USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=20 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 -25:sc= 1.16 USER MOD Set 1.2: A 479 TYR OH : rot 39:sc= -0.132 USER MOD Single : A 413 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 416 MET CE :methyl -172:sc= 0 (180deg=-0.0663) USER MOD Single : A 420 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ 135:sc= -0.904 (180deg=-3.5!) USER MOD Single : A 423 TYR OH : rot 130:sc= -2.69 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 GLN : amide:sc= -1.74! C(o=-1.7!,f=-1.7!) USER MOD Single : A 429 MET CE :methyl 163:sc= -0.0994 (180deg=-0.544) USER MOD Single : A 430 ASN : amide:sc= -1.74 K(o=-1.7,f=-3.9!) USER MOD Single : A 431 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= -2.5 USER MOD Single : A 435 GLN : amide:sc= -6.38! C(o=-6.4!,f=-4.1!) USER MOD Single : A 437 LYS NZ :NH3+ -137:sc= 0.837 (180deg=-1.91!) USER MOD Single : A 439 THR OG1 : rot 80:sc= -1.09 USER MOD Single : A 443 LYS NZ :NH3+ 135:sc= -0.296 (180deg=-1.34!) USER MOD Single : A 445 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.16) USER MOD Single : A 447 HIS : no HE2:sc= -15! C(o=-15!,f=-14!) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 ASN : amide:sc= -7.7! C(o=-7.7!,f=-14!) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ -125:sc= -3.52 (180deg=-4.76!) USER MOD Single : A 462 THR OG1 : rot 180:sc= -0.0256 USER MOD Single : A 466 CYS SG : rot -139:sc= -0.61 USER MOD Single : A 469 TYR OH : rot 78:sc= -2.5! USER MOD Single : A 470 TYR OH : rot 180:sc= 0 USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD Single : A 474 LYS NZ :NH3+ 173:sc= 0.708 (180deg=0.398) USER MOD Single : A 475 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0134) USER MOD Single : A 476 ASN : amide:sc= -2.39 K(o=-2.4,f=-7.2!) USER MOD Single : A 478 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.68) USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 413 0.659 11.937 16.963 1.00 10.00 N ATOM 2 CA ASN A 413 -0.042 11.794 18.234 1.00 10.00 C ATOM 3 C ASN A 413 -0.611 10.388 18.388 1.00 10.00 C ATOM 4 O ASN A 413 -1.798 10.159 18.154 1.00 10.00 O ATOM 5 CB ASN A 413 -1.167 12.826 18.340 1.00 10.00 C ATOM 6 CG ASN A 413 -1.372 13.315 19.760 1.00 10.00 C ATOM 7 OD1 ASN A 413 -1.606 12.523 20.673 1.00 10.00 O ATOM 8 ND2 ASN A 413 -1.288 14.626 19.953 1.00 10.00 N ATOM 0 HA ASN A 413 0.676 11.965 19.036 1.00 10.00 H new ATOM 0 HB2 ASN A 413 -0.939 13.675 17.696 1.00 10.00 H new ATOM 0 HB3 ASN A 413 -2.095 12.387 17.972 1.00 10.00 H new ATOM 0 HD21 ASN A 413 -1.419 15.013 20.887 1.00 10.00 H new ATOM 0 HD22 ASN A 413 -1.092 15.246 19.167 1.00 10.00 H new ATOM 15 N GLY A 414 0.243 9.449 18.781 1.00 10.00 N ATOM 16 CA GLY A 414 -0.193 8.077 18.958 1.00 10.00 C ATOM 17 C GLY A 414 0.955 7.089 18.888 1.00 10.00 C ATOM 18 O GLY A 414 0.933 6.051 19.550 1.00 10.00 O ATOM 0 H GLY A 414 1.230 9.614 18.980 1.00 10.00 H new ATOM 0 HA2 GLY A 414 -0.694 7.980 19.921 1.00 10.00 H new ATOM 0 HA3 GLY A 414 -0.927 7.831 18.191 1.00 10.00 H new ATOM 22 N LEU A 415 1.962 7.411 18.082 1.00 10.00 N ATOM 23 CA LEU A 415 3.124 6.545 17.927 1.00 10.00 C ATOM 24 C LEU A 415 2.715 5.175 17.395 1.00 10.00 C ATOM 25 O LEU A 415 2.414 4.264 18.165 1.00 10.00 O ATOM 26 CB LEU A 415 3.853 6.390 19.263 1.00 10.00 C ATOM 27 CG LEU A 415 4.757 7.562 19.647 1.00 10.00 C ATOM 28 CD1 LEU A 415 3.967 8.618 20.404 1.00 10.00 C ATOM 29 CD2 LEU A 415 5.935 7.075 20.478 1.00 10.00 C ATOM 0 H LEU A 415 1.996 8.266 17.526 1.00 10.00 H new ATOM 0 HA LEU A 415 3.797 7.008 17.206 1.00 10.00 H new ATOM 0 HB2 LEU A 415 3.112 6.250 20.050 1.00 10.00 H new ATOM 0 HB3 LEU A 415 4.456 5.483 19.227 1.00 10.00 H new ATOM 0 HG LEU A 415 5.145 8.014 18.734 1.00 10.00 H new ATOM 0 HD11 LEU A 415 4.626 9.445 20.669 1.00 10.00 H new ATOM 0 HD12 LEU A 415 3.157 8.987 19.775 1.00 10.00 H new ATOM 0 HD13 LEU A 415 3.551 8.180 21.311 1.00 10.00 H new ATOM 0 HD21 LEU A 415 6.568 7.922 20.743 1.00 10.00 H new ATOM 0 HD22 LEU A 415 5.567 6.599 21.387 1.00 10.00 H new ATOM 0 HD23 LEU A 415 6.515 6.355 19.900 1.00 10.00 H new ATOM 41 N MET A 416 2.706 5.037 16.072 1.00 10.00 N ATOM 42 CA MET A 416 2.335 3.779 15.438 1.00 10.00 C ATOM 43 C MET A 416 3.571 3.028 14.953 1.00 10.00 C ATOM 44 O MET A 416 4.450 3.606 14.313 1.00 10.00 O ATOM 45 CB MET A 416 1.387 4.036 14.264 1.00 10.00 C ATOM 46 CG MET A 416 0.359 2.935 14.060 1.00 10.00 C ATOM 47 SD MET A 416 -1.211 3.292 14.873 1.00 10.00 S ATOM 48 CE MET A 416 -1.084 2.253 16.326 1.00 10.00 C ATOM 0 H MET A 416 2.952 5.782 15.420 1.00 10.00 H new ATOM 0 HA MET A 416 1.826 3.163 16.180 1.00 10.00 H new ATOM 0 HB2 MET A 416 0.868 4.981 14.427 1.00 10.00 H new ATOM 0 HB3 MET A 416 1.973 4.148 13.352 1.00 10.00 H new ATOM 0 HG2 MET A 416 0.188 2.796 12.993 1.00 10.00 H new ATOM 0 HG3 MET A 416 0.757 1.996 14.444 1.00 10.00 H new ATOM 0 HE1 MET A 416 -2.036 2.253 16.858 1.00 10.00 H new ATOM 0 HE2 MET A 416 -0.837 1.235 16.025 1.00 10.00 H new ATOM 0 HE3 MET A 416 -0.302 2.638 16.981 1.00 10.00 H new ATOM 58 N ALA A 417 3.632 1.738 15.264 1.00 10.00 N ATOM 59 CA ALA A 417 4.761 0.907 14.859 1.00 10.00 C ATOM 60 C ALA A 417 4.340 -0.549 14.694 1.00 10.00 C ATOM 61 O ALA A 417 3.152 -0.869 14.718 1.00 10.00 O ATOM 62 CB ALA A 417 5.889 1.021 15.874 1.00 10.00 C ATOM 0 H ALA A 417 2.914 1.245 15.795 1.00 10.00 H new ATOM 0 HA ALA A 417 5.117 1.266 13.893 1.00 10.00 H new ATOM 0 HB1 ALA A 417 6.725 0.396 15.560 1.00 10.00 H new ATOM 0 HB2 ALA A 417 6.216 2.059 15.940 1.00 10.00 H new ATOM 0 HB3 ALA A 417 5.535 0.690 16.850 1.00 10.00 H new ATOM 68 N ASP A 418 5.322 -1.428 14.527 1.00 10.00 N ATOM 69 CA ASP A 418 5.054 -2.851 14.358 1.00 10.00 C ATOM 70 C ASP A 418 4.201 -3.101 13.117 1.00 10.00 C ATOM 71 O ASP A 418 2.973 -3.155 13.197 1.00 10.00 O ATOM 72 CB ASP A 418 4.350 -3.409 15.596 1.00 10.00 C ATOM 73 CG ASP A 418 5.064 -3.042 16.882 1.00 10.00 C ATOM 74 OD1 ASP A 418 6.247 -3.410 17.030 1.00 10.00 O ATOM 75 OD2 ASP A 418 4.438 -2.386 17.741 1.00 10.00 O ATOM 0 H ASP A 418 6.311 -1.180 14.505 1.00 10.00 H new ATOM 0 HA ASP A 418 6.008 -3.362 14.230 1.00 10.00 H new ATOM 0 HB2 ASP A 418 3.328 -3.031 15.631 1.00 10.00 H new ATOM 0 HB3 ASP A 418 4.286 -4.494 15.516 1.00 10.00 H new ATOM 80 N PRO A 419 4.842 -3.259 11.946 1.00 10.00 N ATOM 81 CA PRO A 419 4.135 -3.505 10.684 1.00 10.00 C ATOM 82 C PRO A 419 3.157 -4.671 10.787 1.00 10.00 C ATOM 83 O PRO A 419 3.510 -5.750 11.263 1.00 10.00 O ATOM 84 CB PRO A 419 5.262 -3.838 9.703 1.00 10.00 C ATOM 85 CG PRO A 419 6.466 -3.165 10.267 1.00 10.00 C ATOM 86 CD PRO A 419 6.305 -3.212 11.761 1.00 10.00 C ATOM 0 HA PRO A 419 3.529 -2.650 10.383 1.00 10.00 H new ATOM 0 HB2 PRO A 419 5.412 -4.915 9.622 1.00 10.00 H new ATOM 0 HB3 PRO A 419 5.036 -3.472 8.702 1.00 10.00 H new ATOM 0 HG2 PRO A 419 7.379 -3.674 9.957 1.00 10.00 H new ATOM 0 HG3 PRO A 419 6.539 -2.136 9.915 1.00 10.00 H new ATOM 0 HD2 PRO A 419 6.793 -4.087 12.190 1.00 10.00 H new ATOM 0 HD3 PRO A 419 6.743 -2.336 12.240 1.00 10.00 H new ATOM 94 N MET A 420 1.927 -4.445 10.338 1.00 10.00 N ATOM 95 CA MET A 420 0.898 -5.475 10.378 1.00 10.00 C ATOM 96 C MET A 420 0.255 -5.645 9.011 1.00 10.00 C ATOM 97 O MET A 420 0.650 -6.523 8.247 1.00 10.00 O ATOM 98 CB MET A 420 -0.159 -5.123 11.429 1.00 10.00 C ATOM 99 CG MET A 420 -0.182 -6.076 12.612 1.00 10.00 C ATOM 100 SD MET A 420 0.922 -5.561 13.942 1.00 10.00 S ATOM 101 CE MET A 420 0.839 -6.986 15.024 1.00 10.00 C ATOM 0 H MET A 420 1.619 -3.557 9.942 1.00 10.00 H new ATOM 0 HA MET A 420 1.364 -6.421 10.654 1.00 10.00 H new ATOM 0 HB2 MET A 420 0.024 -4.112 11.792 1.00 10.00 H new ATOM 0 HB3 MET A 420 -1.141 -5.119 10.957 1.00 10.00 H new ATOM 0 HG2 MET A 420 -1.199 -6.147 12.997 1.00 10.00 H new ATOM 0 HG3 MET A 420 0.102 -7.073 12.276 1.00 10.00 H new ATOM 0 HE1 MET A 420 1.472 -6.819 15.895 1.00 10.00 H new ATOM 0 HE2 MET A 420 -0.191 -7.138 15.347 1.00 10.00 H new ATOM 0 HE3 MET A 420 1.185 -7.870 14.489 1.00 10.00 H new ATOM 111 N LYS A 421 -0.732 -4.806 8.701 1.00 10.00 N ATOM 112 CA LYS A 421 -1.417 -4.886 7.413 1.00 10.00 C ATOM 113 C LYS A 421 -0.406 -4.990 6.286 1.00 10.00 C ATOM 114 O LYS A 421 0.134 -3.988 5.818 1.00 10.00 O ATOM 115 CB LYS A 421 -2.328 -3.686 7.198 1.00 10.00 C ATOM 116 CG LYS A 421 -2.851 -3.568 5.775 1.00 10.00 C ATOM 117 CD LYS A 421 -4.154 -4.315 5.595 1.00 10.00 C ATOM 118 CE LYS A 421 -4.309 -4.857 4.184 1.00 10.00 C ATOM 119 NZ LYS A 421 -5.702 -4.704 3.679 1.00 10.00 N ATOM 0 H LYS A 421 -1.073 -4.069 9.318 1.00 10.00 H new ATOM 0 HA LYS A 421 -2.038 -5.782 7.416 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -3.173 -3.754 7.883 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.784 -2.777 7.453 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -2.997 -2.517 5.527 