USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 531 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0751 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.1) USER MOD Single : A 25 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.6!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -13:sc= 0.689 USER MOD Single : A 39 ASN : amide:sc= -0.654 K(o=-0.65,f=-4.6!) USER MOD Single : A 41 ASN : amide:sc= -0.62 K(o=-0.62,f=-2.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -2.89! C(o=-2.9!,f=-9.9!) USER MOD Single : A 52 ASN : amide:sc=-0.00136 X(o=-0.0014,f=-0.25) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -92:sc= 0.912 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.41! C(o=-1.4!,f=-1.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.326 16.452 -1.219 1.00 0.00 N ATOM 2 CA GLY A 1 15.689 17.714 -0.890 1.00 0.00 C ATOM 3 C GLY A 1 14.391 17.922 -1.645 1.00 0.00 C ATOM 4 O GLY A 1 13.846 16.983 -2.226 1.00 0.00 O ATOM 0 H1 GLY A 1 16.494 15.910 -0.347 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.708 15.906 -1.852 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.233 16.634 -1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.492 17.750 0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.373 18.532 -1.116 1.00 0.00 H new ATOM 8 N SER A 2 13.893 19.154 -1.635 1.00 0.00 N ATOM 9 CA SER A 2 12.648 19.481 -2.319 1.00 0.00 C ATOM 10 C SER A 2 12.911 19.866 -3.771 1.00 0.00 C ATOM 11 O SER A 2 13.041 21.046 -4.099 1.00 0.00 O ATOM 12 CB SER A 2 11.930 20.624 -1.598 1.00 0.00 C ATOM 13 OG SER A 2 11.303 20.166 -0.413 1.00 0.00 O ATOM 0 H SER A 2 14.333 19.942 -1.160 1.00 0.00 H new ATOM 0 HA SER A 2 12.012 18.596 -2.306 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.645 21.410 -1.354 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.185 21.065 -2.260 1.00 0.00 H new ATOM 0 HG SER A 2 10.853 20.916 0.030 1.00 0.00 H new ATOM 19 N SER A 3 12.988 18.862 -4.639 1.00 0.00 N ATOM 20 CA SER A 3 13.240 19.094 -6.056 1.00 0.00 C ATOM 21 C SER A 3 12.437 18.123 -6.917 1.00 0.00 C ATOM 22 O SER A 3 12.421 16.919 -6.664 1.00 0.00 O ATOM 23 CB SER A 3 14.732 18.949 -6.361 1.00 0.00 C ATOM 24 OG SER A 3 15.494 19.910 -5.651 1.00 0.00 O ATOM 0 H SER A 3 12.879 17.880 -4.385 1.00 0.00 H new ATOM 0 HA SER A 3 12.925 20.110 -6.294 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.065 17.946 -6.093 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.900 19.066 -7.432 1.00 0.00 H new ATOM 0 HG SER A 3 16.444 19.795 -5.862 1.00 0.00 H new ATOM 30 N GLY A 4 11.770 18.657 -7.935 1.00 0.00 N ATOM 31 CA GLY A 4 10.973 17.826 -8.818 1.00 0.00 C ATOM 32 C GLY A 4 9.522 18.263 -8.874 1.00 0.00 C ATOM 33 O GLY A 4 9.229 19.442 -9.070 1.00 0.00 O ATOM 0 H GLY A 4 11.767 19.651 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.397 17.857 -9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.024 16.790 -8.482 1.00 0.00 H new ATOM 37 N SER A 5 8.612 17.310 -8.702 1.00 0.00 N ATOM 38 CA SER A 5 7.184 17.602 -8.739 1.00 0.00 C ATOM 39 C SER A 5 6.666 17.959 -7.349 1.00 0.00 C ATOM 40 O SER A 5 5.591 17.517 -6.943 1.00 0.00 O ATOM 41 CB SER A 5 6.411 16.402 -9.291 1.00 0.00 C ATOM 42 OG SER A 5 6.318 16.461 -10.704 1.00 0.00 O ATOM 0 H SER A 5 8.838 16.329 -8.536 1.00 0.00 H new ATOM 0 HA SER A 5 7.030 18.458 -9.396 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.907 15.478 -8.994 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.411 16.379 -8.858 1.00 0.00 H new ATOM 0 HG SER A 5 5.821 15.682 -11.032 1.00 0.00 H new ATOM 48 N SER A 6 7.438 18.763 -6.626 1.00 0.00 N ATOM 49 CA SER A 6 7.060 19.178 -5.280 1.00 0.00 C ATOM 50 C SER A 6 5.660 19.783 -5.270 1.00 0.00 C ATOM 51 O SER A 6 5.365 20.705 -6.029 1.00 0.00 O ATOM 52 CB SER A 6 8.069 20.191 -4.734 1.00 0.00 C ATOM 53 OG SER A 6 9.217 19.539 -4.218 1.00 0.00 O ATOM 0 H SER A 6 8.329 19.140 -6.949 1.00 0.00 H new ATOM 0 HA SER A 6 7.059 18.295 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.363 20.879 -5.526 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.602 20.788 -3.950 1.00 0.00 H new ATOM 0 HG SER A 6 9.847 20.207 -3.877 1.00 0.00 H new ATOM 59 N GLY A 7 4.800 19.255 -4.405 1.00 0.00 N ATOM 60 CA GLY A 7 3.440 19.754 -4.312 1.00 0.00 C ATOM 61 C GLY A 7 2.641 19.060 -3.226 1.00 0.00 C ATOM 62 O GLY A 7 2.763 19.393 -2.048 1.00 0.00 O ATOM 0 H GLY A 7 5.020 18.491 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.462 20.826 -4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.940 19.617 -5.271 1.00 0.00 H new ATOM 66 N MET A 8 1.819 18.095 -3.624 1.00 0.00 N ATOM 67 CA MET A 8 0.996 17.353 -2.676 1.00 0.00 C ATOM 68 C MET A 8 1.678 16.052 -2.265 1.00 0.00 C ATOM 69 O MET A 8 1.876 15.158 -3.087 1.00 0.00 O ATOM 70 CB MET A 8 -0.376 17.054 -3.283 1.00 0.00 C ATOM 71 CG MET A 8 -1.290 18.267 -3.349 1.00 0.00 C ATOM 72 SD MET A 8 -2.216 18.521 -1.823 1.00 0.00 S ATOM 73 CE MET A 8 -3.851 17.994 -2.328 1.00 0.00 C ATOM 0 H MET A 8 1.705 17.808 -4.596 1.00 0.00 H new ATOM 0 HA MET A 8 0.865 17.970 -1.787 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.240 16.657 -4.289 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.862 16.275 -2.696 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.694 19.155 -3.560 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.988 18.147 -4.178 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.540 18.092 -1.489 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.194 18.616 -3.155 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.815 