A 443 -3.145 4.575 4.388 1.00 10.00 C ATOM 506 CG LYS A 443 -3.578 3.954 5.707 1.00 10.00 C ATOM 507 CD LYS A 443 -4.810 3.078 5.536 1.00 10.00 C ATOM 508 CE LYS A 443 -5.617 2.995 6.821 1.00 10.00 C ATOM 509 NZ LYS A 443 -5.049 1.998 7.771 1.00 10.00 N ATOM 0 H LYS A 443 -4.831 4.060 2.616 1.00 10.00 H new ATOM 0 HA LYS A 443 -4.659 6.053 4.687 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -3.013 3.784 3.650 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -2.174 5.052 4.522 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -2.761 3.358 6.115 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -3.789 4.743 6.429 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -5.435 3.479 4.738 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -4.506 2.077 5.231 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -5.644 3.975 7.297 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -6.647 2.727 6.586 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -5.628 1.972 8.634 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -5.047 1.058 7.327 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -4.075 2.268 8.016 1.00 10.00 H new ATOM 523 N PHE A 444 -3.033 6.403 1.834 1.00 10.00 N ATOM 524 CA PHE A 444 -2.344 7.378 1.007 1.00 10.00 C ATOM 525 C PHE A 444 -3.273 8.549 0.761 1.00 10.00 C ATOM 526 O PHE A 444 -2.838 9.695 0.648 1.00 10.00 O ATOM 527 CB PHE A 444 -1.877 6.738 -0.301 1.00 10.00 C ATOM 528 CG PHE A 444 -1.062 7.655 -1.169 1.00 10.00 C ATOM 529 CD1 PHE A 444 -1.640 8.765 -1.765 1.00 10.00 C ATOM 530 CD2 PHE A 444 0.283 7.404 -1.389 1.00 10.00 C ATOM 531 CE1 PHE A 444 -0.891 9.609 -2.564 1.00 10.00 C ATOM 532 CE2 PHE A 444 1.037 8.245 -2.187 1.00 10.00 C ATOM 533 CZ PHE A 444 0.449 9.347 -2.775 1.00 10.00 C ATOM 0 H PHE A 444 -3.206 5.506 1.381 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.452 7.739 1.518 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.286 5.852 -0.070 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -2.749 6.402 -0.862 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -2.687 8.973 -1.603 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.747 6.542 -0.932 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -1.352 10.471 -3.022 1.00 10.00 H new ATOM 0 HE2 PHE A 444 2.085 8.040 -2.350 1.00 10.00 H new ATOM 0 HZ PHE A 444 1.036 10.004 -3.400 1.00 10.00 H new ATOM 543 N MET A 445 -4.568 8.256 0.749 1.00 10.00 N ATOM 544 CA MET A 445 -5.568 9.288 0.597 1.00 10.00 C ATOM 545 C MET A 445 -5.706 10.007 1.934 1.00 10.00 C ATOM 546 O MET A 445 -5.996 11.201 2.000 1.00 10.00 O ATOM 547 CB MET A 445 -6.910 8.693 0.165 1.00 10.00 C ATOM 548 CG MET A 445 -8.018 9.725 0.026 1.00 10.00 C ATOM 549 SD MET A 445 -8.194 10.332 -1.662 1.00 10.00 S ATOM 550 CE MET A 445 -9.888 10.915 -1.636 1.00 10.00 C ATOM 0 H MET A 445 -4.943 7.312 0.843 1.00 10.00 H new ATOM 0 HA MET A 445 -5.262 9.989 -0.180 1.00 10.00 H new ATOM 0 HB2 MET A 445 -6.781 8.181 -0.788 1.00 10.00 H new ATOM 0 HB3 MET A 445 -7.215 7.941 0.892 1.00 10.00 H new ATOM 0 HG2 MET A 445 -8.961 9.285 0.350 1.00 10.00 H new ATOM 0 HG3 MET A 445 -7.813 10.564 0.690 1.00 10.00 H new ATOM 0 HE1 MET A 445 -10.148 11.322 -2.613 1.00 10.00 H new ATOM 0 HE2 MET A 445 -10.555 10.086 -1.399 1.00 10.00 H new ATOM 0 HE3 MET A 445 -9.994 11.693 -0.880 1.00 10.00 H new ATOM 560 N GLN A 446 -5.453 9.245 3.001 1.00 10.00 N ATOM 561 CA GLN A 446 -5.496 9.750 4.366 1.00 10.00 C ATOM 562 C GLN A 446 -4.302 10.654 4.618 1.00 10.00 C ATOM 563 O GLN A 446 -4.392 11.662 5.318 1.00 10.00 O ATOM 564 CB GLN A 446 -5.441 8.575 5.347 1.00 10.00 C ATOM 565 CG GLN A 446 -5.843 8.943 6.766 1.00 10.00 C ATOM 566 CD GLN A 446 -6.955 8.063 7.305 1.00 10.00 C ATOM 567 OE1 GLN A 446 -7.870 8.540 7.975 1.00 10.00 O ATOM 568 NE2 GLN A 446 -6.879 6.769 7.015 1.00 10.00 N ATOM 0 H GLN A 446 -5.212 8.256 2.937 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.419 10.312 4.508 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -6.097 7.782 4.987 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.429 8.171 5.359 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -4.973 8.863 7.418 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.165 9.984 6.790 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -6.102 6.416 6.456 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -7.598 6.128 7.351 1.00 10.00 H new ATOM 577 N HIS A 447 -3.175 10.251 4.049 1.00 10.00 N ATOM 578 CA HIS A 447 -1.925 10.971 4.197 1.00 10.00 C ATOM 579 C HIS A 447 -1.544 11.660 2.886 1.00 10.00 C ATOM 580 O HIS A 447 -0.938 11.052 2.004 1.00 10.00 O ATOM 581 CB HIS A 447 -0.843 9.982 4.639 1.00 10.00 C ATOM 582 CG HIS A 447 -1.300 9.093 5.760 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.477 9.552 7.048 1.00 10.00 N ATOM 584 CD2 HIS A 447 -1.656 