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -2.108 -3.960 5.080 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -4.201 -5.139 6.307 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -4.987 -3.650 5.822 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -3.622 -4.335 3.517 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -4.031 -5.911 4.167 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -5.680 -4.340 2.705 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -6.180 -5.628 3.693 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -6.220 -4.037 4.286 1.00 10.00 H new ATOM 133 N VAL A 422 -0.149 -6.218 5.878 1.00 10.00 N ATOM 134 CA VAL A 422 0.810 -6.501 4.832 1.00 10.00 C ATOM 135 C VAL A 422 0.918 -8.006 4.642 1.00 10.00 C ATOM 136 O VAL A 422 0.902 -8.517 3.523 1.00 10.00 O ATOM 137 CB VAL A 422 2.174 -5.894 5.200 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.959 -6.801 6.142 1.00 10.00 C ATOM 139 CG2 VAL A 422 2.979 -5.577 3.950 1.00 10.00 C ATOM 0 H VAL A 422 -0.601 -7.047 6.264 1.00 10.00 H new ATOM 0 HA VAL A 422 0.479 -6.054 3.895 1.00 10.00 H new ATOM 0 HB VAL A 422 1.986 -4.961 5.731 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.917 -6.338 6.379 1.00 10.00 H new ATOM 0 HG12 VAL A 422 2.391 -6.950 7.060 1.00 10.00 H new ATOM 0 HG13 VAL A 422 3.131 -7.764 5.661 1.00 10.00 H new ATOM 0 HG21 VAL A 422 3.940 -5.149 4.235 1.00 10.00 H new ATOM 0 HG22 VAL A 422 3.144 -6.492 3.382 1.00 10.00 H new ATOM 0 HG23 VAL A 422 2.431 -4.862 3.336 1.00 10.00 H new ATOM 149 N TYR A 423 0.985 -8.703 5.770 1.00 10.00 N ATOM 150 CA TYR A 423 1.047 -10.159 5.794 1.00 10.00 C ATOM 151 C TYR A 423 0.000 -10.757 4.854 1.00 10.00 C ATOM 152 O TYR A 423 0.166 -11.870 4.354 1.00 10.00 O ATOM 153 CB TYR A 423 0.837 -10.692 7.227 1.00 10.00 C ATOM 154 CG TYR A 423 0.088 -9.756 8.163 1.00 10.00 C ATOM 155 CD1 TYR A 423 -0.834 -8.836 7.683 1.00 10.00 C ATOM 156 CD2 TYR A 423 0.319 -9.789 9.532 1.00 10.00 C ATOM 157 CE1 TYR A 423 -1.493 -7.978 8.525 1.00 10.00 C ATOM 158 CE2 TYR A 423 -0.345 -8.932 10.388 1.00 10.00 C ATOM 159 CZ TYR A 423 -1.249 -8.025 9.880 1.00 10.00 C ATOM 160 OH TYR A 423 -1.915 -7.172 10.732 1.00 10.00 O ATOM 0 H TYR A 423 0.998 -8.274 6.695 1.00 10.00 H new ATOM 0 HA TYR A 423 2.038 -10.460 5.453 1.00 10.00 H new ATOM 0 HB2 TYR A 423 0.293 -11.635 7.171 1.00 10.00 H new ATOM 0 HB3 TYR A 423 1.812 -10.912 7.662 1.00 10.00 H new ATOM 0 HD1 TYR A 423 -1.037 -8.795 6.623 1.00 10.00 H new ATOM 0 HD2 TYR A 423 1.029 -10.496 9.934 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -2.202 -7.267 8.127 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -0.156 -8.973 11.451 1.00 10.00 H new ATOM 0 HH TYR A 423 -2.302 -7.685 11.472 1.00 10.00 H new ATOM 170 N LYS A 424 -1.068 -10.001 4.601 1.00 10.00 N ATOM 171 CA LYS A 424 -2.123 -10.446 3.704 1.00 10.00 C ATOM 172 C LYS A 424 -1.947 -9.787 2.343 1.00 10.00 C ATOM 173 O LYS A 424 -2.307 -10.353 1.311 1.00 10.00 O ATOM 174 CB LYS A 424 -3.498 -10.107 4.281 1.00 10.00 C ATOM 175 CG LYS A 424 -4.022 -11.147 5.257 1.00 10.00 C ATOM 176 CD LYS A 424 -5.531 -11.299 5.152 1.00 10.00 C ATOM 177 CE LYS A 424 -6.255 -10.207 5.923 1.00 10.00 C ATOM 178 NZ LYS A 424 -7.728 -10.258 5.708 1.00 10.00 N ATOM 0 H LYS A 424 -1.221 -9.078 5.007 1.00 10.00 H new ATOM 0 HA LYS A 424 -2.057 -11.528 3.591 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -3.443 -9.142 4.786 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -4.209 -9.998 3.462 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -3.544 -12.106 5.059 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -3.754 -10.861 6.274 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -5.829 -11.265 4.104 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -5.827 -12.275 5.536 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -6.040 -10.310 6.987 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -5.877 -9.233 5.614 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -8.185 -9.497 6.251 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -7.936 -10.134 4.696 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -8.094 -11.178 6.026 1.00 10.00 H new ATOM 192 N ASP A 425 -1.382 -8.582 2.355 1.00 10.00 N ATOM 193 CA ASP A 425 -1.144 -7.831 1.128 1.00 10.00 C ATOM 194 C ASP A 425 0.070 -8.361 0.361 1.00 10.00 C ATOM 195 O ASP A 425 0.393 -7.861 -0.715 1.00 10.00 O ATOM 196 CB ASP A 425 -0.938 -6.351 1.449 1.00 10.00 C ATOM 197 CG ASP A 425 -2.037 -5.795 2.326 1.00 10.00 C ATOM 198 OD1 ASP A 425 -3.175 -5.648 1.831 1.00 10.00 O ATOM 199 OD2 ASP A 425 -1.762 -5.507 3.510 1.00 10.00 O ATOM 0 H ASP A 425 -1.080 -8.105 3.204 1.00 10.00 H new ATOM 0 HA ASP A 425 -2.023 -7.954 0.495 1.00 10.00 H new ATOM 0 HB2 ASP A 425 0.023 -6.220 1.947 1.00 10.00 H new ATOM 0 HB3 ASP A 425 -0.895 -5.783 0.520 1.00 10.00 H new ATOM 204 N ARG A 426 0.746 -9.369 0.909 1.00 10.00 N ATOM 205 CA ARG A 426 1.921 -9.942 0.254 1.00 10.00 C ATOM 206 C ARG A 426 1.617 -10.319 -1.193 1.00 10.00 C ATOM 207 O ARG A 426 2.516 -10.370 -2.033 1.00 10.00 O ATOM 208 CB ARG A 426 2.416 -11.168 1.023 1.00 10.00 C ATOM 209 CG ARG A 426 3.929 -11.306 1.039 1.00 10.00 C ATOM 210 CD ARG A 426 4.490 -11.453 -0.367 1.00 10.00 C ATOM 211 NE ARG A 426 5.876 -11.914 -0.358 1.00 10.00 N ATOM 212 CZ ARG A 426 6.658 -11.931 -1.435 1.00 10.00 C ATOM 213 NH1 ARG A 426 6.195 -11.516 -2.607 1.00 10.00 N ATOM 214 NH2 ARG A 426 7.908 -12.366 -1.340 1.00 10.00 N ATOM 0 H ARG A 426 0.503 -9.804 1.799 1.00 10.00 H new ATOM 0 HA ARG A 426 2.705 -9.184 0.251 1.00 10.00 H new ATOM 0 HB2 ARG A 426 2.054 -11.113 2.050 1.00 10.00 H new ATOM 0 HB3 ARG A 426 1.982 -12.064 0.579 1.00 10.00 H new ATOM 0 HG2 ARG A 426 4.370 -10.432 1.518 1.00 10.00 H new ATOM 0 HG3 ARG A 426 4.210 -12.173 1.637 1.00 10.00 H new ATOM 0 HD2 ARG A 426 3.877 -12.157 -0.930 1.00 10.00 H new ATOM 0 HD3 ARG A 426 4.430 -10.495 -0.883 1.00 10.00 H new ATOM 0 HE ARG A 426 6.267 -12.242 0.525 1.00 10.00 H new ATOM 0 HH11 ARG A 426 5.235 -11.181 -2.686 1.00 10.00 H new ATOM 0 HH12 ARG A 426 6.799 -11.532 -3.429 1.00 10.00 H new ATOM 0 HH21 ARG A 426 8.269 -12.687 -0.442 1.00 10.00 H new ATOM 0 HH22 ARG A 426 8.508 -12.379 -2.165 1.00 10.00 H new ATOM 228 N GLN A 427 0.345 -10.561 -1.483 1.00 10.00 N ATOM 229 CA GLN A 427 -0.078 -10.911 -2.835 1.00 10.00 C ATOM 230 C GLN A 427 -0.673 -9.689 -3.521 1.00 10.00 C ATOM 231 O GLN A 427 -1.561 -9.797 -4.368 1.00 10.00 O ATOM 232 CB GLN A 427 -1.087 -12.071 -2.819 1.00 10.00 C ATOM 233 CG GLN A 427 -1.686 -12.366 -1.449 1.00 10.00 C ATOM 234 CD GLN A 427 -0.676 -12.953 -0.477 1.00 10.00 C ATOM 235 OE1 GLN A 427 -0.064 -13.985 -0.747 1.00 10.00 O ATOM 236 NE2 GLN A 427 -0.499 -12.291 0.664 1.00 10.00 N ATOM 0 H GLN A 427 -0.412 -10.522 -0.801 1.00 10.00 H new ATOM 0 HA GLN A 427 0.795 -11.243 -3.396 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.895 -11.843 -3.514 1.00 10.00 H new ATOM 0 HB3 GLN A 427 -0.594 -12.970 -3.188 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -2.094 -11.446 -1.030 1.00 10.00 H new ATOM 0 HG3 GLN A 427 -2.519 -13.060 -1.564 1.00 10.00 H new ATOM 0 HE21 GLN A 427 -1.028 -11.438 0.846 1.00 10.00 H new ATOM 0 HE22 GLN A 427 0.166 -12.636 1.356 1.00 10.00 H new ATOM 245 N VAL A 428 -0.156 -8.526 -3.146 1.00 10.00 N ATOM 246 CA VAL A 428 -0.592 -7.258 -3.705 1.00 10.00 C ATOM 247 C VAL A 428 0.523 -6.649 -4.540 1.00 10.00 C ATOM 248 O VAL A 428 0.268 -5.982 -5.543 1.00 10.00 O ATOM 249 CB VAL A 428 -1.003 -6.268 -2.596 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.283 -4.885 -3.164 1.00 10.00 C ATOM 251 CG2 VAL A 428 -2.213 -6.784 -1.838 1.00 10.00 C ATOM 0 H VAL A 428 0.579 -8.438 -2.444 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.461 -7.450 -4.334 1.00 10.00 H new ATOM 0 HB VAL A 428 -0.167 -6.183 -1.902 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.570 -4.211 -2.357 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.386 -4.504 -3.653 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -2.094 -4.947 -3.890 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -2.486 -6.071 -1.060 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -3.048 -6.908 -2.527 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -1.974 -7.745 -1.382 1.00 10.00 H new ATOM 261 N MET A 429 1.767 -6.893 -4.127 1.00 10.00 N ATOM 262 CA MET A 429 2.925 -6.376 -4.850 1.00 10.00 C ATOM 263 C MET A 429 2.764 -6.593 -6.353 1.00 10.00 C ATOM 264 O MET A 429 3.321 -5.852 -7.164 1.00 10.00 O ATOM 265 CB MET A 429 4.205 -7.056 -4.359 1.00 10.00 C ATOM 266 CG MET A 429 4.155 -8.573 -4.435 1.00 10.00 C ATOM 267 SD MET A 429 4.971 -9.221 -5.907 1.00 10.00 S ATOM 268 CE MET A 429 4.358 -10.904 -5.920 1.00 10.00 C ATOM 0 H MET A 429 1.996 -7.443 -3.299 1.00 10.00 H new ATOM 0 HA MET A 429 2.996 -5.305 -4.659 1.00 10.00 H new ATOM 