16.953 -2.648 1.00 0.00 H new ATOM 83 N ALA A 9 2.035 15.954 -0.989 1.00 0.00 N ATOM 84 CA ALA A 9 2.694 14.761 -0.469 1.00 0.00 C ATOM 85 C ALA A 9 1.672 13.733 0.004 1.00 0.00 C ATOM 86 O ALA A 9 1.340 13.671 1.188 1.00 0.00 O ATOM 87 CB ALA A 9 3.638 15.131 0.665 1.00 0.00 C ATOM 0 H ALA A 9 1.879 16.686 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 9 3.273 14.314 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.123 14.231 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.395 15.823 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.074 15.604 1.469 1.00 0.00 H new ATOM 93 N THR A 10 1.176 12.925 -0.929 1.00 0.00 N ATOM 94 CA THR A 10 0.191 11.900 -0.607 1.00 0.00 C ATOM 95 C THR A 10 0.868 10.596 -0.200 1.00 0.00 C ATOM 96 O THR A 10 1.732 10.084 -0.912 1.00 0.00 O ATOM 97 CB THR A 10 -0.746 11.629 -1.799 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.238 12.866 -2.327 1.00 0.00 O ATOM 99 CG2 THR A 10 -1.915 10.751 -1.379 1.00 0.00 C ATOM 0 H THR A 10 1.441 12.961 -1.913 1.00 0.00 H new ATOM 0 HA THR A 10 -0.397 12.277 0.230 1.00 0.00 H new ATOM 0 HB THR A 10 -0.177 11.107 -2.568 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.832 12.685 -3.086 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.563 10.573 -2.237 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.539 9.799 -1.005 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.482 11.251 -0.594 1.00 0.00 H new ATOM 107 N LYS A 11 0.470 10.063 0.950 1.00 0.00 N ATOM 108 CA LYS A 11 1.035 8.816 1.452 1.00 0.00 C ATOM 109 C LYS A 11 -0.042 7.745 1.586 1.00 0.00 C ATOM 110 O LYS A 11 -1.229 8.054 1.685 1.00 0.00 O ATOM 111 CB LYS A 11 1.711 9.048 2.805 1.00 0.00 C ATOM 112 CG LYS A 11 2.929 9.953 2.730 1.00 0.00 C ATOM 113 CD LYS A 11 4.064 9.298 1.962 1.00 0.00 C ATOM 114 CE LYS A 11 5.272 10.216 1.862 1.00 0.00 C ATOM 115 NZ LYS A 11 6.419 9.551 1.183 1.00 0.00 N ATOM 0 H LYS A 11 -0.242 10.475 1.552 1.00 0.00 H new ATOM 0 HA LYS A 11 1.779 8.469 0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.987 9.484 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.009 8.086 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.657 10.892 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.264 10.198 3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.351 8.370 2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.723 9.034 0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.999 11.118 1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.574 10.530 2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.223 10.209 1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.697 8.704 1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.140 9.274 0.220 1.00 0.00 H new ATOM 129 N ALA A 12 0.381 6.485 1.590 1.00 0.00 N ATOM 130 CA ALA A 12 -0.548 5.368 1.716 1.00 0.00 C ATOM 131 C ALA A 12 0.068 4.230 2.523 1.00 0.00 C ATOM 132 O ALA A 12 1.245 3.907 2.359 1.00 0.00 O ATOM 133 CB ALA A 12 -0.970 4.875 0.340 1.00 0.00 C ATOM 0 H ALA A 12 1.360 6.212 1.507 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.431 5.720 2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.663 4.041 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.458 5.684 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.091 4.546 -0.214 1.00 0.00 H new ATOM 139 N ARG A 13 -0.734 3.626 3.393 1.00 0.00 N ATOM 140 CA ARG A 13 -0.266 2.525 4.226 1.00 0.00 C ATOM 141 C ARG A 13 -0.771 1.187 3.693 1.00 0.00 C ATOM 142 O ARG A 13 -1.904 1.082 3.224 1.00 0.00 O ATOM 143 CB ARG A 13 -0.729 2.718 5.671 1.00 0.00 C ATOM 144 CG ARG A 13 -0.006 1.827 6.667 1.00 0.00 C ATOM 145 CD ARG A 13 -0.496 2.065 8.087 1.00 0.00 C ATOM 146 NE ARG A 13 0.210 1.232 9.057 1.00 0.00 N ATOM 147 CZ ARG A 13 0.223 1.475 10.363 1.00 0.00 C ATOM 148 NH1 ARG A 13 -0.428 2.521 10.852 1.00 0.00 N ATOM 149 NH2 ARG A 13 0.888 0.670 11.182 1.00 0.00 N ATOM 0 H ARG A 13 -1.711 3.880 3.540 1.00 0.00 H new ATOM 0 HA ARG A 13 0.824 2.520 4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.581 3.760 5.955 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.799 2.520 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.159 0.782 6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.066 2.016 6.615 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.362 3.115 8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.565 1.858 8.141 1.00 0.00 H new ATOM 0 HE ARG A 13 0.721 0.419 8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.940 3.141 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.417 2.705 11.855 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.390 -0.136 10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.898 0.857 12.185 1.00 0.00 H new ATOM 163 N VAL A 14 0.078 0.167 3.769 1.00 0.00 N ATOM 164 CA VAL A 14 -0.282 -1.164 3.295 1.00 0.00 C ATOM 165 C VAL A 14 -0.971 -1.970 4.390 1.00 0.00 C ATOM 166 O VAL A 14 -0.511 -2.004 5.531 1.00 0.00 O ATOM 167 CB VAL A 14 0.956 -1.939 2.804 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.538 -3.213 2.086 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.809 -1.062 1.899 1.00 0.00 C ATOM 0 H VAL A 14 1.020 0.237 4.154 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.970 -1.027 2.461 1.00 0.00 H new ATOM 0 HB VAL A 14 1.555 -2.219 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.425 -3.747 1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.028 -3.847 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.084 -2.959 