7.778 5.782 1.00 10.00 C ATOM 585 CE1 HIS A 447 -1.920 8.570 7.810 1.00 10.00 C ATOM 586 NE2 HIS A 447 -2.039 7.484 7.069 1.00 10.00 N ATOM 0 H HIS A 447 -3.105 9.413 3.471 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.031 11.750 4.952 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.548 9.367 3.789 1.00 10.00 H new ATOM 0 HB3 HIS A 447 0.042 10.534 4.955 1.00 10.00 H new ATOM 0 HD1 HIS A 447 -1.294 10.505 7.363 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.640 7.095 4.946 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -2.147 8.643 8.863 1.00 10.00 H new ATOM 595 N PRO A 448 -1.915 12.948 2.740 1.00 10.00 N ATOM 596 CA PRO A 448 -1.636 13.734 1.534 1.00 10.00 C ATOM 597 C PRO A 448 -0.255 13.474 0.943 1.00 10.00 C ATOM 598 O PRO A 448 0.739 14.053 1.380 1.00 10.00 O ATOM 599 CB PRO A 448 -1.740 15.169 2.042 1.00 10.00 C ATOM 600 CG PRO A 448 -2.772 15.109 3.116 1.00 10.00 C ATOM 601 CD PRO A 448 -2.656 13.741 3.744 1.00 10.00 C ATOM 0 HA PRO A 448 -2.320 13.487 0.722 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -0.785 15.524 2.429 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -2.035 15.852 1.245 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -2.607 15.891 3.857 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -3.770 15.264 2.705 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -2.122 13.782 4.694 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -3.637 13.311 3.948 1.00 10.00 H new ATOM 609 N LYS A 449 -0.210 12.609 -0.070 1.00 10.00 N ATOM 610 CA LYS A 449 1.039 12.269 -0.752 1.00 10.00 C ATOM 611 C LYS A 449 2.188 12.063 0.233 1.00 10.00 C ATOM 612 O LYS A 449 2.842 13.021 0.646 1.00 10.00 O ATOM 613 CB LYS A 449 1.407 13.365 -1.754 1.00 10.00 C ATOM 614 CG LYS A 449 2.032 12.834 -3.033 1.00 10.00 C ATOM 615 CD LYS A 449 3.493 12.469 -2.829 1.00 10.00 C ATOM 616 CE LYS A 449 3.885 11.252 -3.653 1.00 10.00 C ATOM 617 NZ LYS A 449 3.402 11.354 -5.058 1.00 10.00 N ATOM 0 H LYS A 449 -1.030 12.128 -0.439 1.00 10.00 H new ATOM 0 HA LYS A 449 0.878 11.329 -1.279 1.00 10.00 H new ATOM 0 HB2 LYS A 449 0.511 13.932 -2.006 1.00 10.00 H new ATOM 0 HB3 LYS A 449 2.101 14.060 -1.281 1.00 10.00 H new ATOM 0 HG2 LYS A 449 1.481 11.957 -3.372 1.00 10.00 H new ATOM 0 HG3 LYS A 449 1.950 13.585 -3.819 1.00 10.00 H new ATOM 0 HD2 LYS A 449 4.122 13.315 -3.106 1.00 10.00 H new ATOM 0 HD3 LYS A 449 3.675 12.268 -1.773 1.00 10.00 H new ATOM 0 HE2 LYS A 449 4.970 11.145 -3.649 1.00 10.00 H new ATOM 0 HE3 LYS A 449 3.474 10.354 -3.192 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 3.974 10.735 -5.667 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 2.405 11.061 -5.105 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 3.489 12.338 -5.385 1.00 10.00 H new ATOM 631 N ASN A 450 2.432 10.811 0.599 1.00 10.00 N ATOM 632 CA ASN A 450 3.507 10.488 1.527 1.00 10.00 C ATOM 633 C ASN A 450 4.191 9.184 1.140 1.00 10.00 C ATOM 634 O ASN A 450 5.411 9.133 0.978 1.00 10.00 O ATOM 635 CB ASN A 450 2.972 10.389 2.962 1.00 10.00 C ATOM 636 CG ASN A 450 1.773 9.466 3.074 1.00 10.00 C ATOM 637 OD1 ASN A 450 0.925 9.426 2.182 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.696 8.713 4.168 1.00 10.00 N ATOM 0 H ASN A 450 1.901 10.005 0.268 1.00 10.00 H new ATOM 0 HA ASN A 450 4.241 11.293 1.477 1.00 10.00 H new ATOM 0 HB2 ASN A 450 3.765 10.030 3.618 1.00 10.00 H new ATOM 0 HB3 ASN A 450 2.695 11.383 3.312 1.00 10.00 H new ATOM 0 HD21 ASN A 450 0.913 8.072 4.292 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.420 8.777 4.883 1.00 10.00 H new ATOM 645 N PHE A 451 3.398 8.128 1.009 1.00 10.00 N ATOM 646 CA PHE A 451 3.920 6.813 0.660 1.00 10.00 C ATOM 647 C PHE A 451 4.864 6.287 1.746 1.00 10.00 C ATOM 648 O PHE A 451 5.427 5.200 1.613 1.00 10.00 O ATOM 649 CB PHE A 451 4.646 6.859 -0.690 1.00 10.00 C ATOM 650 CG PHE A 451 3.867 6.293 -1.853 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.791 5.438 -1.656 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.218 6.623 -3.154 1.00 10.00 C ATOM 653 CE1 PHE A 451 2.088 4.926 -2.728 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.517 6.112 -4.229 1.00 10.00 C ATOM 655 CZ PHE A 451 2.451 5.263 -4.016 1.00 10.00 C ATOM 0 H PHE A 451 2.387 8.157 1.140 1.00 10.00 H new ATOM 0 HA PHE A 451 3.073 6.131 0.581 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.901 7.895 -0.913 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.584 6.312 -0.600 1.00 10.00 H new ATOM 0 HD1 PHE A 451 2.500 5.170 -0.651 1.00 10.00 H new ATOM 0 HD2 PHE A 451 5.051 7.288 -3.329 1.00 10.00 H new ATOM 0 HE1 PHE A 451 1.254 4.261 -2.559 1.00 10.00 H new ATOM 0 HE2 PHE A 451 3.804 6.377 -5.236 1.00 10.00 H new ATOM 0 HZ PHE A 451 1.902 4.863 -4.855 1.00 10.00 H new ATOM 665 N GLY A 452 5.021 7.054 2.824 1.00 10.00 N