0 HB2 MET A 429 5.047 -6.698 -4.952 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.392 -6.758 -3.327 1.00 10.00 H new ATOM 0 HG2 MET A 429 4.628 -8.993 -3.547 1.00 10.00 H new ATOM 0 HG3 MET A 429 3.115 -8.899 -4.427 1.00 10.00 H new ATOM 0 HE1 MET A 429 4.517 -11.342 -6.906 1.00 10.00 H new ATOM 0 HE2 MET A 429 4.891 -11.491 -5.172 1.00 10.00 H new ATOM 0 HE3 MET A 429 3.292 -10.905 -5.690 1.00 10.00 H new ATOM 278 N ASN A 430 1.989 -7.614 -6.715 1.00 10.00 N ATOM 279 CA ASN A 430 1.744 -7.933 -8.113 1.00 10.00 C ATOM 280 C ASN A 430 0.247 -8.039 -8.396 1.00 10.00 C ATOM 281 O ASN A 430 -0.168 -8.721 -9.332 1.00 10.00 O ATOM 282 CB ASN A 430 2.435 -9.248 -8.472 1.00 10.00 C ATOM 283 CG ASN A 430 3.878 -9.049 -8.891 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.501 -8.042 -8.554 1.00 10.00 O ATOM 285 ND2 ASN A 430 4.417 -10.011 -9.631 1.00 10.00 N ATOM 0 H ASN A 430 1.520 -8.234 -6.054 1.00 10.00 H new ATOM 0 HA ASN A 430 2.151 -7.128 -8.725 1.00 10.00 H new ATOM 0 HB2 ASN A 430 2.398 -9.920 -7.615 1.00 10.00 H new ATOM 0 HB3 ASN A 430 1.889 -9.733 -9.281 1.00 10.00 H new ATOM 0 HD21 ASN A 430 5.385 -9.932 -9.943 1.00 10.00 H new ATOM 0 HD22 ASN A 430 3.863 -10.828 -9.887 1.00 10.00 H new ATOM 292 N MET A 431 -0.556 -7.355 -7.587 1.00 10.00 N ATOM 293 CA MET A 431 -2.007 -7.367 -7.754 1.00 10.00 C ATOM 294 C MET A 431 -2.705 -6.739 -6.557 1.00 10.00 C ATOM 295 O MET A 431 -3.138 -7.442 -5.645 1.00 10.00 O ATOM 296 CB MET A 431 -2.529 -8.792 -7.935 1.00 10.00 C ATOM 297 CG MET A 431 -2.861 -9.143 -9.376 1.00 10.00 C ATOM 298 SD MET A 431 -2.447 -10.850 -9.787 1.00 10.00 S ATOM 299 CE MET A 431 -1.859 -10.660 -11.468 1.00 10.00 C ATOM 0 H MET A 431 -0.227 -6.785 -6.808 1.00 10.00 H new ATOM 0 HA MET A 431 -2.227 -6.783 -8.648 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.782 -9.493 -7.562 1.00 10.00 H new ATOM 0 HB3 MET A 431 -3.422 -8.923 -7.324 1.00 10.00 H new ATOM 0 HG2 MET A 431 -3.924 -8.979 -9.550 1.00 10.00 H new ATOM 0 HG3 MET A 431 -2.321 -8.471 -10.043 1.00 10.00 H new ATOM 0 HE1 MET A 431 -1.564 -11.632 -11.862 1.00 10.00 H new ATOM 0 HE2 MET A 431 -2.654 -10.243 -12.087 1.00 10.00 H new ATOM 0 HE3 MET A 431 -1.000 -9.989 -11.479 1.00 10.00 H new ATOM 309 N TRP A 432 -2.849 -5.426 -6.579 1.00 10.00 N ATOM 310 CA TRP A 432 -3.539 -4.735 -5.504 1.00 10.00 C ATOM 311 C TRP A 432 -5.029 -4.715 -5.816 1.00 10.00 C ATOM 312 O TRP A 432 -5.491 -3.933 -6.647 1.00 10.00 O ATOM 313 CB TRP A 432 -3.026 -3.302 -5.311 1.00 10.00 C ATOM 314 CG TRP A 432 -1.586 -3.058 -5.678 1.00 10.00 C ATOM 315 CD1 TRP A 432 -0.986 -3.288 -6.881 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.568 -2.497 -4.832 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.319 -2.870 -6.843 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.602 -2.395 -5.600 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.533 -2.062 -3.506 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.787 -1.874 -5.094 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.645 -1.553 -2.998 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.791 -1.458 -3.792 1.00 10.00 C ATOM 0 H TRP A 432 -2.501 -4.821 -7.323 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.347 -5.270 -4.574 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.649 -2.632 -5.903 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.165 -3.026 -4.266 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.468 -3.734 -7.738 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.974 -2.909 -7.624 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.415 -2.123 -2.886 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.673 -1.800 -5.707 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.682 -1.223 -1.970 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.696 -1.048 -3.369 1.00 10.00 H new ATOM 333 N SER A 433 -5.768 -5.603 -5.168 1.00 10.00 N ATOM 334 CA SER A 433 -7.207 -5.713 -5.401 1.00 10.00 C ATOM 335 C SER A 433 -7.965 -4.530 -4.813 1.00 10.00 C ATOM 336 O SER A 433 -7.450 -3.808 -3.964 1.00 10.00 O ATOM 337 CB SER A 433 -7.746 -7.022 -4.817 1.00 10.00 C ATOM 338 OG SER A 433 -6.693 -7.931 -4.542 1.00 10.00 O ATOM 0 H SER A 433 -5.400 -6.258 -4.478 1.00 10.00 H new ATOM 0 HA SER A 433 -7.364 -5.710 -6.480 1.00 10.00 H new ATOM 0 HB2 SER A 433 -8.300 -6.814 -3.901 1.00 10.00 H new ATOM 0 HB3 SER A 433 -8.447 -7.475 -5.518 1.00 10.00 H new ATOM 0 HG SER A 433 -7.064 -8.758 -4.168 1.00 10.00 H new ATOM 344 N GLU A 434 -9.199 -4.343 -5.276 1.00 10.00 N ATOM 345 CA GLU A 434 -10.040 -3.250 -4.800 1.00 10.00 C ATOM 346 C GLU A 434 -10.184 -3.297 -3.283 1.00 10.00 C ATOM 347 O GLU A 434 -10.418 -2.273 -2.640 1.00 10.00 O ATOM 348 CB GLU A 434 -11.420 -3.318 -5.457 1.00 10.00 C ATOM 349 CG GLU A 434 -12.046 -1.954 -5.698 1.00 10.00 C ATOM 350 CD GLU A 434 -13.171 -2.000 -6.713 1.00 10.00 C ATOM 351 OE1 GLU A 434 -13.961 -2.967 -6.681 1.00 10.00 O ATOM 352 OE2 GLU A 434 -13.262 -1.070 -7.541 1.00 10.00 O ATOM 0 H GLU A 434 -9.638 -4.935 -5.981 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.561 -2.310 -5.073 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.335 -3.843 -6.409 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -12.085 -3.908 -4.826 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -12.428 -1.562 -4.755 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -11.278 -1.262 -6.043 1.00 10.00 H new ATOM 359 N GLN A 435 -10.034 -4.489 -2.712 1.00 10.00 N ATOM 360 CA GLN A 435 -10.139 -4.662 -1.273 1.00 10.00 C ATOM 361 C GLN A 435 -8.785 -4.418 -0.619 1.00 10.00 C ATOM 362 O GLN A 435 -8.708 -3.917 0.502 1.00 10.00 O ATOM 363 CB GLN A 435 -10.656 -6.070 -0.947 1.00 10.00 C ATOM 364 CG GLN A 435 -10.693 -6.396 0.541 1.00 10.00 C ATOM 365 CD GLN A 435 -9.313 -6.547 1.157 1.00 10.00 C ATOM 366 OE1 GLN A 435 -9.102 -6.204 2.320 1.00 10.00 O ATOM 367 NE2 GLN A 435 -8.362 -7.060 0.381 1.00 10.00 N ATOM 0 H GLN A 435 -9.839 -5.348 -3.227 1.00 10.00 H new ATOM 0 HA GLN A 435 -10.849 -3.936 -0.877 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -11.660 -6.179 -1.356 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -10.025 -6.802 -1.452 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -11.233 -5.608 1.065 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -11.253 -7.319 0.690 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -8.578 -7.332 -0.578 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -7.417 -7.181 0.745 1.00 10.00 H new ATOM 376 N GLU A 436 -7.717 -4.758 -1.333 1.00 10.00 N ATOM 377 CA GLU A 436 -6.372 -4.557 -0.826 1.00 10.00 C ATOM 378 C GLU A 436 -6.014 -3.085 -0.936 1.00 10.00 C ATOM 379 O GLU A 436 -5.565 -2.474 0.033 1.00 10.00 O ATOM 380 CB GLU A 436 -5.389 -5.461 -1.574 1.00 10.00 C ATOM 381 CG GLU A 436 -5.971 -6.830 -1.904 1.00 10.00 C ATOM 382 CD GLU A 436 -4.939 -7.801 -2.441 1.00 10.00 C ATOM 383 OE1 GLU A 436 -4.433 -7.571 -3.558 1.00 10.00 O ATOM 384 OE2 GLU A 436 -4.637 -8.792 -1.743 1.00 10.00 O ATOM 0 H GLU A 436 -7.761 -5.174 -2.264 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.316 -4.835 0.227 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -5.084 -4.970 -2.498 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.491 -5.590 -0.970 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -6.425 -7.251 -1.007 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -6.767 -6.712 -2.639 1.00 10.00 H new ATOM 391 N LYS A 437 -6.287 -2.493 -2.097 1.00 10.00 N ATOM 392 CA LYS A 437 -6.067 -1.063 -2.289 1.00 10.00 C ATOM 393 C LYS A 437 -6.823 -0.306 -1.208 1.00 10.00 C ATOM 394 O LYS A 437 -6.546 0.854 -0.933 1.00 10.00 O ATOM 395 CB LYS A 437 -6.550 -0.627 -3.674 1.00 10.00 C ATOM 396 CG LYS A 437 -5.489 -0.751 -4.755 1.00 10.00 C ATOM 397 CD LYS A 437 -6.065 -0.474 -6.134 1.00 10.00 C ATOM 398 CE LYS A 437 -4.968 -0.345 -7.180 1.00 10.00 C ATOM 399 NZ LYS A 437 -4.746 -1.621 -7.913 1.00 10.00 N ATOM 0 H LYS A 437 -6.659 -2.978 -2.914 1.00 10.00 H new ATOM 0 HA LYS A 437 -5.001 -0.845 -2.220 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -7.414 -1.229 -3.954 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -6.886 0.409 -3.623 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -4.677 -0.053 -4.551 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -5.061 -1.753 -4.733 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -6.744 -1.279 -6.414 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -6.653 0.443 -6.106 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -5.233 0.439 -7.889 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -4.040 -0.038 -6.697 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -3.725 -1.788 -8.018 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -5.172 -2.406 -7.380 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -5.186 -1.562 -8.853 