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.679 -1.625 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.221 -0.750 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.138 -0.182 2.451 1.00 0.00 H new ATOM 179 N MET A 15 -2.075 -2.617 4.035 1.00 0.00 N ATOM 180 CA MET A 15 -2.827 -3.425 4.988 1.00 0.00 C ATOM 181 C MET A 15 -2.479 -4.903 4.842 1.00 0.00 C ATOM 182 O MET A 15 -2.493 -5.653 5.818 1.00 0.00 O ATOM 183 CB MET A 15 -4.330 -3.221 4.788 1.00 0.00 C ATOM 184 CG MET A 15 -4.726 -1.765 4.600 1.00 0.00 C ATOM 185 SD MET A 15 -6.400 -1.421 5.175 1.00 0.00 S ATOM 186 CE MET A 15 -7.294 -1.403 3.623 1.00 0.00 C ATOM 0 H MET A 15 -2.469 -2.598 3.094 1.00 0.00 H new ATOM 0 HA MET A 15 -2.554 -3.103 5.993 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.653 -3.792 3.918 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.861 -3.625 5.650 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.023 -1.129 5.138 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.648 -1.505 3.544 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.348 -1.202 3.813 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.886 -0.625 2.977 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.192 -2.371 3.133 1.00 0.00 H new ATOM 196 N TYR A 16 -2.168 -5.314 3.618 1.00 0.00 N ATOM 197 CA TYR A 16 -1.819 -6.703 3.345 1.00 0.00 C ATOM 198 C TYR A 16 -0.659 -6.789 2.357 1.00 0.00 C ATOM 199 O TYR A 16 -0.732 -6.258 1.249 1.00 0.00 O ATOM 200 CB TYR A 16 -3.030 -7.456 2.792 1.00 0.00 C ATOM 201 CG TYR A 16 -4.318 -7.150 3.523 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.555 -7.655 4.796 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.298 -6.355 2.941 1.00 0.00 C ATOM 204 CE1 TYR A 16 -5.730 -7.378 5.467 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.476 -6.072 3.605 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.688 -6.586 4.867 1.00 0.00 C ATOM 207 OH TYR A 16 -7.859 -6.307 5.533 1.00 0.00 O ATOM 0 H TYR A 16 -2.150 -4.706 2.799 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.510 -7.164 4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.152 -7.207 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.837 -8.527 2.846 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.807 -8.275 5.269 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.136 -5.951 1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.898 -7.779 6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.227 -5.452 3.138 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.426 -5.736 4.973 1.00 0.00 H new ATOM 217 N ASP A 17 0.409 -7.464 2.767 1.00 0.00 N ATOM 218 CA ASP A 17 1.585 -7.622 1.919 1.00 0.00 C ATOM 219 C ASP A 17 1.183 -7.998 0.497 1.00 0.00 C ATOM 220 O ASP A 17 0.668 -9.090 0.254 1.00 0.00 O ATOM 221 CB ASP A 17 2.517 -8.688 2.497 1.00 0.00 C ATOM 222 CG ASP A 17 1.760 -9.865 3.079 1.00 0.00 C ATOM 223 OD1 ASP A 17 0.798 -10.330 2.432 1.00 0.00 O ATOM 224 OD2 ASP A 17 2.129 -10.322 4.182 1.00 0.00 O ATOM 0 H ASP A 17 0.485 -7.910 3.681 1.00 0.00 H new ATOM 0 HA ASP A 17 2.111 -6.668 1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.188 -9.042 1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.139 -8.241 3.272 1.00 0.00 H new ATOM 229 N PHE A 18 1.420 -7.086 -0.441 1.00 0.00 N ATOM 230 CA PHE A 18 1.081 -7.321 -1.839 1.00 0.00 C ATOM 231 C PHE A 18 2.328 -7.655 -2.653 1.00 0.00 C ATOM 232 O PHE A 18 3.172 -6.793 -2.897 1.00 0.00 O ATOM 233 CB PHE A 18 0.386 -6.093 -2.430 1.00 0.00 C ATOM 234 CG PHE A 18 -0.138 -6.312 -3.821 1.00 0.00 C ATOM 235 CD1 PHE A 18 -1.068 -7.307 -4.077 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.300 -5.523 -4.873 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.552 -7.512 -5.355 1.00 0.00 C ATOM 238 CE2 PHE A 18 -0.181 -5.722 -6.153 1.00 0.00 C ATOM 239 CZ PHE A 18 -1.107 -6.718 -6.395 1.00 0.00 C ATOM 0 H PHE A 18 1.846 -6.177 -0.257 1.00 0.00 H new ATOM 0 HA PHE A 18 0.401 -8.172 -1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.440 -5.805 -1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.088 -5.259 -2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.419 -7.930 -3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.025 -4.744 -4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.277 -8.291 -5.541 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.167 -5.099 -6.964 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.483 -6.876 -7.395 1.00 0.00 H new ATOM 249 N ALA A 19 2.436 -8.912 -3.070 1.00 0.00 N ATOM 250 CA ALA A 19 3.578 -9.360 -3.857 1.00 0.00 C ATOM 251 C ALA A 19 3.286 -9.264 -5.351 1.00 0.00 C ATOM 252 O ALA A 19 2.591 -10.110 -5.913 1.00 0.00 O ATOM 253 CB ALA A 19 3.951 -10.787 -3.481 1.00 0.00 C ATOM 0 H ALA A 19 1.746 -9.638 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 19 4.421 -8.705 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.805 -11.109 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.210 -10.829 -2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.105 -11.447 -3.674 1.00 0.00 H new ATOM 259 N ALA A 20 3.822 -8.228 -5.988 1.00 0.00 N ATOM 260 CA ALA A 20 3.620 -8.023 -7.417 1.00 0.00 C ATOM 261 C ALA A 20 4.325 -9.102 -8.232 1.00 0.00 C ATOM 262 O ALA A 20 5.232 -9.771 -7.738 1.00 0.00 O ATOM 263 CB ALA A 20 4.112 -6.643 -7.827 1.00 0.00 C ATOM 0 H ALA A 20 4.399 -7.518 -5.537 1.00 0.00 H new ATOM 0 HA ALA A 20 2.551 -8.091 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.955 -6.504 -8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.559 -5.881 -7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.175 -6.554 -7.602 1.00 0.00 H new ATOM 269 N GLU A 21 3.902 -9.265 -9.481 1.00 0.00 N ATOM 270 CA GLU A 21 4.493 -10.265 -10.363 1.00 0.00 C ATOM 271 C GLU A 21 5.711 -9.699 -11.087 1.00 0.00 C ATOM 272 O GLU A 21 5.765 -8.519 -11.436 1.00 0.00 O ATOM 273 CB GLU A 21 3.461 -10.753 -11.382 1.00 0.00 C ATOM 274 CG GLU A 21 2.340 -11.574 -10.768 1.00 0.00 C ATOM 275 CD GLU A 21 2.808 -12.936 -10.292 1.00 0.00 C ATOM 276 OE1 GLU A 21 3.333 -13.021 -9.163 1.00 0.00 O ATOM 277 OE2 GLU A 21 2.649 -13.916 -11.049 1.00 0.00 O ATOM 0 H GLU A 21 3.153 -8.718 -9.905 1.00 0.00 H new ATOM 0 HA GLU A 21 4.814 -11.108 -9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.031 -9.891 -11.892 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.966 -11.352 -12.139 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.912 -11.027 -9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.545 -11.703 -11.502 1.00 0.00 H new ATOM 284 N PRO A 22 6.714 -10.560 -11.319 1.00 0.00 N ATOM 285 CA PRO A 22 7.950 -10.169 -12.003 1.00 0.00 C ATOM 286 C PRO A 22 7.726 -9.879 -13.483 1.00 0.00 C ATOM 287 O PRO A 22 6.988 -10.592 -14.161 1.00 0.00 O ATOM 288 CB PRO A 22 8.854 -11.392 -11.829 1.00 0.00 C ATOM 289 CG PRO A 22 7.914 -12.535 -11.653 1.00 0.00 C ATOM 290 CD PRO A 22 6.718 -11.980 -10.931 1.00 0.00 C ATOM 0 HA PRO A 22 8.369 -9.250 -11.593 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.496 -11.537 -12.698 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.509 -11.281 -10.965 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.627 -12.956 -12.617 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.378 -13.337 -11.080 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.798 -12.481 -11.232 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.808 -12.101 -9.852 1.00 0.00 H new ATOM 298 N GLY A 23 8.370 -8.826 -13.979 1.00 0.00 N ATOM 299 CA GLY A 23 8.228 -8.461 -15.377 1.00 0.00 C ATOM 300 C GLY A 23 6.815 -8.037 -15.724 1.00 0.00 C ATOM 301 O GLY A 23 6.246 -8.501 -16.711 1.00 0.00 O ATOM 0 H GLY A 23 8.987 -8.220 -13.438 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.916 -7.648 -15.609 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.514 -9.308 -16.001 1.00 0.00 H new ATOM 305 N ASN A 24 6.246 -7.153 -14.910 1.00 0.00 N ATOM 306 CA ASN A 24 4.890 -6.668 -15.136 1.00 0.00 C ATOM 307 C ASN A 24 4.697 -5.284 -14.523 1.00 0.00 C ATOM 308 O ASN A 24 5.603 -4.744 -13.890 1.00 0.00 O ATOM 309 CB ASN A 24 3.872 -7.646 -14.545 1.00 0.00 C ATOM 310 CG ASN A 24 3.764 -8.926 -15.351 1.00 0.00 C ATOM 311 OD1 ASN A 24 3.501 -8.896 -16.553 1.00 0.00 O ATOM 312 ND2 ASN A 24 3.968 -10.060 -14.690 1.00 0.00 N ATOM 0 H ASN A 24 6.703 -6.758 -14.088 1.00 0.00 H new ATOM 0 HA ASN A 24 4.732 -6.594 -16.212 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.157 -7.888 -13.521 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.895 -7.165 -14.499 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.909 -10.953 -15.179 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.184 -10.038 -13.693 1.00 0.00 H new ATOM 319 N ASN A 25 3.511 -4.718 -14.716 1.00 0.00 N ATOM 320 CA ASN A 25 3.199 -3.397 -14.182 1.00 0.00 C ATOM 321 C ASN A 25 2.601 -3.502 -12.783 1.00 0.00 C ATOM 322 O ASN A 25 1.415 -3.243 -12.583 1.00 0.00 O ATOM 323 CB ASN A 25 2.227 -2.665 -15.110 1.00 0.00 C ATOM 324 CG ASN A 25 1.293 -3.616 -15.835 1.00 0.00 C ATOM 325 OD1 ASN A 25 1.700 -4.315 -16.763 1.00 0.00 O ATOM 326 ND2 ASN A 25 0.035 -3.645 -15.413 1.00 0.00 N ATOM 0 H ASN A 25 2.750 -5.153 -15.238 1.00 0.00 H new ATOM 0 HA ASN A 25 4.128 -2.830 -14.119 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.639 -1.955 -14.529 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.792 -2.087 -15.841 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.639 -4.265 -15.862 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.257 -3.048 -14.640 1.00 0.00 H new ATOM 333 N GLU A 26 3.432 -3.885 -11.818 1.00 0.00 N ATOM 334 CA GLU A 26 2.985 -4.026 -10.437 1.00 0.00 C ATOM 335 C GLU A 26 4.162 -3.923 -9.471 1.00 0.00 C ATOM 336 O GLU A 26 5.202 -4.550 -9.673 1.00 0.00 O ATOM 337 CB GLU A 26 2.267 -5.363 -10.243 1.00 0.00 C ATOM 338 CG GLU A 26 0.910 -5.429 -10.923 1.00 0.00 C ATOM 339 CD GLU A 26 -0.041 -6.390 -10.237 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.019 -6.498 -8.994 1.00 0.00 O ATOM 341 OE2 GLU A 26 -0.844 -7.035 -10.943 1.00 0.00 O ATOM 0 H GLU A 26 4.417 -4.103 -11.967 1.00 0.00 H new ATOM 0 HA GLU A 26 2.289 -3.215 -10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.897 -6.164 -10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.139 -5.546 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.466 -4.433 -10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.043 -5.734 -11.961 1.00 0.00 H new ATOM 348 N LEU A 27 3.990 -3.128 -8.421 1.00 0.00 N ATOM 349 CA LEU A 27 5.037 -2.942 -7.422 1.00 0.00 C ATOM 350 C LEU A 27 4.815 -3.857 -6.223 1.00 0.00 C ATOM 351 O LEU A 27 3.677 -4.125 -5.835 1.00 0.00 O ATOM 352 CB LEU A 27 5.079 -1.483 -6.964 1.00 0.00 C ATOM 353 CG LEU A 27 6.295 -1.075 -6.132 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.535 -0.986 -7.008 1.00 0.00 C ATOM 355 CD2 LEU A 27 6.040 0.250 -5.429 1.00 0.00 C ATOM 0 H LEU A 27 3.135 -2.602 -8.239 1.00 0.00 H new ATOM 0 HA LEU A 27 5.992 -3.200 -7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.037 -0.845 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.181 -1.280 -6.381 1.00 0.00 