ATOM 666 CA GLY A 452 5.880 6.639 3.913 1.00 10.00 C ATOM 667 C GLY A 452 5.108 5.869 4.959 1.00 10.00 C ATOM 668 O GLY A 452 5.562 4.829 5.437 1.00 10.00 O ATOM 0 H GLY A 452 4.566 7.957 2.959 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.688 6.019 3.525 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.341 7.515 4.370 1.00 10.00 H new ATOM 672 N LEU A 453 3.924 6.371 5.301 1.00 10.00 N ATOM 673 CA LEU A 453 3.081 5.707 6.281 1.00 10.00 C ATOM 674 C LEU A 453 2.534 4.416 5.700 1.00 10.00 C ATOM 675 O LEU A 453 2.588 3.363 6.334 1.00 10.00 O ATOM 676 CB LEU A 453 1.924 6.604 6.717 1.00 10.00 C ATOM 677 CG LEU A 453 0.907 5.915 7.626 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.324 6.898 8.626 1.00 10.00 C ATOM 679 CD2 LEU A 453 -0.192 5.256 6.798 1.00 10.00 C ATOM 0 H LEU A 453 3.532 7.230 4.915 1.00 10.00 H new ATOM 0 HA LEU A 453 3.691 5.487 7.157 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.328 7.473 7.236 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.410 6.973 5.829 1.00 10.00 H new ATOM 0 HG LEU A 453 1.421 5.135 8.187 1.00 10.00 H new ATOM 0 HD11 LEU A 453 -0.397 6.385 9.262 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.124 7.308 9.242 1.00 10.00 H new ATOM 0 HD13 LEU A 453 -0.174 7.708 8.092 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.907 4.771 7.463 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.704 6.013 6.205 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.249 4.512 6.134 1.00 10.00 H new ATOM 691 N ILE A 454 2.019 4.500 4.480 1.00 10.00 N ATOM 692 CA ILE A 454 1.484 3.332 3.813 1.00 10.00 C ATOM 693 C ILE A 454 2.574 2.292 3.663 1.00 10.00 C ATOM 694 O ILE A 454 2.470 1.188 4.191 1.00 10.00 O ATOM 695 CB ILE A 454 0.881 3.702 2.449 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.452 4.381 2.682 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.723 2.480 1.552 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.342 5.886 2.652 1.00 10.00 C ATOM 0 H ILE A 454 1.963 5.363 3.939 1.00 10.00 H new ATOM 0 HA ILE A 454 0.680 2.916 4.420 1.00 10.00 H new ATOM 0 HB ILE A 454 1.558 4.381 1.931 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.161 4.056 1.921 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -0.853 4.068 3.646 1.00 10.00 H new ATOM 0 HG21 ILE A 454 0.294 2.783 0.597 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.699 2.024 1.383 1.00 10.00 H new ATOM 0 HG23 ILE A 454 0.064 1.758 2.034 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.324 6.326 2.824 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.345 6.216 3.431 1.00 10.00 H new ATOM 0 HD13 ILE A 454 0.033 6.204 1.679 1.00 10.00 H new ATOM 710 N ALA A 455 3.647 2.678 2.989 1.00 10.00 N ATOM 711 CA ALA A 455 4.792 1.801 2.813 1.00 10.00 C ATOM 712 C ALA A 455 5.358 1.377 4.169 1.00 10.00 C ATOM 713 O ALA A 455 6.232 0.514 4.244 1.00 10.00 O ATOM 714 CB ALA A 455 5.865 2.495 1.987 1.00 10.00 C ATOM 0 H ALA A 455 3.748 3.595 2.554 1.00 10.00 H new ATOM 0 HA ALA A 455 4.464 0.907 2.282 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.717 1.827 1.863 1.00 10.00 H new ATOM 0 HB2 ALA A 455 5.461 2.753 1.008 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.187 3.403 2.498 1.00 10.00 H new ATOM 720 N SER A 456 4.854 1.994 5.245 1.00 10.00 N ATOM 721 CA SER A 456 5.315 1.678 6.592 1.00 10.00 C ATOM 722 C SER A 456 4.415 0.640 7.262 1.00 10.00 C ATOM 723 O SER A 456 4.906 -0.245 7.963 1.00 10.00 O ATOM 724 CB SER A 456 5.382 2.948 7.445 1.00 10.00 C ATOM 725 OG SER A 456 5.380 2.637 8.828 1.00 10.00 O ATOM 0 H SER A 456 4.130 2.711 5.204 1.00 10.00 H new ATOM 0 HA SER A 456 6.315 1.252 6.509 1.00 10.00 H new ATOM 0 HB2 SER A 456 6.283 3.509 7.197 1.00 10.00 H new ATOM 0 HB3 SER A 456 4.533 3.591 7.213 1.00 10.00 H new ATOM 0 HG SER A 456 5.425 3.465 9.350 1.00 10.00 H new ATOM 731 N PHE A 457 3.101 0.738 7.049 1.00 10.00 N ATOM 732 CA PHE A 457 2.178 -0.220 7.650 1.00 10.00 C ATOM 733 C PHE A 457 2.170 -1.523 6.849 1.00 10.00 C ATOM 734 O PHE A 457 1.890 -2.593 7.389 1.00 10.00 O ATOM 735 CB PHE A 457 0.763 0.374 7.782 1.00 10.00 C ATOM 736 CG PHE A 457 -0.071 0.295 6.535 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.607 -0.915 6.116 1.00 10.00 C ATOM 738 CD2 PHE A 457 -0.314 1.429 5.772 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.360 -0.991 4.970 1.00 10.00 C ATOM 740 CE2 PHE A 457 -1.075 1.354 4.623 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.597 0.145 4.222 1.00 10.00 C ATOM 0 H PHE A 457 2.661 1.458 6.476 1.00 10.00 H new ATOM 0 HA PHE A 457 2.524 -0.446 8.659 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.240 -0.144 8.586 1.00 10.00 H new ATOM 0 HB3 PHE A 457 0.849 1.419 8.079 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.430 -1.807 6.698 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.096 