1.00 10.00 H new ATOM 413 N GLU A 438 -7.772 -0.990 -0.586 1.00 10.00 N ATOM 414 CA GLU A 438 -8.560 -0.397 0.474 1.00 10.00 C ATOM 415 C GLU A 438 -7.678 0.019 1.640 1.00 10.00 C ATOM 416 O GLU A 438 -8.054 0.889 2.419 1.00 10.00 O ATOM 417 CB GLU A 438 -9.627 -1.379 0.953 1.00 10.00 C ATOM 418 CG GLU A 438 -10.901 -0.706 1.441 1.00 10.00 C ATOM 419 CD GLU A 438 -12.152 -1.457 1.029 1.00 10.00 C ATOM 420 OE1 GLU A 438 -12.564 -2.374 1.769 1.00 10.00 O ATOM 421 OE2 GLU A 438 -12.718 -1.127 -0.035 1.00 10.00 O ATOM 0 H GLU A 438 -8.012 -1.958 -0.801 1.00 10.00 H new ATOM 0 HA GLU A 438 -9.047 0.493 0.076 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -9.875 -2.059 0.138 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.215 -1.985 1.760 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -10.872 -0.625 2.528 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -10.945 0.309 1.047 1.00 10.00 H new ATOM 428 N THR A 439 -6.508 -0.607 1.772 1.00 10.00 N ATOM 429 CA THR A 439 -5.607 -0.265 2.869 1.00 10.00 C ATOM 430 C THR A 439 -4.533 0.733 2.429 1.00 10.00 C ATOM 431 O THR A 439 -4.266 1.709 3.129 1.00 10.00 O ATOM 432 CB THR A 439 -4.988 -1.536 3.479 1.00 10.00 C ATOM 433 OG1 THR A 439 -4.807 -1.378 4.874 1.00 10.00 O ATOM 434 CG2 THR A 439 -3.646 -1.940 2.893 1.00 10.00 C ATOM 0 H THR A 439 -6.168 -1.338 1.147 1.00 10.00 H new ATOM 0 HA THR A 439 -6.194 0.227 3.644 1.00 10.00 H new ATOM 0 HB THR A 439 -5.703 -2.323 3.240 1.00 10.00 H new ATOM 0 HG1 THR A 439 -5.660 -1.528 5.334 1.00 10.00 H new ATOM 0 HG21 THR A 439 -3.291 -2.845 3.386 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.757 -2.128 1.825 1.00 10.00 H new ATOM 0 HG23 THR A 439 -2.925 -1.137 3.047 1.00 10.00 H new ATOM 442 N PHE A 440 -3.921 0.494 1.272 1.00 10.00 N ATOM 443 CA PHE A 440 -2.890 1.381 0.763 1.00 10.00 C ATOM 444 C PHE A 440 -3.513 2.610 0.113 1.00 10.00 C ATOM 445 O PHE A 440 -2.924 3.691 0.123 1.00 10.00 O ATOM 446 CB PHE A 440 -1.997 0.659 -0.252 1.00 10.00 C ATOM 447 CG PHE A 440 -2.397 -0.748 -0.546 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.124 -1.781 0.334 1.00 10.00 C ATOM 449 CD2 PHE A 440 -3.051 -1.032 -1.718 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.503 -3.070 0.033 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.432 -2.312 -2.021 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.157 -3.329 -1.150 1.00 10.00 C ATOM 0 H PHE A 440 -4.124 -0.306 0.673 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.277 1.696 1.607 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -1.999 1.225 -1.184 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -0.973 0.661 0.120 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -1.611 -1.575 1.262 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -3.269 -0.234 -2.412 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.288 -3.874 0.722 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.949 -2.518 -2.947 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.454 -4.339 -1.391 1.00 10.00 H new ATOM 462 N ARG A 441 -4.707 2.445 -0.451 1.00 10.00 N ATOM 463 CA ARG A 441 -5.391 3.555 -1.096 1.00 10.00 C ATOM 464 C ARG A 441 -6.124 4.403 -0.062 1.00 10.00 C ATOM 465 O ARG A 441 -6.402 5.578 -0.298 1.00 10.00 O ATOM 466 CB ARG A 441 -6.375 3.057 -2.157 1.00 10.00 C ATOM 467 CG ARG A 441 -6.663 4.079 -3.245 1.00 10.00 C ATOM 468 CD ARG A 441 -7.939 4.854 -2.958 1.00 10.00 C ATOM 469 NE ARG A 441 -9.130 4.021 -3.104 1.00 10.00 N ATOM 470 CZ ARG A 441 -10.360 4.506 -3.257 1.00 10.00 C ATOM 471 NH1 ARG A 441 -10.565 5.817 -3.283 1.00 10.00 N ATOM 472 NH2 ARG A 441 -11.388 3.679 -3.383 1.00 10.00 N ATOM 0 H ARG A 441 -5.215 1.561 -0.473 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.638 4.169 -1.590 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.975 2.153 -2.616 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.311 2.781 -1.672 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -5.826 4.772 -3.326 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -6.752 3.573 -4.206 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -7.899 5.255 -1.945 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -8.006 5.705 -3.636 1.00 10.00 H new ATOM 0 HE ARG A 441 -9.012 3.008 -3.088 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -9.778 6.458 -3.185 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -11.510 6.183 -3.401 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -11.237 2.670 -3.363 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -12.330 4.051 -3.500 1.00 10.00 H new ATOM 486 N GLU A 442 -6.432 3.804 1.091 1.00 10.00 N ATOM 487 CA GLU A 442 -7.127 4.519 2.152 1.00 10.00 C ATOM 488 C GLU A 442 -6.154 5.349 2.968 1.00 10.00 C ATOM 489 O GLU A 442 -6.456 6.481 3.342 1.00 10.00 O ATOM 490 CB GLU A 442 -7.864 3.549 3.075 1.00 10.00 C ATOM 491 CG GLU A 442 -9.333 3.377 2.727 1.00 10.00 C ATOM 492 CD GLU A 442 -10.024 2.353 3.605 1.00 10.00 C ATOM 493 OE1 GLU A 442 -9.553 2.130 4.741 1.00 10.00 O ATOM 494 OE2 GLU A 442 -11.037 1.774 3.158 1.00 10.00 O ATOM 0 H GLU A 442 -6.211 2.832 1.308 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.854 5.180 1.680 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -7.373 2.577 3.033 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -7.782 3.904 4.102 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -9.841 4.336 2.826 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -9.422 3.075 1.684 1.00 10.00 H new ATOM 501 N LYS A 443 -4.985 4.784 3.242 1.00 10.00 N ATOM 502 CA LYS A 443 -3.980 5.487 4.017 1.00 10.00 C ATOM 503 C LYS A 443 -3.346 6.584 3.181 1.00 10.00 C ATOM 504 O LYS A 443 -3.147 7.699 3.655 1.00 10.00 O ATOM 505 CB LYS A 443 -2.913 4.519 4.526 1.00 10.00 C ATOM 506 CG LYS A 443 -3.278 3.845 5.839 1.00 10.00 C ATOM 507 CD LYS A 443 -4.340 2.775 5.642 1.00 10.00 C ATOM 508 CE LYS A 443 -5.190 2.597 6.890 1.00 10.00 C ATOM 509 NZ LYS A 443 -5.789 3.883 7.342 1.00 10.00 N ATOM 0 H LYS A 443 -4.714 3.848 2.940 1.00 10.00 H new ATOM 0 HA LYS A 443 -4.466 5.941 4.880 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -2.739 3.753 3.770 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -1.975 5.060 4.653 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -2.387 3.397 6.279 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -3.640 4.593 6.544 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -4.979 3.045 4.801 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -3.862 1.829 5.388 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -5.984 1.878 6.689 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -4.578 2.181 7.690 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -6.790 3.735 7.580 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -5.281 4.227 8.182 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -5.715 4.587 6.580 1.00 10.00 H new ATOM 523 N PHE A 444 -3.053 6.278 1.921 1.00 10.00 N ATOM 524 CA PHE A 444 -2.470 7.264 1.029 1.00 10.00 C ATOM 525 C PHE A 444 -3.473 8.378 0.813 1.00 10.00 C ATOM 526 O PHE A 444 -3.106 9.539 0.628 1.00 10.00 O ATOM 527 CB PHE A 444 -2.050 6.612 -0.287 1.00 10.00 C ATOM 528 CG PHE A 444 -1.361 7.552 -1.233 1.00 10.00 C ATOM 529 CD1 PHE A 444 -2.076 8.526 -1.909 1.00 10.00 C ATOM 530 CD2 PHE A 444 0.005 7.459 -1.443 1.00 10.00 C ATOM 531 CE1 PHE A 444 -1.442 9.392 -2.779 1.00 10.00 C ATOM 532 CE2 PHE A 444 0.645 8.322 -2.312 1.00 10.00 C ATOM 533 CZ PHE A 444 -0.079 9.289 -2.981 1.00 10.00 C ATOM 0 H PHE A 444 -3.209 5.362 1.501 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.569 7.687 1.474 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.385 5.775 -0.072 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -2.933 6.200 -0.776 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -3.142 8.610 -1.754 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.576 6.704 -0.922 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -2.011 10.148 -3.300 1.00 10.00 H new ATOM 0 HE2 PHE A 444 1.711 8.240 -2.468 1.00 10.00 H new ATOM 0 HZ PHE A 444 0.419 9.964 -3.661 1.00 10.00 H new ATOM 543 N MET A 445 -4.749 8.021 0.908 1.00 10.00 N ATOM 544 CA MET A 445 -5.811 8.995 0.797 1.00 10.00 C ATOM 545 C MET A 445 -5.939 9.703 2.143 1.00 10.00 C ATOM 546 O MET A 445 -6.299 10.878 2.223 1.00 10.00 O ATOM 547 CB MET A 445 -7.132 8.324 0.415 1.00 10.00 C ATOM 548 CG MET A 445 -8.287 9.300 0.253 1.00 10.00 C ATOM 549 SD MET A 445 -7.937 10.596 -0.950 1.00 10.00 S ATOM 550 CE MET A 445 -9.407 10.518 -1.968 1.00 10.00 C ATOM 0 H MET A 445 -5.066 7.064 1.061 1.00 10.00 H new ATOM 0 HA MET A 445 -5.576 9.713 0.012 1.00 10.00 H new ATOM 0 HB2 MET A 445 -6.996 7.778 -0.518 1.00 10.00 H new ATOM 0 HB3 MET A 445 -7.391 7.591 1.179 1.00 10.00 H new ATOM 0 HG2 MET A 445 -9.178 8.754 -0.056 1.00 10.00 H new ATOM 0 HG3 MET A 445 -8.511 9.756 