H new ATOM 0 HG LEU A 27 6.465 -1.839 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.391 -0.694 -6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.728 -1.957 -7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.376 -0.243 -7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.916 0.525 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.844 1.024 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.177 0.152 -4.770 1.00 0.00 H new ATOM 367 N THR A 28 5.909 -4.332 -5.636 1.00 0.00 N ATOM 368 CA THR A 28 5.834 -5.216 -4.480 1.00 0.00 C ATOM 369 C THR A 28 5.918 -4.428 -3.179 1.00 0.00 C ATOM 370 O THR A 28 6.934 -3.796 -2.888 1.00 0.00 O ATOM 371 CB THR A 28 6.959 -6.268 -4.503 1.00 0.00 C ATOM 372 OG1 THR A 28 6.930 -6.990 -5.740 1.00 0.00 O ATOM 373 CG2 THR A 28 6.817 -7.239 -3.341 1.00 0.00 C ATOM 0 H THR A 28 6.858 -4.119 -5.943 1.00 0.00 H new ATOM 0 HA THR A 28 4.871 -5.724 -4.533 1.00 0.00 H new ATOM 0 HB THR A 28 7.913 -5.749 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.649 -7.656 -5.747 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.623 -7.972 -3.379 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.869 -6.691 -2.400 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.857 -7.751 -3.410 1.00 0.00 H new ATOM 381 N VAL A 29 4.844 -4.469 -2.396 1.00 0.00 N ATOM 382 CA VAL A 29 4.797 -3.759 -1.124 1.00 0.00 C ATOM 383 C VAL A 29 4.511 -4.715 0.029 1.00 0.00 C ATOM 384 O VAL A 29 4.053 -5.839 -0.181 1.00 0.00 O ATOM 385 CB VAL A 29 3.726 -2.653 -1.137 1.00 0.00 C ATOM 386 CG1 VAL A 29 4.041 -1.616 -2.204 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.345 -3.252 -1.356 1.00 0.00 C ATOM 0 H VAL A 29 3.995 -4.987 -2.621 1.00 0.00 H new ATOM 0 HA VAL A 29 5.777 -3.303 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 29 3.732 -2.155 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.273 -0.843 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.012 -1.165 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.064 -2.096 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.600 -2.456 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.323 -3.777 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.121 -3.953 -0.552 1.00 0.00 H new ATOM 397 N THR A 30 4.783 -4.261 1.248 1.00 0.00 N ATOM 398 CA THR A 30 4.556 -5.076 2.435 1.00 0.00 C ATOM 399 C THR A 30 3.644 -4.362 3.426 1.00 0.00 C ATOM 400 O THR A 30 3.590 -3.133 3.459 1.00 0.00 O ATOM 401 CB THR A 30 5.881 -5.429 3.137 1.00 0.00 C ATOM 402 OG1 THR A 30 6.591 -4.232 3.473 1.00 0.00 O ATOM 403 CG2 THR A 30 6.748 -6.306 2.247 1.00 0.00 C ATOM 0 H THR A 30 5.161 -3.333 1.439 1.00 0.00 H new ATOM 0 HA THR A 30 4.075 -5.995 2.099 1.00 0.00 H new ATOM 0 HB THR A 30 5.648 -5.981 4.048 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.431 -4.465 3.920 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.678 -6.542 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.216 -7.229 2.017 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.972 -5.776 1.321 1.00 0.00 H new ATOM 411 N GLU A 31 2.928 -5.140 4.232 1.00 0.00 N ATOM 412 CA GLU A 31 2.018 -4.580 5.224 1.00 0.00 C ATOM 413 C GLU A 31 2.779 -3.752 6.255 1.00 0.00 C ATOM 414 O GLU A 31 3.508 -4.294 7.085 1.00 0.00 O ATOM 415 CB GLU A 31 1.240 -5.696 5.923 1.00 0.00 C ATOM 416 CG GLU A 31 0.396 -5.212 7.090 1.00 0.00 C ATOM 417 CD GLU A 31 0.033 -6.328 8.050 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.322 -7.427 7.576 1.00 0.00 O ATOM 419 OE2 GLU A 31 0.103 -6.101 9.276 1.00 0.00 O ATOM 0 H GLU A 31 2.961 -6.159 4.217 1.00 0.00 H new ATOM 0 HA GLU A 31 1.315 -3.927 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.592 -6.186 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.943 -6.448 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.939 -4.436 7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.517 -4.755 6.708 1.00 0.00 H new ATOM 426 N GLY A 32 2.605 -2.436 6.195 1.00 0.00 N ATOM 427 CA GLY A 32 3.282 -1.554 7.128 1.00 0.00 C ATOM 428 C GLY A 32 4.198 -0.567 6.433 1.00 0.00 C ATOM 429 O GLY A 32 4.473 0.511 6.959 1.00 0.00 O ATOM 0 H GLY A 32 2.007 -1.964 5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.540 -1.008 7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.863 -2.151 7.831 1.00 0.00 H new ATOM 433 N GLU A 33 4.673 -0.937 5.248 1.00 0.00 N ATOM 434 CA GLU A 33 5.566 -0.076 4.481 1.00 0.00 C ATOM 435 C GLU A 33 4.796 1.076 3.843 1.00 0.00 C ATOM 436 O GLU A 33 3.652 0.912 3.418 1.00 0.00 O ATOM 437 CB GLU A 33 6.285 -0.884 3.399 1.00 0.00 C ATOM 438 CG GLU A 33 6.663 -0.064 2.176 1.00 0.00 C ATOM 439 CD GLU A 33 7.802 -0.681 1.389 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.873 -0.922 1.985 1.00 0.00 O ATOM 441 OE2 GLU A 33 7.623 -0.923 0.177 1.00 0.00 O ATOM 0 H GLU A 33 4.455 -1.826 4.798 1.00 0.00 H new ATOM 0 HA GLU A 33 6.305 0.339 5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.187 -1.323 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.645 -1.710 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.792 0.038 1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.946 0.941 2.490 1.00 0.00 H new ATOM 448 N ILE A 34 5.431 2.242 3.781 1.00 0.00 N ATOM 449 CA ILE A 34 4.807 3.421 3.196 1.00 0.00 C ATOM 450 C ILE A 34 5.415 3.748 1.836 1.00 0.00 C ATOM 451 O ILE A 34 6.596 3.493 1.596 1.00 0.00 O ATOM 452 CB ILE A 34 4.946 4.648 4.116 1.00 0.00 C ATOM 453 CG1 ILE A 34 4.462 4.312 5.528 1.00 0.00 C ATOM 454 CG2 ILE A 34 4.168 5.827 3.550 1.00 0.00 C ATOM 