2.379 6.080 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.767 -1.940 4.654 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -1.261 2.243 4.039 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.192 0.085 3.323 1.00 10.00 H new ATOM 751 N LEU A 458 2.511 -1.427 5.564 1.00 10.00 N ATOM 752 CA LEU A 458 2.577 -2.596 4.692 1.00 10.00 C ATOM 753 C LEU A 458 3.991 -2.738 4.125 1.00 10.00 C ATOM 754 O LEU A 458 4.186 -2.837 2.915 1.00 10.00 O ATOM 755 CB LEU A 458 1.543 -2.496 3.565 1.00 10.00 C ATOM 756 CG LEU A 458 1.384 -1.111 2.938 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.707 -0.642 2.361 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.306 -1.126 1.860 1.00 10.00 C ATOM 0 H LEU A 458 2.746 -0.548 5.104 1.00 10.00 H new ATOM 0 HA LEU A 458 2.342 -3.485 5.277 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.817 -3.201 2.781 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.575 -2.813 3.954 1.00 10.00 H new ATOM 0 HG LEU A 458 1.075 -0.413 3.716 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.581 0.346 1.917 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.452 -0.591 3.155 1.00 10.00 H new ATOM 0 HD13 LEU A 458 3.039 -1.344 1.596 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.210 -0.130 1.428 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.582 -1.835 1.080 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.645 -1.423 2.301 1.00 10.00 H new ATOM 770 N GLU A 459 4.964 -2.726 5.037 1.00 10.00 N ATOM 771 CA GLU A 459 6.396 -2.829 4.717 1.00 10.00 C ATOM 772 C GLU A 459 6.677 -3.569 3.411 1.00 10.00 C ATOM 773 O GLU A 459 7.477 -3.111 2.596 1.00 10.00 O ATOM 774 CB GLU A 459 7.135 -3.522 5.863 1.00 10.00 C ATOM 775 CG GLU A 459 7.315 -2.644 7.091 1.00 10.00 C ATOM 776 CD GLU A 459 8.542 -1.759 6.999 1.00 10.00 C ATOM 777 OE1 GLU A 459 8.901 -1.358 5.872 1.00 10.00 O ATOM 778 OE2 GLU A 459 9.145 -1.469 8.054 1.00 10.00 O ATOM 0 H GLU A 459 4.780 -2.643 6.037 1.00 10.00 H new ATOM 0 HA GLU A 459 6.756 -1.809 4.586 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.587 -4.421 6.146 1.00 10.00 H new ATOM 0 HB3 GLU A 459 8.115 -3.844 5.510 1.00 10.00 H new ATOM 0 HG2 GLU A 459 6.430 -2.020 7.220 1.00 10.00 H new ATOM 0 HG3 GLU A 459 7.392 -3.275 7.976 1.00 10.00 H new ATOM 785 N ARG A 460 6.025 -4.713 3.214 1.00 10.00 N ATOM 786 CA ARG A 460 6.215 -5.509 2.001 1.00 10.00 C ATOM 787 C ARG A 460 6.231 -4.620 0.762 1.00 10.00 C ATOM 788 O ARG A 460 6.862 -4.942 -0.245 1.00 10.00 O ATOM 789 CB ARG A 460 5.110 -6.559 1.876 1.00 10.00 C ATOM 790 CG ARG A 460 5.281 -7.739 2.818 1.00 10.00 C ATOM 791 CD ARG A 460 4.030 -8.601 2.865 1.00 10.00 C ATOM 792 NE ARG A 460 3.922 -9.343 4.119 1.00 10.00 N ATOM 793 CZ ARG A 460 4.697 -10.377 4.437 1.00 10.00 C ATOM 794 NH1 ARG A 460 5.636 -10.794 3.598 1.00 10.00 N ATOM 795 NH2 ARG A 460 4.531 -10.997 5.598 1.00 10.00 N ATOM 0 H ARG A 460 5.360 -5.110 3.878 1.00 10.00 H new ATOM 0 HA ARG A 460 7.179 -6.013 2.076 1.00 10.00 H new ATOM 0 HB2 ARG A 460 4.148 -6.086 2.071 1.00 10.00 H new ATOM 0 HB3 ARG A 460 5.083 -6.925 0.850 1.00 10.00 H new ATOM 0 HG2 ARG A 460 6.129 -8.344 2.495 1.00 10.00 H new ATOM 0 HG3 ARG A 460 5.512 -7.376 3.820 1.00 10.00 H new ATOM 0 HD2 ARG A 460 3.150 -7.970 2.741 1.00 10.00 H new ATOM 0 HD3 ARG A 460 4.041 -9.301 2.030 1.00 10.00 H new ATOM 0 HE ARG A 460 3.211 -9.051 4.790 1.00 10.00 H new ATOM 0 HH11 ARG A 460 5.767 -10.322 2.704 1.00 10.00 H new ATOM 0 HH12 ARG A 460 6.227 -11.587 3.847 1.00 10.00 H new ATOM 0 HH21 ARG A 460 3.810 -10.681 6.246 1.00 10.00 H new ATOM 0 HH22 ARG A 460 5.125 -11.790 5.842 1.00 10.00 H new ATOM 809 N LYS A 461 5.536 -3.493 0.854 1.00 10.00 N ATOM 810 CA LYS A 461 5.464 -2.537 -0.242 1.00 10.00 C ATOM 811 C LYS A 461 6.286 -1.294 0.089 1.00 10.00 C ATOM 812 O LYS A 461 6.342 -0.868 1.243 1.00 10.00 O ATOM 813 CB LYS A 461 4.008 -2.141 -0.526 1.00 10.00 C ATOM 814 CG LYS A 461 2.968 -3.121 0.011 1.00 10.00 C ATOM 815 CD LYS A 461 2.517 -4.099 -1.063 1.00 10.00 C ATOM 816 CE LYS A 461 3.631 -5.058 -1.455 1.00 10.00 C ATOM 817 NZ LYS A 461 3.408 -6.423 -0.904 1.00 10.00 N ATOM 0 H LYS A 461 5.010 -3.218 1.684 1.00 10.00 H new ATOM 0 HA LYS A 461 5.874 -3.010 -1.134 1.00 10.00 H new ATOM 0 HB2 LYS A 461 3.821 -1.159 -0.092 1.00 10.00 H new ATOM 0 HB3 LYS A 461 3.875 -2.044 -1.603 1.00 10.00 H new ATOM 0 HG2 LYS A 461 3.386 -3.672 0.854 1.00 10.00 H new ATOM 0 HG3 LYS A 461 2.107 -2.569 0.387 1.00 10.00 H new ATOM 0 HD2 LYS A 461 1.659 -4.666 -0.702 1.00 10.00 H new ATOM 0 HD3 LYS A 461 2.186 -3.547 -1.942 1.00 10.00 H new ATOM 0 HE2 LYS A 461 3.698 -5.112 -2.542 1.00 10.00 H new ATOM 0 HE3 LYS A 461 4.585 -4.673 -1.095 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 4.221 -7.028 -1.136 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 