1.218 1.00 10.00 H new ATOM 0 HE1 MET A 445 -9.340 11.263 -2.761 1.00 10.00 H new ATOM 0 HE2 MET A 445 -9.492 9.525 -2.409 1.00 10.00 H new ATOM 0 HE3 MET A 445 -10.285 10.718 -1.355 1.00 10.00 H new ATOM 560 N GLN A 446 -5.598 8.958 3.196 1.00 10.00 N ATOM 561 CA GLN A 446 -5.617 9.458 4.563 1.00 10.00 C ATOM 562 C GLN A 446 -4.480 10.445 4.767 1.00 10.00 C ATOM 563 O GLN A 446 -4.611 11.441 5.480 1.00 10.00 O ATOM 564 CB GLN A 446 -5.435 8.289 5.538 1.00 10.00 C ATOM 565 CG GLN A 446 -5.935 8.580 6.942 1.00 10.00 C ATOM 566 CD GLN A 446 -7.437 8.785 6.996 1.00 10.00 C ATOM 567 OE1 GLN A 446 -7.922 9.753 7.583 1.00 10.00 O ATOM 568 NE2 GLN A 446 -8.185 7.872 6.382 1.00 10.00 N ATOM 0 H GLN A 446 -5.300 7.986 3.119 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.571 9.953 4.746 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -5.961 7.417 5.148 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.378 8.028 5.585 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -5.661 7.755 7.599 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -5.437 9.471 7.324 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -7.742 7.085 5.907 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -9.201 7.959 6.386 1.00 10.00 H new ATOM 577 N HIS A 447 -3.356 10.130 4.142 1.00 10.00 N ATOM 578 CA HIS A 447 -2.156 10.936 4.238 1.00 10.00 C ATOM 579 C HIS A 447 -1.855 11.613 2.899 1.00 10.00 C ATOM 580 O HIS A 447 -1.302 10.991 1.991 1.00 10.00 O ATOM 581 CB HIS A 447 -0.996 10.038 4.676 1.00 10.00 C ATOM 582 CG HIS A 447 -1.369 9.119 5.805 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.561 9.566 7.094 1.00 10.00 N ATOM 584 CD2 HIS A 447 -1.620 7.780 5.834 1.00 10.00 C ATOM 585 CE1 HIS A 447 -1.913 8.552 7.864 1.00 10.00 C ATOM 586 NE2 HIS A 447 -1.958 7.460 7.125 1.00 10.00 N ATOM 0 H HIS A 447 -3.253 9.304 3.552 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.298 11.725 4.976 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.660 9.445 3.826 1.00 10.00 H new ATOM 0 HB3 HIS A 447 -0.155 10.661 4.982 1.00 10.00 H new ATOM 0 HD1 HIS A 447 -1.449 10.531 7.406 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.564 7.099 4.998 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -2.128 8.608 8.921 1.00 10.00 H new ATOM 595 N PRO A 448 -2.232 12.899 2.757 1.00 10.00 N ATOM 596 CA PRO A 448 -2.023 13.667 1.526 1.00 10.00 C ATOM 597 C PRO A 448 -0.685 13.380 0.852 1.00 10.00 C ATOM 598 O PRO A 448 0.352 13.899 1.265 1.00 10.00 O ATOM 599 CB PRO A 448 -2.076 15.108 2.022 1.00 10.00 C ATOM 600 CG PRO A 448 -3.040 15.074 3.158 1.00 10.00 C ATOM 601 CD PRO A 448 -2.911 13.709 3.790 1.00 10.00 C ATOM 0 HA PRO A 448 -2.761 13.421 0.763 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -1.094 15.454 2.345 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -2.411 15.786 1.237 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -2.816 15.859 3.881 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -4.058 15.245 2.808 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -2.330 13.749 4.711 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -3.886 13.294 4.046 1.00 10.00 H new ATOM 609 N LYS A 449 -0.727 12.555 -0.197 1.00 10.00 N ATOM 610 CA LYS A 449 0.466 12.184 -0.964 1.00 10.00 C ATOM 611 C LYS A 449 1.710 12.092 -0.083 1.00 10.00 C ATOM 612 O LYS A 449 2.391 13.089 0.156 1.00 10.00 O ATOM 613 CB LYS A 449 0.701 13.181 -2.103 1.00 10.00 C ATOM 614 CG LYS A 449 1.006 14.597 -1.636 1.00 10.00 C ATOM 615 CD LYS A 449 0.720 15.615 -2.727 1.00 10.00 C ATOM 616 CE LYS A 449 1.270 16.986 -2.367 1.00 10.00 C ATOM 617 NZ LYS A 449 0.555 17.584 -1.207 1.00 10.00 N ATOM 0 H LYS A 449 -1.587 12.126 -0.539 1.00 10.00 H new ATOM 0 HA LYS A 449 0.285 11.194 -1.382 1.00 10.00 H new ATOM 0 HB2 LYS A 449 1.529 12.826 -2.717 1.00 10.00 H new ATOM 0 HB3 LYS A 449 -0.183 13.203 -2.741 1.00 10.00 H new ATOM 0 HG2 LYS A 449 0.407 14.828 -0.755 1.00 10.00 H new ATOM 0 HG3 LYS A 449 2.052 14.666 -1.337 1.00 10.00 H new ATOM 0 HD2 LYS A 449 1.162 15.279 -3.665 1.00 10.00 H new ATOM 0 HD3 LYS A 449 -0.356 15.684 -2.889 1.00 10.00 H new ATOM 0 HE2 LYS A 449 2.332 16.902 -2.135 1.00 10.00 H new ATOM 0 HE3 LYS A 449 1.184 17.649 -3.228 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 0.960 18.518 -0.994 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 -0.454 17.688 -1.437 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 0.659 16.964 -0.378 1.00 10.00 H new ATOM 631 N ASN A 450 2.002 10.888 0.397 1.00 10.00 N ATOM 632 CA ASN A 450 3.165 10.672 1.247 1.00 10.00 C ATOM 633 C ASN A 450 3.923 9.419 0.833 1.00 10.00 C ATOM 634 O ASN A 450 5.124 9.467 0.565 1.00 10.00 O ATOM 635 CB ASN A 450 2.744 10.568 2.719 1.00 10.00 C ATOM 636 CG ASN A 450 1.592 9.605 2.931 1.00 10.00 C ATOM 637 OD1 ASN A 450 0.690 9.507 2.099 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.615 8.884 4.048 1.00 10.00 N ATOM 0 H ASN A 450 1.451 10.050 0.212 1.00 10.00 H new ATOM 0 HA ASN A 450 3.828 11.529 1.127 1.00 10.00 H new ATOM 0 HB2 ASN A 450 3.597 10.244 3.315 1.00 10.00 H new ATOM 0 HB3 ASN A 450 2.458 11.555 3.082 1.00 10.00 H new ATOM 0 HD21 ASN A 450 0.866 8.219 4.241 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.382 8.996 4.712 1.00 10.00 H new ATOM 645 N PHE A 451 3.218 8.293 0.797 1.00 10.00 N ATOM 646 CA PHE A 451 3.824 7.016 0.430 1.00 10.00 C ATOM 647 C PHE A 451 4.810 6.544 1.503 1.00 10.00 C ATOM 648 O PHE A 451 5.369 5.453 1.401 1.00 10.00 O ATOM 649 CB PHE A 451 4.532 7.127 -0.930 1.00 10.00 C ATOM 650 CG PHE A 451 3.832 6.440 -2.081 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.625 5.775 -1.906 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.392 6.469 -3.349 1.00 10.00 C ATOM 653 CE1 PHE A 451 1.996 5.156 -2.968 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.767 5.849 -4.415 1.00 10.00 C ATOM 655 CZ PHE A 451 2.568 5.193 -4.224 1.00 10.00 C ATOM 0 H PHE A 451 2.224 8.238 1.018 1.00 10.00 H new ATOM 0 HA PHE A 451 3.026 6.277 0.352 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.649 8.183 -1.175 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.534 6.709 -0.834 1.00 10.00 H new ATOM 0 HD1 PHE A 451 2.172 5.742 -0.926 1.00 10.00 H new ATOM 0 HD2 PHE A 451 5.329 6.983 -3.506 1.00 10.00 H new ATOM 0 HE1 PHE A 451 1.058 4.643 -2.816 1.00 10.00 H new ATOM 0 HE2 PHE A 451 4.217 5.878 -5.396 1.00 10.00 H new ATOM 0 HZ PHE A 451 2.078 4.709 -5.056 1.00 10.00 H new ATOM 665 N GLY A 452 5.008 7.363 2.536 1.00 10.00 N ATOM 666 CA GLY A 452 5.910 7.000 3.609 1.00 10.00 C ATOM 667 C GLY A 452 5.205 6.215 4.692 1.00 10.00 C ATOM 668 O GLY A 452 5.696 5.176 5.134 1.00 10.00 O ATOM 0 H GLY A 452 4.557 8.271 2.645 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.733 6.408 3.208 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.346 7.902 4.039 1.00 10.00 H new ATOM 672 N LEU A 453 4.040 6.703 5.113 1.00 10.00 N ATOM 673 CA LEU A 453 3.268 6.020 6.142 1.00 10.00 C ATOM 674 C LEU A 453 2.788 4.677 5.627 1.00 10.00 C ATOM 675 O LEU A 453 3.019 3.642 6.251 1.00 10.00 O ATOM 676 CB LEU A 453 2.070 6.854 6.588 1.00 10.00 C ATOM 677 CG LEU A 453 1.133 6.136 7.561 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.523 7.119 8.544 1.00 10.00 C ATOM 679 CD2 LEU A 453 0.051 5.376 6.799 1.00 10.00 C ATOM 0 H LEU A 453 3.615 7.561 4.760 1.00 10.00 H new ATOM 0 HA LEU A 453 3.920 5.872 7.003 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.433 7.768 7.058 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.501 7.153 5.707 1.00 10.00 H new ATOM 0 HG LEU A 453 1.716 5.413 8.131 1.00 10.00 H new ATOM 0 HD11 LEU A 453 -0.140 6.587 9.226 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.316 7.604 9.113 1.00 10.00 H new ATOM 0 HD13 LEU A 453 -0.046 7.873 7.999 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.606 4.871 7.507 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.531 6.076 6.199 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.516 4.638 6.146 1.00 10.00 H new ATOM 691 N ILE A 454 2.129 4.695 4.473 1.00 10.00 N ATOM 692 CA ILE A 454 1.634 3.472 3.870 1.00 10.00 C ATOM 693 C ILE A 454 2.764 2.465 3.755 1.00 10.00 C ATOM 694 O ILE A 454 2.657 1.334 4.226 1.00 10.00 O ATOM 695 CB ILE A 454 1.014 3.755 2.489 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.352 4.377 2.687 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.918 2.494 1.643 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.316 5.883 2.576 1.00 10.00 C ATOM 0 H ILE A 454 1.928 5.542 3.941 1.00 10.00 H new ATOM 0 HA ILE A 454 0.853 3.056 4.507 1.00 10.00 H new ATOM 0 HB ILE A 454 1.660 4.446 1.948 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.043 3.976 1.945 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -0.739 4.096 3.667 1.00 10.00 H new ATOM 0 HG21 ILE A 454 0.475 2.737 0.677 