455 CD1 ILE A 34 3.089 3.676 5.560 1.00 0.00 C ATOM 0 H ILE A 34 6.378 2.395 4.129 1.00 0.00 H new ATOM 0 HA ILE A 34 3.749 3.188 3.072 1.00 0.00 H new ATOM 0 HB ILE A 34 5.999 4.925 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.177 3.637 5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.445 5.224 6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.277 6.686 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.556 6.078 2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.114 5.562 3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.810 3.465 6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.362 4.358 5.120 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.105 2.746 4.991 1.00 0.00 H new ATOM 467 N ILE A 35 4.602 4.314 0.951 1.00 0.00 N ATOM 468 CA ILE A 35 5.062 4.679 -0.384 1.00 0.00 C ATOM 469 C ILE A 35 4.445 5.997 -0.837 1.00 0.00 C ATOM 470 O ILE A 35 3.595 6.567 -0.151 1.00 0.00 O ATOM 471 CB ILE A 35 4.722 3.585 -1.414 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.215 3.321 -1.432 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.486 2.307 -1.101 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.753 2.544 -2.645 1.00 0.00 C ATOM 0 H ILE A 35 3.622 4.530 1.134 1.00 0.00 H new ATOM 0 HA ILE A 35 6.145 4.789 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 35 5.022 3.932 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.940 2.771 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.687 4.274 -1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.235 1.544 -1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.557 2.506 -1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.214 1.955 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.675 2.393 -2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.997 3.102 -3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.254 1.576 -2.670 1.00 0.00 H new ATOM 486 N THR A 36 4.876 6.478 -1.999 1.00 0.00 N ATOM 487 CA THR A 36 4.366 7.730 -2.545 1.00 0.00 C ATOM 488 C THR A 36 3.304 7.473 -3.608 1.00 0.00 C ATOM 489 O THR A 36 3.478 6.622 -4.480 1.00 0.00 O ATOM 490 CB THR A 36 5.497 8.577 -3.158 1.00 0.00 C ATOM 491 OG1 THR A 36 6.600 8.653 -2.249 1.00 0.00 O ATOM 492 CG2 THR A 36 5.005 9.979 -3.486 1.00 0.00 C ATOM 0 H THR A 36 5.577 6.019 -2.580 1.00 0.00 H new ATOM 0 HA THR A 36 3.920 8.279 -1.716 1.00 0.00 H new ATOM 0 HB THR A 36 5.821 8.097 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.315 9.192 -2.647 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.821 10.559 -3.918 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.184 9.919 -4.201 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.657 10.465 -2.575 1.00 0.00 H new ATOM 500 N VAL A 37 2.204 8.215 -3.530 1.00 0.00 N ATOM 501 CA VAL A 37 1.114 8.069 -4.488 1.00 0.00 C ATOM 502 C VAL A 37 1.245 9.074 -5.627 1.00 0.00 C ATOM 503 O VAL A 37 1.439 10.268 -5.398 1.00 0.00 O ATOM 504 CB VAL A 37 -0.256 8.254 -3.810 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.375 8.179 -4.839 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.455 7.214 -2.718 1.00 0.00 C ATOM 0 H VAL A 37 2.044 8.923 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 37 1.179 7.058 -4.890 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.283 9.241 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.336 8.312 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.239 8.965 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.352 7.207 -5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.428 7.360 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.408 6.216 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.328 7.320 -1.967 1.00 0.00 H new ATOM 516 N THR A 38 1.138 8.583 -6.858 1.00 0.00 N ATOM 517 CA THR A 38 1.245 9.437 -8.034 1.00 0.00 C ATOM 518 C THR A 38 -0.052 9.434 -8.835 1.00 0.00 C ATOM 519 O THR A 38 -0.524 10.483 -9.273 1.00 0.00 O ATOM 520 CB THR A 38 2.401 8.991 -8.949 1.00 0.00 C ATOM 521 OG1 THR A 38 2.262 7.603 -9.273 1.00 0.00 O ATOM 522 CG2 THR A 38 3.745 9.228 -8.277 1.00 0.00 C ATOM 0 H THR A 38 0.977 7.597 -7.066 1.00 0.00 H new ATOM 0 HA THR A 38 1.445 10.446 -7.675 1.00 0.00 H new ATOM 0 HB THR A 38 2.360 9.583 -9.863 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.593 7.195 -8.685 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.546 8.905 -8.942 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.860 10.290 -8.058 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.793 8.659 -7.349 1.00 0.00 H new ATOM 530 N ASN A 39 -0.624 8.249 -9.022 1.00 0.00 N ATOM 531 CA ASN A 39 -1.868 8.111 -9.771 1.00 0.00 C ATOM 532 C ASN A 39 -2.905 7.335 -8.965 1.00 0.00 C ATOM 533 O ASN A 39 -3.108 6.136 -9.159 1.00 0.00 O ATOM 534 CB ASN A 39 -1.609 7.406 -11.104 1.00 0.00 C ATOM 535 CG ASN A 39 -2.822 7.427 -12.014 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.936 7.715 -11.576 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.610 7.121 -13.289 1.00 0.00 N ATOM 0 H ASN A 39 -0.246 7.371 -8.666 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.259 9.110 -9.966 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.771 7.886 -11.609 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.318 6.373 -10.915 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.388 7.119 -13.949 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.670 6.889 -13.608 1.00 0.00 H new ATOM 544 N PRO A 40 -3.578 8.033 -8.038 1.00 0.00 N ATOM 545 CA PRO A 40 -4.606 7.430 -7.185 1.00 0.00 C ATOM 546 C