3.301 -6.367 0.129 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 2.545 -6.828 -1.320 1.00 10.00 H new ATOM 831 N THR A 462 6.926 -0.720 -0.922 1.00 10.00 N ATOM 832 CA THR A 462 7.748 0.471 -0.727 1.00 10.00 C ATOM 833 C THR A 462 7.100 1.698 -1.359 1.00 10.00 C ATOM 834 O THR A 462 6.076 1.595 -2.033 1.00 10.00 O ATOM 835 CB THR A 462 9.144 0.256 -1.318 1.00 10.00 C ATOM 836 OG1 THR A 462 9.406 -1.124 -1.498 1.00 10.00 O ATOM 837 CG2 THR A 462 10.250 0.826 -0.458 1.00 10.00 C ATOM 0 H THR A 462 6.893 -1.058 -1.884 1.00 10.00 H new ATOM 0 HA THR A 462 7.835 0.645 0.345 1.00 10.00 H new ATOM 0 HB THR A 462 9.139 0.783 -2.272 1.00 10.00 H new ATOM 0 HG1 THR A 462 10.302 -1.240 -1.878 1.00 10.00 H new ATOM 0 HG21 THR A 462 11.213 0.640 -0.933 1.00 10.00 H new ATOM 0 HG22 THR A 462 10.104 1.900 -0.342 1.00 10.00 H new ATOM 0 HG23 THR A 462 10.231 0.349 0.522 1.00 10.00 H new ATOM 845 N VAL A 463 7.709 2.860 -1.140 1.00 10.00 N ATOM 846 CA VAL A 463 7.195 4.109 -1.691 1.00 10.00 C ATOM 847 C VAL A 463 7.236 4.080 -3.216 1.00 10.00 C ATOM 848 O VAL A 463 6.198 4.146 -3.875 1.00 10.00 O ATOM 849 CB VAL A 463 8.002 5.323 -1.175 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.595 6.600 -1.897 1.00 10.00 C ATOM 851 CG2 VAL A 463 7.829 5.475 0.330 1.00 10.00 C ATOM 0 H VAL A 463 8.559 2.962 -0.585 1.00 10.00 H new ATOM 0 HA VAL A 463 6.161 4.212 -1.361 1.00 10.00 H new ATOM 0 HB VAL A 463 9.056 5.144 -1.386 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.179 7.437 -1.513 1.00 10.00 H new ATOM 0 HG12 VAL A 463 7.779 6.488 -2.965 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.535 6.790 -1.730 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.403 6.334 0.677 1.00 10.00 H new ATOM 0 HG22 VAL A 463 6.775 5.626 0.562 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.185 4.574 0.830 1.00 10.00 H new ATOM 861 N ALA A 464 8.438 3.973 -3.768 1.00 10.00 N ATOM 862 CA ALA A 464 8.610 3.926 -5.214 1.00 10.00 C ATOM 863 C ALA A 464 8.031 2.637 -5.789 1.00 10.00 C ATOM 864 O ALA A 464 7.715 2.562 -6.977 1.00 10.00 O ATOM 865 CB ALA A 464 10.082 4.054 -5.575 1.00 10.00 C ATOM 0 H ALA A 464 9.307 3.917 -3.237 1.00 10.00 H new ATOM 0 HA ALA A 464 8.068 4.765 -5.650 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.195 4.017 -6.658 1.00 10.00 H new ATOM 0 HB2 ALA A 464 10.467 5.003 -5.202 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.640 3.234 -5.124 1.00 10.00 H new ATOM 871 N GLU A 465 7.894 1.624 -4.938 1.00 10.00 N ATOM 872 CA GLU A 465 7.352 0.338 -5.360 1.00 10.00 C ATOM 873 C GLU A 465 5.830 0.313 -5.237 1.00 10.00 C ATOM 874 O GLU A 465 5.166 -0.518 -5.857 1.00 10.00 O ATOM 875 CB GLU A 465 7.963 -0.792 -4.529 1.00 10.00 C ATOM 876 CG GLU A 465 7.448 -2.172 -4.903 1.00 10.00 C ATOM 877 CD GLU A 465 8.043 -3.269 -4.042 1.00 10.00 C ATOM 878 OE1 GLU A 465 7.570 -3.448 -2.900 1.00 10.00 O ATOM 879 OE2 GLU A 465 8.980 -3.949 -4.509 1.00 10.00 O ATOM 0 H GLU A 465 8.151 1.670 -3.952 1.00 10.00 H new ATOM 0 HA GLU A 465 7.611 0.192 -6.409 1.00 10.00 H new ATOM 0 HB2 GLU A 465 9.046 -0.774 -4.648 1.00 10.00 H new ATOM 0 HB3 GLU A 465 7.755 -0.609 -3.475 1.00 10.00 H new ATOM 0 HG2 GLU A 465 6.362 -2.189 -4.808 1.00 10.00 H new ATOM 0 HG3 GLU A 465 7.679 -2.371 -5.949 1.00 10.00 H new ATOM 886 N CYS A 466 5.277 1.228 -4.442 1.00 10.00 N ATOM 887 CA CYS A 466 3.833 1.298 -4.258 1.00 10.00 C ATOM 888 C CYS A 466 3.182 1.995 -5.444 1.00 10.00 C ATOM 889 O CYS A 466 2.028 1.726 -5.775 1.00 10.00 O ATOM 890 CB CYS A 466 3.487 2.028 -2.958 1.00 10.00 C ATOM 891 SG CYS A 466 3.270 0.939 -1.534 1.00 10.00 S ATOM 0 H CYS A 466 5.806 1.926 -3.919 1.00 10.00 H new ATOM 0 HA CYS A 466 3.446 0.281 -4.194 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.277 2.745 -2.736 1.00 10.00 H new ATOM 0 HB3 CYS A 466 2.571 2.599 -3.108 1.00 10.00 H new ATOM 0 HG CYS A 466 4.432 0.648 -1.029 1.00 10.00 H new ATOM 897 N VAL A 467 3.936 2.878 -6.098 1.00 10.00 N ATOM 898 CA VAL A 467 3.432 3.592 -7.266 1.00 10.00 C ATOM 899 C VAL A 467 2.810 2.611 -8.256 1.00 10.00 C ATOM 900 O VAL A 467 1.929 2.967 -9.036 1.00 10.00 O ATOM 901 CB VAL A 467 4.556 4.379 -7.973 1.00 10.00 C ATOM 902 CG1 VAL A 467 4.017 5.120 -9.192 1.00 10.00 C ATOM 903 CG2 VAL A 467 5.219 5.347 -7.006 1.00 10.00 C ATOM 0 H VAL A 467 4.894 3.114 -5.839 1.00 10.00 H new ATOM 0 HA VAL A 467 2.677 4.297 -6.919 1.00 10.00 H new ATOM 0 HB VAL A 467 5.307 3.667 -8.316 1.00 10.00 H new ATOM 0 HG11 VAL A 467 4.828 5.667 -9.673 1.00 10.00 H new ATOM 0 HG12 VAL A 467 3.595 4.403 -9.896 1.00 10.00 H new ATOM 0 HG13 VAL A 467 3.243 5.820 -8.879 1.00 10.00 H new ATOM 0 HG21 VAL A 467 6.009 5.893 -7.522 1.00 10.00 H new ATOM 0 HG22 VAL A 467 4.477 6.051 -6.630 1.00 10.00 H new ATOM 0 HG23 VAL A 467 5.647 4.792 -6.172 1.00 