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.915 2.081 1.492 1.00 10.00 H new ATOM 0 HG23 ILE A 454 0.295 1.760 2.153 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.319 6.283 2.725 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.353 6.288 3.335 1.00 10.00 H new ATOM 0 HD13 ILE A 454 0.044 6.166 1.587 1.00 10.00 H new ATOM 710 N ALA A 455 3.864 2.911 3.170 1.00 10.00 N ATOM 711 CA ALA A 455 5.050 2.077 3.023 1.00 10.00 C ATOM 712 C ALA A 455 5.550 1.606 4.388 1.00 10.00 C ATOM 713 O ALA A 455 6.444 0.762 4.474 1.00 10.00 O ATOM 714 CB ALA A 455 6.144 2.841 2.294 1.00 10.00 C ATOM 0 H ALA A 455 3.962 3.851 2.787 1.00 10.00 H new ATOM 0 HA ALA A 455 4.783 1.200 2.434 1.00 10.00 H new ATOM 0 HB1 ALA A 455 7.024 2.206 2.191 1.00 10.00 H new ATOM 0 HB2 ALA A 455 5.788 3.131 1.305 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.405 3.734 2.862 1.00 10.00 H new ATOM 720 N SER A 456 4.967 2.155 5.454 1.00 10.00 N ATOM 721 CA SER A 456 5.353 1.792 6.810 1.00 10.00 C ATOM 722 C SER A 456 4.476 0.664 7.344 1.00 10.00 C ATOM 723 O SER A 456 4.962 -0.237 8.026 1.00 10.00 O ATOM 724 CB SER A 456 5.256 3.008 7.733 1.00 10.00 C ATOM 725 OG SER A 456 6.167 2.902 8.813 1.00 10.00 O ATOM 0 H SER A 456 4.225 2.853 5.400 1.00 10.00 H new ATOM 0 HA SER A 456 6.386 1.444 6.785 1.00 10.00 H new ATOM 0 HB2 SER A 456 5.463 3.916 7.166 1.00 10.00 H new ATOM 0 HB3 SER A 456 4.240 3.097 8.117 1.00 10.00 H new ATOM 0 HG SER A 456 6.087 3.692 9.387 1.00 10.00 H new ATOM 731 N PHE A 457 3.181 0.714 7.033 1.00 10.00 N ATOM 732 CA PHE A 457 2.259 -0.317 7.494 1.00 10.00 C ATOM 733 C PHE A 457 2.251 -1.515 6.542 1.00 10.00 C ATOM 734 O PHE A 457 1.867 -2.618 6.926 1.00 10.00 O ATOM 735 CB PHE A 457 0.848 0.262 7.689 1.00 10.00 C ATOM 736 CG PHE A 457 -0.005 0.292 6.451 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.587 -0.871 5.965 1.00 10.00 C ATOM 738 CD2 PHE A 457 -0.240 1.486 5.780 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.378 -0.847 4.841 1.00 10.00 C ATOM 740 CE2 PHE A 457 -1.035 1.512 4.655 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.603 0.349 4.184 1.00 10.00 C ATOM 0 H PHE A 457 2.753 1.449 6.470 1.00 10.00 H new ATOM 0 HA PHE A 457 2.606 -0.676 8.463 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.334 -0.323 8.452 1.00 10.00 H new ATOM 0 HB3 PHE A 457 0.939 1.278 8.074 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.416 -1.807 6.477 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.204 2.401 6.143 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.822 -1.760 4.472 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -1.213 2.445 4.142 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.225 0.371 3.301 1.00 10.00 H new ATOM 751 N LEU A 458 2.705 -1.298 5.307 1.00 10.00 N ATOM 752 CA LEU A 458 2.775 -2.370 4.317 1.00 10.00 C ATOM 753 C LEU A 458 4.176 -2.435 3.709 1.00 10.00 C ATOM 754 O LEU A 458 4.344 -2.388 2.494 1.00 10.00 O ATOM 755 CB LEU A 458 1.721 -2.177 3.217 1.00 10.00 C ATOM 756 CG LEU A 458 1.538 -0.742 2.714 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.849 -0.191 2.177 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.459 -0.684 1.642 1.00 10.00 C ATOM 0 H LEU A 458 3.029 -0.391 4.970 1.00 10.00 H new ATOM 0 HA LEU A 458 2.565 -3.313 4.821 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.988 -2.808 2.369 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.762 -2.536 3.592 1.00 10.00 H new ATOM 0 HG LEU A 458 1.223 -0.124 3.555 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.698 0.829 1.825 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.597 -0.194 2.970 1.00 10.00 H new ATOM 0 HD13 LEU A 458 3.194 -0.813 1.351 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.344 0.344 1.297 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.745 -1.318 0.803 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.486 -1.036 2.057 1.00 10.00 H new ATOM 770 N GLU A 459 5.178 -2.528 4.583 1.00 10.00 N ATOM 771 CA GLU A 459 6.587 -2.584 4.180 1.00 10.00 C ATOM 772 C GLU A 459 6.800 -3.343 2.867 1.00 10.00 C ATOM 773 O GLU A 459 7.599 -2.928 2.028 1.00 10.00 O ATOM 774 CB GLU A 459 7.422 -3.232 5.286 1.00 10.00 C ATOM 775 CG GLU A 459 7.730 -2.296 6.443 1.00 10.00 C ATOM 776 CD GLU A 459 8.590 -2.948 7.507 1.00 10.00 C ATOM 777 OE1 GLU A 459 8.375 -4.145 7.792 1.00 10.00 O ATOM 778 OE2 GLU A 459 9.479 -2.263 8.055 1.00 10.00 O ATOM 0 H GLU A 459 5.038 -2.567 5.593 1.00 10.00 H new ATOM 0 HA GLU A 459 6.909 -1.556 4.016 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.891 -4.104 5.667 1.00 10.00 H new ATOM 0 HB3 GLU A 459 8.359 -3.590 4.860 1.00 10.00 H new ATOM 0 HG2 GLU A 459 8.238 -1.410 6.063 1.00 10.00 H new ATOM 0 HG3 GLU A 459 6.796 -1.960 6.892 1.00 10.00 H new ATOM 785 N ARG A 460 6.091 -4.456 2.694 1.00 10.00 N ATOM 786 CA ARG A 460 6.220 -5.261 1.481 1.00 10.00 C ATOM 787 C ARG A 460 6.131 -4.390 0.229 1.00 10.00 C ATOM 788 O ARG A 460 6.695 -4.724 -0.813 1.00 10.00 O ATOM 789 CB ARG A 460 5.141 -6.346 1.444 1.00 10.00 C ATOM 790 CG ARG A 460 5.496 -7.584 2.251 1.00 10.00 C ATOM 791 CD ARG A 460 6.411 -8.515 1.470 1.00 10.00 C ATOM 792 NE ARG A 460 7.805 -8.083 1.521 1.00 10.00 N ATOM 793 CZ ARG A 460 8.755 -8.549 0.715 1.00 10.00 C ATOM 794 NH1 ARG A 460 8.466 -9.460 -0.207 1.00 10.00 N ATOM 795 NH2 ARG A 460 9.999 -8.102 0.828 1.00 10.00 N ATOM 0 H ARG A 460 5.424 -4.820 3.375 1.00 10.00 H new ATOM 0 HA ARG A 460 7.201 -5.736 1.497 1.00 10.00 H new ATOM 0 HB2 ARG A 460 4.207 -5.931 1.823 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.964 -6.636 0.408 1.00 10.00 H new ATOM 0 HG2 ARG A 460 5.984 -7.287 3.179 1.00 10.00 H new ATOM 0 HG3 ARG A 460 4.584 -8.114 2.526 1.00 10.00 H new ATOM 0 HD2 ARG A 460 6.330 -9.525 1.872 1.00 10.00 H new ATOM 0 HD3 ARG A 460 6.083 -8.558 0.431 1.00 10.00 H new ATOM 0 HE ARG A 460 8.065 -7.383 2.215 1.00 10.00 H new ATOM 0 HH11 ARG A 460 7.511 -9.806 -0.300 1.00 10.00 H new ATOM 0 HH12 ARG A 460 9.199 -9.813 -0.822 1.00 10.00 H new ATOM 0 HH21 ARG A 460 10.227 -7.401 1.533 1.00 10.00 H new ATOM 0 HH22 ARG A 460 10.727 -8.459 0.210 1.00 10.00 H new ATOM 809 N LYS A 461 5.421 -3.272 0.342 1.00 10.00 N ATOM 810 CA LYS A 461 5.261 -2.347 -0.776 1.00 10.00 C ATOM 811 C LYS A 461 5.751 -0.955 -0.394 1.00 10.00 C ATOM 812 O LYS A 461 4.954 -0.055 -0.127 1.00 10.00 O ATOM 813 CB LYS A 461 3.795 -2.281 -1.226 1.00 10.00 C ATOM 814 CG LYS A 461 2.796 -2.834 -0.212 1.00 10.00 C ATOM 815 CD LYS A 461 2.809 -4.357 -0.149 1.00 10.00 C ATOM 816 CE LYS A 461 2.887 -4.988 -1.529 1.00 10.00 C ATOM 817 NZ LYS A 461 1.877 -4.413 -2.462 1.00 10.00 N ATOM 0 H LYS A 461 4.946 -2.984 1.198 1.00 10.00 H new ATOM 0 HA LYS A 461 5.863 -2.717 -1.606 1.00 10.00 H new ATOM 0 HB2 LYS A 461 3.540 -1.243 -1.439 1.00 10.00 H new ATOM 0 HB3 LYS A 461 3.689 -2.834 -2.160 1.00 10.00 H new ATOM 0 HG2 LYS A 461 3.024 -2.431 0.775 1.00 10.00 H new ATOM 0 HG3 LYS A 461 1.794 -2.493 -0.471 1.00 10.00 H new ATOM 0 HD2 LYS A 461 3.659 -4.687 0.448 1.00 10.00 H new ATOM 0 HD3 LYS A 461 1.909 -4.706 0.358 1.00 10.00 H new ATOM 0 HE2 LYS A 461 3.886 -4.840 -1.940 1.00 10.00 H new ATOM 0 HE3 LYS A 461 2.733 -6.064 -1.445 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 1.298 -5.179 -2.862 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 1.265 -3.750 -1.945 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 2.362 -3.909 -3.231 1.00 10.00 H new ATOM 831 N THR A 462 7.069 -0.784 -0.369 1.00 10.00 N ATOM 832 CA THR A 462 7.672 0.498 -0.018 1.00 10.00 C ATOM 833 C THR A 462 7.177 1.605 -0.942 1.00 10.00 C ATOM 834 O THR A 462 6.368 1.365 -1.838 1.00 10.00 O ATOM 835 CB THR A 462 9.197 0.404 -0.088 1.00 10.00 C ATOM 836 OG1 THR A 462 9.611 -0.089 -1.350 1.00 10.00 O ATOM 837 CG2 THR A 462 9.790 -0.496 0.975 1.00 10.00 C ATOM 0 H THR A 462 7.742 -1.519 -0.588 1.00 10.00 H new ATOM 0 HA THR A 462 7.376 0.742 1.002 1.00 10.00 H new ATOM 0 HB THR A 462 9.558 1.419 0.077 1.00 10.00 H new ATOM 0 HG1 THR A 462 10.589 -0.140 -1.376 1.00 10.00 H new ATOM 0 HG21 THR A 462 10.875 -0.518 0.869 1.00 10.00 H new ATOM 0 HG22 THR A 462 9.530 -0.114 1.962 1.00 10.00 H new ATOM 0 HG23 THR A 462 9.393 -1.505 0.860 1.00 10.00 H new ATOM 845 N VAL A 463 7.669 2.822 -0.720 1.00 10.00 N ATOM 846 CA VAL A 463 7.278 3.969 -1.533 1.00 10.00 C ATOM 847 C VAL A 463 7.477 3.680 -3.019 1.00 10.00 C ATOM 848 O VAL A 463 6.526 3.715 -3.800 1.00 10.00 O ATOM 849 CB VAL A 463 8.078 5.231 -1.145 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.689 6.414 -2.023 1.00 10.00 C ATOM 851 CG2 VAL A 463 7.874 5.559 0.327 1.00 10.00 C ATOM 0 H VAL A 463 8.340 3.038 0.017 1.00 10.00 H new ATOM 0 HA VAL A 463 6.220 4.151 -1.343 1.00 10.00 H new ATOM 0 HB VAL A 463 9.136 5.028 -1.308 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.267 7.290 -1.729 1.00 10.00 H new ATOM 0 HG12 