PRO A 40 -5.865 7.064 -7.964 1.00 0.00 C ATOM 547 O PRO A 40 -6.700 6.298 -7.486 1.00 0.00 O ATOM 548 CB PRO A 40 -4.909 8.530 -6.164 1.00 0.00 C ATOM 549 CG PRO A 40 -4.547 9.798 -6.856 1.00 0.00 C ATOM 550 CD PRO A 40 -3.387 9.465 -7.752 1.00 0.00 C ATOM 0 HA PRO A 40 -4.268 6.495 -6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.960 8.523 -5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.326 8.396 -5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.388 10.181 -7.433 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.275 10.571 -6.137 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.399 10.062 -8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.432 9.653 -7.260 1.00 0.00 H new ATOM 558 N ASN A 41 -5.992 7.616 -9.166 1.00 0.00 N ATOM 559 CA ASN A 41 -7.150 7.347 -10.011 1.00 0.00 C ATOM 560 C ASN A 41 -6.722 6.732 -11.340 1.00 0.00 C ATOM 561 O ASN A 41 -6.576 7.431 -12.342 1.00 0.00 O ATOM 562 CB ASN A 41 -7.935 8.636 -10.263 1.00 0.00 C ATOM 563 CG ASN A 41 -8.333 9.331 -8.975 1.00 0.00 C ATOM 564 OD1 ASN A 41 -7.508 9.967 -8.319 1.00 0.00 O ATOM 565 ND2 ASN A 41 -9.604 9.213 -8.608 1.00 0.00 N ATOM 0 H ASN A 41 -5.308 8.252 -9.577 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.791 6.635 -9.490 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.332 9.314 -10.867 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.830 8.406 -10.840 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.931 9.660 -7.751 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.253 8.676 -9.183 1.00 0.00 H new ATOM 572 N VAL A 42 -6.523 5.417 -11.340 1.00 0.00 N ATOM 573 CA VAL A 42 -6.114 4.706 -12.546 1.00 0.00 C ATOM 574 C VAL A 42 -7.321 4.325 -13.395 1.00 0.00 C ATOM 575 O VAL A 42 -7.404 4.681 -14.570 1.00 0.00 O ATOM 576 CB VAL A 42 -5.317 3.433 -12.203 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.696 2.838 -13.457 1.00 0.00 C ATOM 578 CG2 VAL A 42 -4.251 3.736 -11.162 1.00 0.00 C ATOM 0 H VAL A 42 -6.638 4.823 -10.519 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.475 5.384 -13.113 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.003 2.698 -11.783 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.137 1.940 -13.195 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.483 2.582 -14.166 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.022 3.565 -13.910 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.698 2.825 -10.932 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.565 4.488 -11.552 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.725 4.112 -10.255 1.00 0.00 H new ATOM 588 N GLY A 43 -8.256 3.597 -12.792 1.00 0.00 N ATOM 589 CA GLY A 43 -9.447 3.179 -13.509 1.00 0.00 C ATOM 590 C GLY A 43 -10.392 2.372 -12.640 1.00 0.00 C ATOM 591 O GLY A 43 -11.003 2.905 -11.715 1.00 0.00 O ATOM 0 H GLY A 43 -8.210 3.289 -11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.968 4.059 -13.887 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.156 2.584 -14.375 1.00 0.00 H new ATOM 595 N GLY A 44 -10.515 1.083 -12.940 1.00 0.00 N ATOM 596 CA GLY A 44 -11.396 0.223 -12.172 1.00 0.00 C ATOM 597 C GLY A 44 -11.397 0.565 -10.695 1.00 0.00 C ATOM 598 O GLY A 44 -12.398 0.370 -10.006 1.00 0.00 O ATOM 0 H GLY A 44 -10.020 0.619 -13.701 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.411 0.306 -12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.089 -0.815 -12.301 1.00 0.00 H new ATOM 602 N GLY A 45 -10.272 1.077 -10.207 1.00 0.00 N ATOM 603 CA GLY A 45 -10.167 1.437 -8.805 1.00 0.00 C ATOM 604 C GLY A 45 -8.795 1.145 -8.232 1.00 0.00 C ATOM 605 O GLY A 45 -8.665 0.805 -7.056 1.00 0.00 O ATOM 0 H GLY A 45 -9.431 1.249 -10.758 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.388 2.498 -8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.919 0.890 -8.236 1.00 0.00 H new ATOM 609 N TRP A 46 -7.768 1.274 -9.064 1.00 0.00 N ATOM 610 CA TRP A 46 -6.398 1.020 -8.634 1.00 0.00 C ATOM 611 C TRP A 46 -5.621 2.324 -8.490 1.00 0.00 C ATOM 612 O TRP A 46 -6.150 3.405 -8.753 1.00 0.00 O ATOM 613 CB TRP A 46 -5.692 0.098 -9.629 1.00 0.00 C ATOM 614 CG TRP A 46 -6.320 -1.259 -9.731 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.642 -1.537 -9.930 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.652 -2.522 -9.637 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.836 -2.897 -9.965 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.631 -3.523 -9.789 1.00 0.00 C ATOM 619 CE3 TRP A 46 -4.322 -2.904 -9.442 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -6.320 -4.880 -9.750 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -4.015 -4.251 -9.403 1.00 0.00 C ATOM 622 CH2 TRP A 46 -5.010 -5.226 -9.557 1.00 0.00 C ATOM 0 H TRP A 46 -7.858 1.553 -10.041 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.434 0.532 -7.660 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.695 0.567 -10.613 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.649 -0.014 -9.333 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.420 -0.797 -10.043 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.732 -3.364 -10.100 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.548 -2.160 -9.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.086 -5.633 -9.