10.00 H new ATOM 913 N LEU A 468 3.280 1.369 -8.209 1.00 10.00 N ATOM 914 CA LEU A 468 2.780 0.324 -9.087 1.00 10.00 C ATOM 915 C LEU A 468 1.286 0.088 -8.887 1.00 10.00 C ATOM 916 O LEU A 468 0.637 -0.544 -9.719 1.00 10.00 O ATOM 917 CB LEU A 468 3.551 -0.975 -8.844 1.00 10.00 C ATOM 918 CG LEU A 468 3.599 -1.937 -10.036 1.00 10.00 C ATOM 919 CD1 LEU A 468 5.015 -2.042 -10.582 1.00 10.00 C ATOM 920 CD2 LEU A 468 3.077 -3.310 -9.637 1.00 10.00 C ATOM 0 H LEU A 468 4.011 1.063 -7.567 1.00 10.00 H new ATOM 0 HA LEU A 468 2.931 0.652 -10.116 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.573 -0.725 -8.558 1.00 10.00 H new ATOM 0 HB3 LEU A 468 3.101 -1.493 -7.997 1.00 10.00 H new ATOM 0 HG LEU A 468 2.956 -1.541 -10.822 1.00 10.00 H new ATOM 0 HD11 LEU A 468 5.029 -2.729 -11.428 1.00 10.00 H new ATOM 0 HD12 LEU A 468 5.353 -1.058 -10.908 1.00 10.00 H new ATOM 0 HD13 LEU A 468 5.679 -2.413 -9.802 1.00 10.00 H new ATOM 0 HD21 LEU A 468 3.119 -3.979 -10.496 1.00 10.00 H new ATOM 0 HD22 LEU A 468 3.692 -3.713 -8.833 1.00 10.00 H new ATOM 0 HD23 LEU A 468 2.046 -3.222 -9.296 1.00 10.00 H new ATOM 932 N TYR A 469 0.744 0.587 -7.779 1.00 10.00 N ATOM 933 CA TYR A 469 -0.668 0.415 -7.485 1.00 10.00 C ATOM 934 C TYR A 469 -1.461 1.705 -7.712 1.00 10.00 C ATOM 935 O TYR A 469 -2.683 1.716 -7.572 1.00 10.00 O ATOM 936 CB TYR A 469 -0.858 -0.085 -6.046 1.00 10.00 C ATOM 937 CG TYR A 469 -1.303 0.945 -5.034 1.00 10.00 C ATOM 938 CD1 TYR A 469 -0.774 2.226 -5.050 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.242 0.631 -4.052 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.162 3.172 -4.124 1.00 10.00 C ATOM 941 CE2 TYR A 469 -2.632 1.574 -3.123 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.089 2.842 -3.163 1.00 10.00 C ATOM 943 OH TYR A 469 -2.468 3.781 -2.235 1.00 10.00 O ATOM 0 H TYR A 469 1.263 1.111 -7.075 1.00 10.00 H new ATOM 0 HA TYR A 469 -1.057 -0.333 -8.176 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.591 -0.892 -6.058 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.084 -0.515 -5.706 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.044 2.488 -5.802 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.669 -0.361 -4.018 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -0.740 4.166 -4.153 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.360 1.320 -2.367 1.00 10.00 H new ATOM 0 HH TYR A 469 -2.403 4.676 -2.629 1.00 10.00 H new ATOM 953 N TYR A 470 -0.768 2.796 -8.032 1.00 10.00 N ATOM 954 CA TYR A 470 -1.435 4.075 -8.237 1.00 10.00 C ATOM 955 C TYR A 470 -1.684 4.359 -9.717 1.00 10.00 C ATOM 956 O TYR A 470 -2.652 5.039 -10.063 1.00 10.00 O ATOM 957 CB TYR A 470 -0.617 5.205 -7.589 1.00 10.00 C ATOM 958 CG TYR A 470 -0.078 6.236 -8.561 1.00 10.00 C ATOM 959 CD1 TYR A 470 0.849 5.882 -9.531 1.00 10.00 C ATOM 960 CD2 TYR A 470 -0.498 7.558 -8.507 1.00 10.00 C ATOM 961 CE1 TYR A 470 1.344 6.812 -10.419 1.00 10.00 C ATOM 962 CE2 TYR A 470 -0.007 8.499 -9.393 1.00 10.00 C ATOM 963 CZ TYR A 470 0.914 8.121 -10.348 1.00 10.00 C ATOM 964 OH TYR A 470 1.406 9.053 -11.232 1.00 10.00 O ATOM 0 H TYR A 470 0.244 2.819 -8.153 1.00 10.00 H new ATOM 0 HA TYR A 470 -2.412 4.025 -7.756 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -1.242 5.711 -6.853 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.220 4.764 -7.047 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.189 4.859 -9.591 1.00 10.00 H new ATOM 0 HD2 TYR A 470 -1.220 7.856 -7.761 1.00 10.00 H new ATOM 0 HE1 TYR A 470 2.065 6.518 -11.167 1.00 10.00 H new ATOM 0 HE2 TYR A 470 -0.343 9.524 -9.338 1.00 10.00 H new ATOM 0 HH TYR A 470 1.000 9.926 -11.047 1.00 10.00 H new ATOM 974 N TYR A 471 -0.815 3.858 -10.594 1.00 10.00 N ATOM 975 CA TYR A 471 -0.988 4.104 -12.020 1.00 10.00 C ATOM 976 C TYR A 471 -1.885 3.060 -12.679 1.00 10.00 C ATOM 977 O TYR A 471 -2.307 3.232 -13.822 1.00 10.00 O ATOM 978 CB TYR A 471 0.363 4.209 -12.743 1.00 10.00 C ATOM 979 CG TYR A 471 1.306 3.026 -12.588 1.00 10.00 C ATOM 980 CD1 TYR A 471 0.845 1.727 -12.381 1.00 10.00 C ATOM 981 CD2 TYR A 471 2.680 3.220 -12.682 1.00 10.00 C ATOM 982 CE1 TYR A 471 1.726 0.668 -12.270 1.00 10.00 C ATOM 983 CE2 TYR A 471 3.563 2.165 -12.577 1.00 10.00 C ATOM 984 CZ TYR A 471 3.082 0.892 -12.372 1.00 10.00 C ATOM 985 OH TYR A 471 3.960 -0.163 -12.267 1.00 10.00 O ATOM 0 H TYR A 471 -0.003 3.292 -10.348 1.00 10.00 H new ATOM 0 HA TYR A 471 -1.492 5.066 -12.113 1.00 10.00 H new ATOM 0 HB2 TYR A 471 0.171 4.356 -13.806 1.00 10.00 H new ATOM 0 HB3 TYR A 471 0.874 5.103 -12.384 1.00 10.00 H new ATOM 0 HD1 TYR A 471 -0.217 1.545 -12.306 1.00 10.00 H new ATOM 0 HD2 TYR A 471 3.064 4.217 -12.840 1.00 10.00 H new ATOM 0 HE1 TYR A 471 1.353 -0.332 -12.104 1.00 10.00 H new ATOM 0 HE2 TYR A 471 4.626 2.337 -12.655 1.00 10.00 H new ATOM 0 HH TYR