VAL A 463 7.896 6.176 -3.066 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.626 6.623 -1.902 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.445 6.451 0.583 1.00 10.00 H new ATOM 0 HG22 VAL A 463 6.816 5.739 0.516 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.215 4.722 0.937 1.00 10.00 H new ATOM 861 N ALA A 464 8.715 3.390 -3.402 1.00 10.00 N ATOM 862 CA ALA A 464 9.032 3.090 -4.792 1.00 10.00 C ATOM 863 C ALA A 464 8.316 1.825 -5.251 1.00 10.00 C ATOM 864 O ALA A 464 8.054 1.645 -6.441 1.00 10.00 O ATOM 865 CB ALA A 464 10.536 2.946 -4.973 1.00 10.00 C ATOM 0 H ALA A 464 9.515 3.356 -2.770 1.00 10.00 H new ATOM 0 HA ALA A 464 8.685 3.919 -5.408 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.757 2.722 -6.017 1.00 10.00 H new ATOM 0 HB2 ALA A 464 11.027 3.877 -4.690 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.902 2.136 -4.343 1.00 10.00 H new ATOM 871 N GLU A 465 8.002 0.952 -4.300 1.00 10.00 N ATOM 872 CA GLU A 465 7.314 -0.298 -4.605 1.00 10.00 C ATOM 873 C GLU A 465 5.796 -0.115 -4.593 1.00 10.00 C ATOM 874 O GLU A 465 5.053 -1.027 -4.952 1.00 10.00 O ATOM 875 CB GLU A 465 7.714 -1.380 -3.602 1.00 10.00 C ATOM 876 CG GLU A 465 7.408 -2.792 -4.076 1.00 10.00 C ATOM 877 CD GLU A 465 8.578 -3.430 -4.800 1.00 10.00 C ATOM 878 OE1 GLU A 465 9.703 -3.393 -4.257 1.00 10.00 O ATOM 879 OE2 GLU A 465 8.370 -3.968 -5.908 1.00 10.00 O ATOM 0 H GLU A 465 8.213 1.087 -3.311 1.00 10.00 H new ATOM 0 HA GLU A 465 7.612 -0.606 -5.607 1.00 10.00 H new ATOM 0 HB2 GLU A 465 8.782 -1.298 -3.398 1.00 10.00 H new ATOM 0 HB3 GLU A 465 7.195 -1.201 -2.661 1.00 10.00 H new ATOM 0 HG2 GLU A 465 7.136 -3.408 -3.219 1.00 10.00 H new ATOM 0 HG3 GLU A 465 6.543 -2.769 -4.739 1.00 10.00 H new ATOM 886 N CYS A 466 5.338 1.067 -4.183 1.00 10.00 N ATOM 887 CA CYS A 466 3.910 1.352 -4.134 1.00 10.00 C ATOM 888 C CYS A 466 3.443 2.018 -5.422 1.00 10.00 C ATOM 889 O CYS A 466 2.254 2.001 -5.744 1.00 10.00 O ATOM 890 CB CYS A 466 3.580 2.237 -2.930 1.00 10.00 C ATOM 891 SG CYS A 466 1.886 2.056 -2.324 1.00 10.00 S ATOM 0 H CYS A 466 5.934 1.838 -3.882 1.00 10.00 H new ATOM 0 HA CYS A 466 3.381 0.405 -4.027 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.271 2.003 -2.120 1.00 10.00 H new ATOM 0 HB3 CYS A 466 3.748 3.279 -3.202 1.00 10.00 H new ATOM 0 HG CYS A 466 1.408 3.225 -2.016 1.00 10.00 H new ATOM 897 N VAL A 467 4.384 2.585 -6.171 1.00 10.00 N ATOM 898 CA VAL A 467 4.061 3.231 -7.434 1.00 10.00 C ATOM 899 C VAL A 467 3.424 2.233 -8.400 1.00 10.00 C ATOM 900 O VAL A 467 2.816 2.618 -9.396 1.00 10.00 O ATOM 901 CB VAL A 467 5.315 3.846 -8.089 1.00 10.00 C ATOM 902 CG1 VAL A 467 4.970 4.481 -9.430 1.00 10.00 C ATOM 903 CG2 VAL A 467 5.955 4.865 -7.159 1.00 10.00 C ATOM 0 H VAL A 467 5.373 2.609 -5.924 1.00 10.00 H new ATOM 0 HA VAL A 467 3.353 4.031 -7.218 1.00 10.00 H new ATOM 0 HB VAL A 467 6.033 3.047 -8.270 1.00 10.00 H new ATOM 0 HG11 VAL A 467 5.870 4.908 -9.873 1.00 10.00 H new ATOM 0 HG12 VAL A 467 4.562 3.722 -10.098 1.00 10.00 H new ATOM 0 HG13 VAL A 467 4.231 5.268 -9.280 1.00 10.00 H new ATOM 0 HG21 VAL A 467 6.838 5.289 -7.637 1.00 10.00 H new ATOM 0 HG22 VAL A 467 5.241 5.660 -6.944 1.00 10.00 H new ATOM 0 HG23 VAL A 467 6.245 4.377 -6.229 1.00 10.00 H new ATOM 913 N LEU A 468 3.571 0.945 -8.096 1.00 10.00 N ATOM 914 CA LEU A 468 3.012 -0.106 -8.934 1.00 10.00 C ATOM 915 C LEU A 468 1.507 -0.263 -8.710 1.00 10.00 C ATOM 916 O LEU A 468 0.869 -1.101 -9.344 1.00 10.00 O ATOM 917 CB LEU A 468 3.729 -1.430 -8.662 1.00 10.00 C ATOM 918 CG LEU A 468 4.399 -2.066 -9.880 1.00 10.00 C ATOM 919 CD1 LEU A 468 5.539 -1.192 -10.379 1.00 10.00 C ATOM 920 CD2 LEU A 468 4.902 -3.462 -9.543 1.00 10.00 C ATOM 0 H LEU A 468 4.073 0.607 -7.275 1.00 10.00 H new ATOM 0 HA LEU A 468 3.164 0.179 -9.975 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.486 -1.265 -7.895 1.00 10.00 H new ATOM 0 HB3 LEU A 468 3.009 -2.138 -8.252 1.00 10.00 H new ATOM 0 HG LEU A 468 3.659 -2.151 -10.676 1.00 10.00 H new ATOM 0 HD11 LEU A 468 6.004 -1.661 -11.246 1.00 10.00 H new ATOM 0 HD12 LEU A 468 5.151 -0.213 -10.660 1.00 10.00 H new ATOM 0 HD13 LEU A 468 6.281 -1.075 -9.589 1.00 10.00 H new ATOM 0 HD21 LEU A 468 5.376 -3.900 -10.421 1.00 10.00 H new ATOM 0 HD22 LEU A 468 5.627 -3.401 -8.732 1.00 10.00 H new ATOM 0 HD23 LEU A 468 4.063 -4.086 -9.234 1.00 10.00 H new ATOM 932 N TYR A 469 0.947 0.546 -7.811 1.00 10.00 N ATOM 933 CA TYR A 469 -0.480 0.501 -7.513 1.00 10.00 C ATOM 934 C TYR A 469 -1.157 1.830 -7.860 1.00 10.00 C ATOM 935 O TYR A 469 -2.383 1.920 -7.881 1.00 10.00 O ATOM 936 CB TYR A 469 -0.702 0.133 -6.034 1.00 10.00 C ATOM 937 CG TYR A 469 -1.314 1.200 -5.151 1.00 10.00 C ATOM 938 CD1 TYR A 469 -0.850 2.504 -5.187 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.351 0.893 -4.270 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.395 3.480 -4.378 1.00 10.00 C ATOM 941 CE2 TYR A 469 -2.901 1.864 -3.458 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.419 3.157 -3.517 1.00 10.00 C ATOM 943 OH TYR A 469 -2.960 4.129 -2.710 1.00 10.00 O ATOM 0 H TYR A 469 1.465 1.243 -7.275 1.00 10.00 H new ATOM 0 HA TYR A 469 -0.938 -0.270 -8.132 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.342 -0.749 -5.995 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.259 -0.152 -5.606 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.046 2.762 -5.861 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.728 -0.118 -4.223 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -1.020 4.492 -4.420 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.704 1.614 -2.780 1.00 10.00 H new ATOM 0 HH TYR A 469 -3.570 4.688 -3.235 1.00 10.00 H new ATOM 953 N TYR A 470 -0.350 2.865 -8.105 1.00 10.00 N ATOM 954 CA TYR A 470 -0.878 4.188 -8.416 1.00 10.00 C ATOM 955 C TYR A 470 -1.046 4.399 -9.921 1.00 10.00 C ATOM 956 O TYR A 470 -1.944 5.126 -10.347 1.00 10.00 O ATOM 957 CB TYR A 470 0.024 5.273 -7.802 1.00 10.00 C ATOM 958 CG TYR A 470 0.758 6.140 -8.806 1.00 10.00 C ATOM 959 CD1 TYR A 470 1.686 5.591 -9.681 1.00 10.00 C ATOM 960 CD2 TYR A 470 0.523 7.508 -8.875 1.00 10.00 C ATOM 961 CE1 TYR A 470 2.358 6.377 -10.596 1.00 10.00 C ATOM 962 CE2 TYR A 470 1.193 8.302 -9.787 1.00 10.00 C ATOM 963 CZ TYR A 470 2.108 7.731 -10.645 1.00 10.00 C ATOM 964 OH TYR A 470 2.778 8.519 -11.555 1.00 10.00 O ATOM 0 H TYR A 470 0.668 2.809 -8.093 1.00 10.00 H new ATOM 0 HA TYR A 470 -1.872 4.264 -7.975 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -0.587 5.916 -7.168 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.758 4.791 -7.156 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.886 4.530 -9.645 1.00 10.00 H new ATOM 0 HD2 TYR A 470 -0.195 7.958 -8.205 1.00 10.00 H new ATOM 0 HE1 TYR A 470 3.076 5.933 -11.270 1.00 10.00 H new ATOM 0 HE2 TYR A 470 1.000 9.364 -9.827 1.00 10.00 H new ATOM 0 HH TYR A 470 2.486 9.449 -11.460 1.00 10.00 H new ATOM 974 N TYR A 471 -0.190 3.775 -10.729 1.00 10.00 N ATOM 975 CA TYR A 471 -0.295 3.938 -12.175 1.00 10.00 C ATOM 976 C TYR A 471 -1.526 3.223 -12.717 1.00 10.00 C ATOM 977 O TYR A 471 -1.915 3.427 -13.866 1.00 10.00 O ATOM 978 CB TYR A 471 0.980 3.466 -12.889 1.00 10.00 C ATOM 979 CG TYR A 471 1.175 1.964 -12.941 1.00 10.00 C ATOM 980 CD1 TYR A 471 0.345 1.152 -13.711 1.00 10.00 C ATOM 981 CD2 TYR A 471 2.208 1.358 -12.236 1.00 10.00 C ATOM 982 CE1 TYR A 471 0.540 -0.214 -13.770 1.00 10.00 C ATOM 983 CE2 TYR A 471 2.410 -0.008 -12.296 1.00 10.00 C ATOM 984 CZ TYR A 471 1.572 -0.789 -13.062 1.00 10.00 C ATOM 985 OH TYR A 471 1.770 -2.149 -13.122 1.00 10.00 O ATOM 0 H TYR A 471 0.566 3.166 -10.416 1.00 10.00 H new ATOM 0 HA TYR A 471 -0.408 5.003 -12.379 1.00 10.00 H new ATOM 0 HB2 TYR A 471 0.969 3.850 -13.909 1.00 10.00 H new ATOM 0 HB3 TYR A 471 1.841 3.911 -12.391 1.00 10.00 H new ATOM 0 HD1 TYR A 471 -0.464 1.598 -14.271 1.00 10.00 H new ATOM 0 HD2 TYR A 471 2.865 1.965 -11.631 1.00 10.00 H new ATOM 0 HE1 TYR A 471 -0.115 -0.829 -14.369 1.00 10.00 H new ATOM 0 HE2 TYR A 471 3.221 -0.461 -11.745 1.00 10.00 H new ATOM 0 HH TYR A 471 2.540 -2.392 -12.566 1.00 10.00 H new ATOM 995 N LEU A 472 -2.154 2.411 -11.876 1.00 10.00 N ATOM 996 CA LEU A 472 -3.362 1.698 -12.262 1.00 10.00 C ATOM 997 C LEU A 472 -4.588 2.435 -11.735 1.00 10.00 C ATOM 998 O LEU A 472 -5.697 2.271 -12.244 1.00 10.00 O ATOM 999 CB LEU A 472 -3.331 0.269 -11.725 1.00 10.00 C ATOM 1000 CG LEU A 472 -1.956 -0.397 -11.773 1.00 10.00 C ATOM 1001 CD1 LEU A 472 -1.555 -0.899 -10.397 1.00 10.00 C ATOM 1002 CD2 LEU A 472 -1.944 -1.527 -12.790 1.00 10.00 C ATOM 0 H LEU A 472 -1.845 2.230 -10.921 1.00 10.00 H new ATOM 0 HA LEU A 472 -3.414 1.655 -13.350 1.00 10.00 H new ATOM 0 HB2 LEU A 472 -3.682 0.275 -10.693 1.00 10.00 H new ATOM 0 HB3 LEU A 472 -4.034 -0.336 -12.298 1.00 10.00 H new ATOM 0 HG LEU A 472 -1.224 0.347 -12.086 