A 471 4.842 0.112 -12.594 1.00 10.00 H new ATOM 995 N LEU A 472 -2.191 1.988 -11.954 1.00 10.00 N ATOM 996 CA LEU A 472 -3.059 0.942 -12.486 1.00 10.00 C ATOM 997 C LEU A 472 -4.450 1.033 -11.853 1.00 10.00 C ATOM 998 O LEU A 472 -5.378 0.334 -12.260 1.00 10.00 O ATOM 999 CB LEU A 472 -2.433 -0.445 -12.264 1.00 10.00 C ATOM 1000 CG LEU A 472 -2.700 -1.101 -10.908 1.00 10.00 C ATOM 1001 CD1 LEU A 472 -2.436 -0.115 -9.787 1.00 10.00 C ATOM 1002 CD2 LEU A 472 -4.121 -1.640 -10.833 1.00 10.00 C ATOM 0 H LEU A 472 -1.855 1.821 -11.006 1.00 10.00 H new ATOM 0 HA LEU A 472 -3.168 1.089 -13.561 1.00 10.00 H new ATOM 0 HB2 LEU A 472 -2.797 -1.113 -13.045 1.00 10.00 H new ATOM 0 HB3 LEU A 472 -1.354 -0.358 -12.396 1.00 10.00 H new ATOM 0 HG LEU A 472 -2.019 -1.945 -10.794 1.00 10.00 H new ATOM 0 HD11 LEU A 472 -2.630 -0.595 -8.828 1.00 10.00 H new ATOM 0 HD12 LEU A 472 -1.397 0.211 -9.826 1.00 10.00 H new ATOM 0 HD13 LEU A 472 -3.092 0.748 -9.900 1.00 10.00 H new ATOM 0 HD21 LEU A 472 -4.284 -2.101 -9.859 1.00 10.00 H new ATOM 0 HD22 LEU A 472 -4.828 -0.822 -10.970 1.00 10.00 H new ATOM 0 HD23 LEU A 472 -4.270 -2.384 -11.616 1.00 10.00 H new ATOM 1014 N THR A 473 -4.582 1.911 -10.859 1.00 10.00 N ATOM 1015 CA THR A 473 -5.844 2.117 -10.165 1.00 10.00 C ATOM 1016 C THR A 473 -6.524 3.377 -10.685 1.00 10.00 C ATOM 1017 O THR A 473 -7.751 3.474 -10.696 1.00 10.00 O ATOM 1018 CB THR A 473 -5.605 2.229 -8.655 1.00 10.00 C ATOM 1019 OG1 THR A 473 -4.558 3.143 -8.381 1.00 10.00 O ATOM 1020 CG2 THR A 473 -5.244 0.909 -7.999 1.00 10.00 C ATOM 0 H THR A 473 -3.819 2.495 -10.517 1.00 10.00 H new ATOM 0 HA THR A 473 -6.494 1.262 -10.353 1.00 10.00 H new ATOM 0 HB THR A 473 -6.553 2.573 -8.240 1.00 10.00 H new ATOM 0 HG1 THR A 473 -3.694 2.693 -8.491 1.00 10.00 H new ATOM 0 HG21 THR A 473 -5.089 1.064 -6.931 1.00 10.00 H new ATOM 0 HG22 THR A 473 -6.054 0.195 -8.149 1.00 10.00 H new ATOM 0 HG23 THR A 473 -4.329 0.519 -8.445 1.00 10.00 H new ATOM 1028 N LYS A 474 -5.715 4.339 -11.115 1.00 10.00 N ATOM 1029 CA LYS A 474 -6.229 5.597 -11.638 1.00 10.00 C ATOM 1030 C LYS A 474 -6.541 5.484 -13.127 1.00 10.00 C ATOM 1031 O LYS A 474 -7.378 6.218 -13.652 1.00 10.00 O ATOM 1032 CB LYS A 474 -5.219 6.720 -11.395 1.00 10.00 C ATOM 1033 CG LYS A 474 -3.921 6.548 -12.168 1.00 10.00 C ATOM 1034 CD LYS A 474 -4.051 7.068 -13.589 1.00 10.00 C ATOM 1035 CE LYS A 474 -2.824 7.863 -14.006 1.00 10.00 C ATOM 1036 NZ LYS A 474 -3.170 8.967 -14.944 1.00 10.00 N ATOM 0 H LYS A 474 -4.697 4.270 -11.111 1.00 10.00 H new ATOM 0 HA LYS A 474 -7.155 5.831 -11.113 1.00 10.00 H new ATOM 0 HB2 LYS A 474 -5.673 7.672 -11.671 1.00 10.00 H new ATOM 0 HB3 LYS A 474 -4.994 6.771 -10.330 1.00 10.00 H new ATOM 0 HG2 LYS A 474 -3.118 7.079 -11.657 1.00 10.00 H new ATOM 0 HG3 LYS A 474 -3.644 5.494 -12.188 1.00 10.00 H new ATOM 0 HD2 LYS A 474 -4.193 6.231 -14.272 1.00 10.00 H new ATOM 0 HD3 LYS A 474 -4.938 7.697 -13.668 1.00 10.00 H new ATOM 0 HE2 LYS A 474 -2.341 8.277 -13.121 1.00 10.00 H new ATOM 0 HE3 LYS A 474 -2.103 7.196 -14.480 1.00 10.00 H new ATOM 0 HZ1 LYS A 474 -2.306 9.485 -15.204 1.00 10.00 H new ATOM 0 HZ2 LYS A 474 -3.608 8.571 -15.800 1.00 10.00 H new ATOM 0 HZ3 LYS A 474 -3.838 9.617 -14.483 1.00 10.00 H new ATOM 1050 N LYS A 475 -5.868 4.562 -13.803 1.00 10.00 N ATOM 1051 CA LYS A 475 -6.083 4.357 -15.230 1.00 10.00 C ATOM 1052 C LYS A 475 -7.515 3.904 -15.504 1.00 10.00 C ATOM 1053 O LYS A 475 -8.024 4.064 -16.614 1.00 10.00 O ATOM 1054 CB LYS A 475 -5.093 3.325 -15.773 1.00 10.00 C ATOM 1055 CG LYS A 475 -3.873 3.942 -16.436 1.00 10.00 C ATOM 1056 CD LYS A 475 -3.244 2.990 -17.441 1.00 10.00 C ATOM 1057 CE LYS A 475 -2.442 1.900 -16.750 1.00 10.00 C ATOM 1058 NZ LYS A 475 -2.361 0.663 -17.575 1.00 10.00 N ATOM 0 H LYS A 475 -5.170 3.945 -13.387 1.00 10.00 H new ATOM 0 HA LYS A 475 -5.919 5.307 -15.738 1.00 10.00 H new ATOM 0 HB2 LYS A 475 -4.766 2.683 -14.955 1.00 10.00 H new ATOM 0 HB3 LYS A 475 -5.605 2.688 -16.494 1.00 10.00 H new ATOM 0 HG2 LYS A 475 -4.159 4.866 -16.938 1.00 10.00 H new ATOM 0 HG3 LYS A 475 -3.139 4.207 -15.675 1.00 10.00 H new ATOM 0 HD2 LYS A 475 -4.025 2.537 -18.052 1.00 10.00 H new ATOM 0 HD3 LYS A 475 -2.595 3.548 -18.116 1.00 10.00 H new ATOM 0 HE2 LYS A 475 -1.436 2.265 -16.543 1.00 10.00 H new ATOM 0 HE3 LYS A 475 -2.900 1.666 -15.789 1.00 10.00 H new ATOM 0 HZ1 LYS A 475 -1.806 -0.056 -17.069 1.00 10.00 H new ATOM 0 HZ2 LYS A 475 -3.319 0.300 -17.751 1.00 10.00 H new ATOM 0 HZ3 LYS A 475 -1.901 0.880 -18.482 1.00 10.00 H new ATOM 1072 N ASN A 476 -8.160 3.334 -14.488 1.00 10.00 N ATOM 1073 CA ASN A 476 -9.531 2.854 -14.627 1.00 10.00 C ATOM 1074 C ASN A 476 -10.481 3.580 -13.674 1.00 10.00 C ATOM 1075 O ASN A 476 -11.694 3.582 -13.885 1.00 10.00 O ATOM 1076 CB ASN A 476 -9.590 1.348 -14.368 1.00 10.00 C ATOM 1077 CG ASN A 476 -8.949 0.545 -15.483 1.00 10.00 C ATOM 1078 OD1 ASN A 476 -8.224 1.086 -16.316 1.00 10.00 O ATOM 1079 ND2 ASN A 476 -9.215 -0.756 -15.503 1.00 10.00 N ATOM 0 H ASN A 476 -7.755 3.194 -13.562 1.00 10.00 H new ATOM 0 HA ASN A 476 -9.852 3.062 -15.648 1.00 10.00 H new ATOM 0 HB2 ASN A 476 -9.087 1.124 -13.427 1.00 10.00 H new ATOM 0 HB3 ASN A 476 -10.630 1.042 -14.255 1.00 10.00 H new ATOM 0 HD21 ASN A 476 -8.812 -1.348 -16.230 1.00 10.00 H new ATOM 0 HD22 ASN A 476 -9.822 -1.163 -14.792 1.00 10.00 H new ATOM 1086 N GLU A 477 -9.934 4.192 -12.626 1.00 10.00 N ATOM 1087 CA GLU A 477 -10.755 4.910 -11.654 1.00 10.00 C ATOM 1088 C GLU A 477 -10.651 6.420 -11.852 1.00 10.00 C ATOM 1089 O GLU A 477 -11.542 7.169 -11.453 1.00 10.00 O ATOM 1090 CB GLU A 477 -10.336 4.540 -10.230 1.00 10.00 C ATOM 1091 CG GLU A 477 -10.357 3.045 -9.959 1.00 10.00 C ATOM 1092 CD GLU A 477 -11.757 2.516 -9.711 1.00 10.00 C ATOM 1093 OE1 GLU A 477 -12.709 3.053 -10.316 1.00 10.00 O ATOM 1094 OE2 GLU A 477 -11.900 1.567 -8.914 1.00 10.00 O ATOM 0 H GLU A 477 -8.933 4.205 -12.429 1.00 10.00 H new ATOM 0 HA GLU A 477 -11.793 4.616 -11.810 1.00 10.00 H new ATOM 0 HB2 GLU A 477 -9.331 4.920 -10.045 1.00 10.00 H new ATOM 0 HB3 GLU A 477 -11.000 5.038 -9.524 1.00 10.00 H new ATOM 0 HG2 GLU A 477 -9.919 2.520 -10.808 1.00 10.00 H new ATOM 0 HG3 GLU A 477 -9.732 2.828 -9.093 1.00 10.00 H new ATOM 1101 N ASN A 478 -9.559 6.861 -12.469 1.00 10.00 N ATOM 1102 CA ASN A 478 -9.342 8.281 -12.717 1.00 10.00 C ATOM 1103 C ASN A 478 -9.227 9.050 -11.405 1.00 10.00 C ATOM 1104 O ASN A 478 -10.138 9.784 -11.020 1.00 10.00 O ATOM 1105 CB ASN A 478 -10.482 8.855 -13.562 1.00 10.00 C ATOM 1106 CG ASN A 478 -10.021 9.984 -14.464 1.00 10.00 C ATOM 1107 OD1 ASN A 478 -8.851 10.364 -14.454 1.00 10.00 O ATOM 1108 ND2 ASN A 478 -10.944 10.528 -15.248 1.00 10.00 N ATOM 0 H ASN A 478 -8.811 6.255 -12.806 1.00 10.00 H new ATOM 0 HA ASN A 478 -8.406 8.390 -13.264 1.00 10.00 H new ATOM 0 HB2 ASN A 478 -10.915 8.061 -14.171 1.00 10.00 H new ATOM 0 HB3 ASN A 478 -11.271 9.218 -12.904 1.00 10.00 H new ATOM 0 HD21 ASN A 478 -10.694 11.293 -15.875 1.00 10.00 H new ATOM 0 HD22 ASN A 478 -11.903 10.181 -15.224 1.00 10.00 H new ATOM 1115 N TYR A 479 -8.101 8.877 -10.720 1.00 10.00 N ATOM 1116 CA TYR A 479 -7.867 9.555 -9.453 1.00 10.00 C ATOM 1117 C TYR A 479 -6.373 9.760 -9.211 1.00 10.00 C ATOM 1118 O TYR A 479 -5.610 8.799 -9.114 1.00 10.00 O ATOM 1119 CB TYR A 479 -8.496 8.761 -8.300 1.00 10.00 C ATOM 1120 CG TYR A 479 -7.658 7.597 -7.810 1.00 10.00 C ATOM 1121 CD1 TYR A 479 -7.576 6.415 -8.537 1.00 10.00 C ATOM 1122 CD2 TYR A 479 -6.955 7.683 -6.616 1.00 10.00 C ATOM 1123 CE1 TYR A 479 -6.816 5.351 -8.085 1.00 10.00 C ATOM 1124 CE2 TYR A 479 -6.192 6.627 -6.159 1.00 10.00 C ATOM 1125 CZ TYR A 479 -6.126 5.464 -6.897 1.00 10.00 C ATOM 1126 OH TYR A 479 -5.367 4.410 -6.443 1.00 10.00 O ATOM 0 H TYR A 479 -7.337 8.273 -11.022 1.00 10.00 H new ATOM 0 HA TYR A 479 -8.338 10.537 -9.499 1.00 10.00 H new ATOM 0 HB2 TYR A 479 -8.678 9.438 -7.466 1.00 10.00 H new ATOM 0 HB3 TYR A 479 -9.467 8.384 -8.622 1.00 10.00 H new ATOM 0 HD1 TYR A 479 -8.114 6.326 -9.469 1.00 10.00 H new ATOM 0 HD2 TYR A 479 -7.006 8.592 -6.035 1.00 10.00 H new ATOM 0 HE1 TYR A 479 -6.764 4.438 -8.659 1.00 10.00 H new ATOM 0 HE2 TYR A 479 -5.650 6.711 -5.229 1.00 10.00 H new ATOM 0 HH TYR A 479 -4.753 4.121 -7.150 1.00 10.00 H new ATOM 1136 N LYS A 480 -5.963 11.020 -9.119 1.00 10.00 N ATOM 1137 CA LYS A 480 -4.562 11.354 -8.891 1.00 10.00 C ATOM 1138 C LYS A 480 -4.434 12.625 -8.058 1.00 10.00 C ATOM 1139 O LYS A 480 -3.883 12.546 -6.940 1.00 10.00 O ATOM 1140 CB LYS A 480 -3.834 11.529 -10.225 1.00 10.00 C ATOM 1141 CG LYS A 480 -2.354 11.838 -10.074 1.00 10.00 C ATOM 1142 CD LYS A 480 -1.845 12.701 -11.217 1.00 10.00 C ATOM 1143 CE LYS A 480 -0.778 13.676 -10.747 1.00 10.00 C ATOM 1144 NZ LYS A 480 0.275 13.001 -9.939 1.00 10.00 N ATOM 1145 OXT LYS A 480 -4.885 13.690 -8.531 1.00 10.00 O ATOM 0 H LYS A 480 -6.581 11.827 -9.199 1.00 10.00 H new ATOM 0 HA LYS A 480 -4.104 10.533 -8.340 1.00 10.00 H new ATOM 0 HB2 LYS A 480 -3.948 10.619 -10.814 1.00 10.00 H new ATOM 0 HB3 LYS A 480 -4.309 12.334 -10.786 1.00 10.00 H new ATOM 0 HG2 LYS A 480 -2.183 12.349 -9.127 1.00 10.00 H new ATOM 0 HG3 LYS A 480 -1.789 10.907 -10.040 1.00 10.00 H new ATOM 0 HD2 LYS A 480 -1.437 12.064 -12.001 1.00 10.00 H new ATOM 0 HD3 LYS A 480 -2.676 13.253 -11.655 1.00 10.00 H new ATOM 0 HE2 LYS A 480 -0.320 14.157 -11.611 1.00 10.00 H new ATOM 0 HE3 LYS A 480 -1.242 14.463 -10.153 1.00 10.00 H new ATOM 0 HZ1 LYS A 480 1.120 13.606 -9.896 1.00 10.00 H new ATOM 0 HZ2 LYS A 480 -0.080 12.833 -8.976 1.00 10.00 H new ATOM 0 HZ3 LYS A 480 0.522 12.092 -10.380 1.00 10.00 H new TER 1159 LYS A 480