1.00 10.00 H new ATOM 0 HD11 LEU A 472 -0.573 -1.370 -10.453 1.00 10.00 H new ATOM 0 HD12 LEU A 472 -1.516 -0.061 -9.701 1.00 10.00 H new ATOM 0 HD13 LEU A 472 -2.287 -1.627 -10.048 1.00 10.00 H new ATOM 0 HD21 LEU A 472 -0.957 -1.989 -12.809 1.00 10.00 H new ATOM 0 HD22 LEU A 472 -2.688 -2.274 -12.513 1.00 10.00 H new ATOM 0 HD23 LEU A 472 -2.178 -1.130 -13.778 1.00 10.00 H new ATOM 1014 N THR A 473 -4.367 3.261 -10.713 1.00 10.00 N ATOM 1015 CA THR A 473 -5.432 4.044 -10.109 1.00 10.00 C ATOM 1016 C THR A 473 -5.796 5.228 -10.990 1.00 10.00 C ATOM 1017 O THR A 473 -6.959 5.624 -11.063 1.00 10.00 O ATOM 1018 CB THR A 473 -5.003 4.539 -8.726 1.00 10.00 C ATOM 1019 OG1 THR A 473 -3.886 5.403 -8.831 1.00 10.00 O ATOM 1020 CG2 THR A 473 -4.630 3.421 -7.774 1.00 10.00 C ATOM 0 H THR A 473 -3.451 3.402 -10.287 1.00 10.00 H new ATOM 0 HA THR A 473 -6.309 3.405 -10.005 1.00 10.00 H new ATOM 0 HB THR A 473 -5.872 5.059 -8.323 1.00 10.00 H new ATOM 0 HG1 THR A 473 -3.392 5.201 -9.653 1.00 10.00 H new ATOM 0 HG21 THR A 473 -4.336 3.844 -6.813 1.00 10.00 H new ATOM 0 HG22 THR A 473 -5.487 2.762 -7.633 1.00 10.00 H new ATOM 0 HG23 THR A 473 -3.798 2.852 -8.189 1.00 10.00 H new ATOM 1028 N LYS A 474 -4.794 5.803 -11.648 1.00 10.00 N ATOM 1029 CA LYS A 474 -5.025 6.957 -12.508 1.00 10.00 C ATOM 1030 C LYS A 474 -5.089 6.560 -13.983 1.00 10.00 C ATOM 1031 O LYS A 474 -5.261 7.415 -14.853 1.00 10.00 O ATOM 1032 CB LYS A 474 -3.934 8.006 -12.292 1.00 10.00 C ATOM 1033 CG LYS A 474 -3.530 8.189 -10.836 1.00 10.00 C ATOM 1034 CD LYS A 474 -2.082 8.633 -10.711 1.00 10.00 C ATOM 1035 CE LYS A 474 -1.926 9.737 -9.677 1.00 10.00 C ATOM 1036 NZ LYS A 474 -2.669 9.433 -8.423 1.00 10.00 N ATOM 0 H LYS A 474 -3.824 5.492 -11.603 1.00 10.00 H new ATOM 0 HA LYS A 474 -5.991 7.382 -12.236 1.00 10.00 H new ATOM 0 HB2 LYS A 474 -3.054 7.724 -12.870 1.00 10.00 H new ATOM 0 HB3 LYS A 474 -4.281 8.962 -12.685 1.00 10.00 H new ATOM 0 HG2 LYS A 474 -4.180 8.928 -10.367 1.00 10.00 H new ATOM 0 HG3 LYS A 474 -3.672 7.252 -10.297 1.00 10.00 H new ATOM 0 HD2 LYS A 474 -1.462 7.781 -10.432 1.00 10.00 H new ATOM 0 HD3 LYS A 474 -1.723 8.985 -11.678 1.00 10.00 H new ATOM 0 HE2 LYS A 474 -0.869 9.874 -9.449 1.00 10.00 H new ATOM 0 HE3 LYS A 474 -2.286 10.678 -10.093 1.00 10.00 H new ATOM 0 HZ1 LYS A 474 -2.443 10.149 -7.703 1.00 10.00 H new ATOM 0 HZ2 LYS A 474 -3.691 9.445 -8.614 1.00 10.00 H new ATOM 0 HZ3 LYS A 474 -2.393 8.493 -8.075 1.00 10.00 H new ATOM 1050 N LYS A 475 -4.962 5.266 -14.263 1.00 10.00 N ATOM 1051 CA LYS A 475 -5.021 4.778 -15.637 1.00 10.00 C ATOM 1052 C LYS A 475 -6.467 4.719 -16.121 1.00 10.00 C ATOM 1053 O LYS A 475 -6.738 4.841 -17.315 1.00 10.00 O ATOM 1054 CB LYS A 475 -4.376 3.394 -15.741 1.00 10.00 C ATOM 1055 CG LYS A 475 -4.500 2.762 -17.119 1.00 10.00 C ATOM 1056 CD LYS A 475 -5.717 1.856 -17.208 1.00 10.00 C ATOM 1057 CE LYS A 475 -6.243 1.768 -18.632 1.00 10.00 C ATOM 1058 NZ LYS A 475 -5.244 1.165 -19.557 1.00 10.00 N ATOM 0 H LYS A 475 -4.818 4.540 -13.561 1.00 10.00 H new ATOM 0 HA LYS A 475 -4.468 5.471 -16.271 1.00 10.00 H new ATOM 0 HB2 LYS A 475 -3.320 3.475 -15.482 1.00 10.00 H new ATOM 0 HB3 LYS A 475 -4.835 2.733 -15.006 1.00 10.00 H new ATOM 0 HG2 LYS A 475 -4.572 3.545 -17.874 1.00 10.00 H new ATOM 0 HG3 LYS A 475 -3.600 2.187 -17.339 1.00 10.00 H new ATOM 0 HD2 LYS A 475 -5.456 0.859 -16.853 1.00 10.00 H new ATOM 0 HD3 LYS A 475 -6.501 2.233 -16.552 1.00 10.00 H new ATOM 0 HE2 LYS A 475 -7.156 1.173 -18.646 1.00 10.00 H new ATOM 0 HE3 LYS A 475 -6.508 2.765 -18.984 1.00 10.00 H new ATOM 0 HZ1 LYS A 475 -5.670 1.045 -20.498 1.00 10.00 H new ATOM 0 HZ2 LYS A 475 -4.416 1.790 -19.629 1.00 10.00 H new ATOM 0 HZ3 LYS A 475 -4.947 0.238 -19.191 1.00 10.00 H new ATOM 1072 N ASN A 476 -7.390 4.530 -15.183 1.00 10.00 N ATOM 1073 CA ASN A 476 -8.809 4.454 -15.510 1.00 10.00 C ATOM 1074 C ASN A 476 -9.631 5.415 -14.651 1.00 10.00 C ATOM 1075 O ASN A 476 -10.860 5.419 -14.720 1.00 10.00 O ATOM 1076 CB ASN A 476 -9.318 3.025 -15.318 1.00 10.00 C ATOM 1077 CG ASN A 476 -8.998 2.133 -16.503 1.00 10.00 C ATOM 1078 OD1 ASN A 476 -8.743 2.616 -17.606 1.00 10.00 O ATOM 1079 ND2 ASN A 476 -9.012 0.824 -16.279 1.00 10.00 N ATOM 0 H ASN A 476 -7.180 4.427 -14.190 1.00 10.00 H new ATOM 0 HA ASN A 476 -8.926 4.745 -16.554 1.00 10.00 H new ATOM 0 HB2 ASN A 476 -8.873 2.602 -14.417 1.00 10.00 H new ATOM 0 HB3 ASN A 476 -10.397 3.044 -15.162 1.00 10.00 H new ATOM 0 HD21 ASN A 476 -8.806 0.174 -17.038 1.00 10.00 H new ATOM 0 HD22 ASN A 476 -9.229 0.468 -15.348 1.00 10.00 H new ATOM 1086 N GLU A 477 -8.954 6.228 -13.841 1.00 10.00 N ATOM 1087 CA GLU A 477 -9.638 7.183 -12.977 1.00 10.00 C ATOM 1088 C GLU A 477 -9.207 8.612 -13.289 1.00 10.00 C ATOM 1089 O GLU A 477 -10.022 9.534 -13.270 1.00 10.00 O ATOM 1090 CB GLU A 477 -9.359 6.863 -11.507 1.00 10.00 C ATOM 1091 CG GLU A 477 -10.495 7.249 -10.574 1.00 10.00 C ATOM 1092 CD GLU A 477 -10.053 7.350 -9.128 1.00 10.00 C ATOM 1093 OE1 GLU A 477 -9.361 6.425 -8.653 1.00 10.00 O ATOM 1094 OE2 GLU A 477 -10.397 8.355 -8.470 1.00 10.00 O ATOM 0 H GLU A 477 -7.937 6.243 -13.767 1.00 10.00 H new ATOM 0 HA GLU A 477 -10.708 7.099 -13.165 1.00 10.00 H new ATOM 0 HB2 GLU A 477 -9.165 5.795 -11.407 1.00 10.00 H new ATOM 0 HB3 GLU A 477 -8.452 7.382 -11.196 1.00 10.00 H new ATOM 0 HG2 GLU A 477 -10.911 8.205 -10.890 1.00 10.00 H new ATOM 0 HG3 GLU A 477 -11.293 6.512 -10.655 1.00 10.00 H new ATOM 1101 N ASN A 478 -7.921 8.792 -13.572 1.00 10.00 N ATOM 1102 CA ASN A 478 -7.386 10.112 -13.881 1.00 10.00 C ATOM 1103 C ASN A 478 -7.589 11.065 -12.709 1.00 10.00 C ATOM 1104 O ASN A 478 -8.478 11.916 -12.733 1.00 10.00 O ATOM 1105 CB ASN A 478 -8.056 10.676 -15.136 1.00 10.00 C ATOM 1106 CG ASN A 478 -8.034 9.696 -16.293 1.00 10.00 C ATOM 1107 OD1 ASN A 478 -7.308 8.702 -16.266 1.00 10.00 O ATOM 1108 ND2 ASN A 478 -8.830 9.974 -17.319 1.00 10.00 N ATOM 0 H ASN A 478 -7.231 8.041 -13.594 1.00 10.00 H new ATOM 0 HA ASN A 478 -6.316 10.012 -14.064 1.00 10.00 H new ATOM 0 HB2 ASN A 478 -9.088 10.939 -14.906 1.00 10.00 H new ATOM 0 HB3 ASN A 478 -7.551 11.595 -15.432 1.00 10.00 H new ATOM 0 HD21 ASN A 478 -8.856 9.352 -18.127 1.00 10.00 H new ATOM 0 HD22 ASN A 478 -9.415 10.809 -17.299 1.00 10.00 H new ATOM 1115 N TYR A 479 -6.763 10.910 -11.680 1.00 10.00 N ATOM 1116 CA TYR A 479 -6.847 11.741 -10.498 1.00 10.00 C ATOM 1117 C TYR A 479 -5.447 12.097 -10.008 1.00 10.00 C ATOM 1118 O TYR A 479 -4.487 12.100 -10.779 1.00 10.00 O ATOM 1119 CB TYR A 479 -7.644 11.013 -9.407 1.00 10.00 C ATOM 1120 CG TYR A 479 -6.893 9.866 -8.762 1.00 10.00 C ATOM 1121 CD1 TYR A 479 -6.469 8.777 -9.514 1.00 10.00 C ATOM 1122 CD2 TYR A 479 -6.610 9.876 -7.403 1.00 10.00 C ATOM 1123 CE1 TYR A 479 -5.783 7.729 -8.928 1.00 10.00 C ATOM 1124 CE2 TYR A 479 -5.925 8.833 -6.809 1.00 10.00 C ATOM 1125 CZ TYR A 479 -5.513 7.763 -7.575 1.00 10.00 C ATOM 1126 OH TYR A 479 -4.831 6.723 -6.986 1.00 10.00 O ATOM 0 H TYR A 479 -6.023 10.208 -11.647 1.00 10.00 H new ATOM 0 HA TYR A 479 -7.366 12.668 -10.743 1.00 10.00 H new ATOM 0 HB2 TYR A 479 -7.925 11.730 -8.636 1.00 10.00 H new ATOM 0 HB3 TYR A 479 -8.569 10.632 -9.839 1.00 10.00 H new ATOM 0 HD1 TYR A 479 -6.679 8.749 -10.573 1.00 10.00 H new ATOM 0 HD2 TYR A 479 -6.930 10.713 -6.800 1.00 10.00 H new ATOM 0 HE1 TYR A 479 -5.461 6.889 -9.525 1.00 10.00 H new ATOM 0 HE2 TYR A 479 -5.713 8.856 -5.750 1.00 10.00 H new ATOM 0 HH TYR A 479 -4.119 6.417 -7.586 1.00 10.00 H new ATOM 1136 N LYS A 480 -5.343 12.393 -8.728 1.00 10.00 N ATOM 1137 CA LYS A 480 -4.067 12.753 -8.120 1.00 10.00 C ATOM 1138 C LYS A 480 -3.896 12.067 -6.768 1.00 10.00 C ATOM 1139 O LYS A 480 -4.835 12.136 -5.947 1.00 10.00 O ATOM 1140 CB LYS A 480 -3.968 14.270 -7.951 1.00 10.00 C ATOM 1141 CG LYS A 480 -5.221 14.900 -7.364 1.00 10.00 C ATOM 1142 CD LYS A 480 -6.192 15.326 -8.454 1.00 10.00 C ATOM 1143 CE LYS A 480 -7.513 15.797 -7.869 1.00 10.00 C ATOM 1144 NZ LYS A 480 -8.367 16.464 -8.890 1.00 10.00 N ATOM 1145 OXT LYS A 480 -2.825 11.464 -6.543 1.00 10.00 O ATOM 0 H LYS A 480 -6.131 12.393 -8.080 1.00 10.00 H new ATOM 0 HA LYS A 480 -3.270 12.416 -8.782 1.00 10.00 H new ATOM 0 HB2 LYS A 480 -3.119 14.501 -7.307 1.00 10.00 H new ATOM 0 HB3 LYS A 480 -3.764 14.723 -8.921 1.00 10.00 H new ATOM 0 HG2 LYS A 480 -5.709 14.189 -6.698 1.00 10.00 H new ATOM 0 HG3 LYS A 480 -4.946 15.765 -6.761 1.00 10.00 H new ATOM 0 HD2 LYS A 480 -5.748 16.127 -9.045 1.00 10.00 H new ATOM 0 HD3 LYS A 480 -6.370 14.491 -9.131 1.00 10.00 H new ATOM 0 HE2 LYS A 480 -8.048 14.945 -7.449 1.00 10.00 H new ATOM 0 HE3 LYS A 480 -7.321 16.489 -7.049 1.00 10.00 H new ATOM 0 HZ1 LYS A 480 -9.258 16.770 -8.451 1.00 10.00 H new ATOM 0 HZ2 LYS A 480 -7.868 17.292 -9.273 1.00 10.00 H new ATOM 0 HZ3 LYS A 480 -8.572 15.796 -9.661 1.00 10.00 H new TER 1159 LYS A 480