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.991 -4.558 -9.251 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.738 -6.271 -9.523 1.00 0.00 H new ATOM 633 N LEU A 47 -4.365 2.216 -8.073 1.00 0.00 N ATOM 634 CA LEU A 47 -3.514 3.388 -7.895 1.00 0.00 C ATOM 635 C LEU A 47 -2.064 3.066 -8.241 1.00 0.00 C ATOM 636 O LEU A 47 -1.630 1.920 -8.132 1.00 0.00 O ATOM 637 CB LEU A 47 -3.606 3.895 -6.454 1.00 0.00 C ATOM 638 CG LEU A 47 -3.047 2.964 -5.378 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.565 3.229 -5.161 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.817 3.130 -4.076 1.00 0.00 C ATOM 0 H LEU A 47 -3.913 1.329 -7.852 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.865 4.167 -8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.080 4.848 -6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.653 4.094 -6.226 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.165 1.935 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.184 2.557 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.025 3.058 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.423 4.262 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.405 2.459 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.731 4.160 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.867 2.889 -4.241 1.00 0.00 H new ATOM 652 N GLU A 48 -1.320 4.087 -8.657 1.00 0.00 N ATOM 653 CA GLU A 48 0.082 3.912 -9.018 1.00 0.00 C ATOM 654 C GLU A 48 0.993 4.624 -8.023 1.00 0.00 C ATOM 655 O GLU A 48 0.929 5.843 -7.868 1.00 0.00 O ATOM 656 CB GLU A 48 0.338 4.442 -10.431 1.00 0.00 C ATOM 657 CG GLU A 48 1.522 3.787 -11.121 1.00 0.00 C ATOM 658 CD GLU A 48 1.384 3.776 -12.631 1.00 0.00 C ATOM 659 OE1 GLU A 48 0.357 3.269 -13.129 1.00 0.00 O ATOM 660 OE2 GLU A 48 2.302 4.274 -13.315 1.00 0.00 O ATOM 0 H GLU A 48 -1.665 5.042 -8.752 1.00 0.00 H new ATOM 0 HA GLU A 48 0.307 2.846 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.556 4.287 -11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.507 5.518 -10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.435 4.315 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.626 2.763 -10.762 1.00 0.00 H new ATOM 667 N GLY A 49 1.840 3.853 -7.348 1.00 0.00 N ATOM 668 CA GLY A 49 2.752 4.426 -6.376 1.00 0.00 C ATOM 669 C GLY A 49 4.204 4.143 -6.705 1.00 0.00 C ATOM 670 O GLY A 49 4.506 3.270 -7.519 1.00 0.00 O ATOM 0 H GLY A 49 1.911 2.841 -7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.597 5.504 -6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.522 4.027 -5.388 1.00 0.00 H new ATOM 674 N LYS A 50 5.108 4.883 -6.071 1.00 0.00 N ATOM 675 CA LYS A 50 6.537 4.708 -6.300 1.00 0.00 C ATOM 676 C LYS A 50 7.269 4.435 -4.990 1.00 0.00 C ATOM 677 O LYS A 50 7.020 5.092 -3.981 1.00 0.00 O ATOM 678 CB LYS A 50 7.123 5.951 -6.974 1.00 0.00 C ATOM 679 CG LYS A 50 8.613 5.851 -7.246 1.00 0.00 C ATOM 680 CD LYS A 50 9.146 7.111 -7.908 1.00 0.00 C ATOM 681 CE LYS A 50 9.587 8.138 -6.876 1.00 0.00 C ATOM 682 NZ LYS A 50 10.373 9.242 -7.494 1.00 0.00 N ATOM 0 H LYS A 50 4.876 5.610 -5.394 1.00 0.00 H new ATOM 0 HA LYS A 50 6.671 3.849 -6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.601 6.123 -7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.935 6.819 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.144 5.679 -6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.810 4.991 -7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.987 6.857 -8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.375 7.542 -8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.710 8.551 -6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.188 7.648 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.655 9.921 -6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.223 8.851 -7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.791 9.726 -8.207 1.00 0.00 H new ATOM 696 N ASN A 51 8.173 3.461 -5.014 1.00 0.00 N ATOM 697 CA ASN A 51 8.942 3.102 -3.828 1.00 0.00 C ATOM 698 C ASN A 51 10.222 3.928 -3.739 1.00 0.00 C ATOM 699 O ASN A 51 10.628 4.569 -4.707 1.00 0.00 O ATOM 700 CB ASN A 51 9.284 1.611 -3.848 1.00 0.00 C ATOM 701 CG ASN A 51 9.995 1.198 -5.123 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.348 2.039 -5.950 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.208 -0.102 -5.286 1.00 0.00 N ATOM 0 H ASN A 51 8.391 2.906 -5.842 1.00 0.00 H new ATOM 0 HA ASN A 51 8.331 3.316 -2.951 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.914 1.374 -2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.368 1.029 -3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.682 -0.440 -6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.898 -0.763 -4.574 1.00 0.00 H new ATOM 710 N ASN A 52 10.854 3.905 -2.570 1.00 0.00 N ATOM 711 CA ASN A 52 12.088 4.651 -2.353 1.00 0.00 C ATOM 712 C ASN A 52 13.119 4.322 -3.429 1.00 0.00 C ATOM 713 O ASN A 52 13.954 5.155 -3.780 1.00 0.00 O ATOM 714 CB ASN A 52 12.661 4.339 -0.970 1.00 0.00 C ATOM 715 CG ASN A 52 13.615 5.414 -0.483 1.00 0.00 C ATOM 716 OD1 ASN A 52 13.297 6.602 -0.515 1.00 0.00 O ATOM 717 ND2 ASN A 52 14.792 4.999 -0.030 1.00 0.00 N ATOM 0 H ASN A 52 10.532 3.378 -1.758 1.00 0.00 H new ATOM 0 HA ASN A 52 11.855 5.714 -2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.844 4.232 -0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.182 3.382 -1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.475 5.676 0.310 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.013 4.003 -0.022 1.00 0.00 H new ATOM 724 N LYS A 53 13.053 3.101 -3.949 1.00 0.00 N ATOM 725 CA LYS A 53 13.978 2.660 -4.987 1.00 0.00 C ATOM 726 C LYS A 53 13.892 3.563 -6.213 1.00 0.00 C ATOM 727 O LYS A 53 14.887 3.792 -6.898 1.00 0.00 O ATOM 728 CB LYS A 53 13.678 1.213 -5.385 1.00 0.00 C ATOM 729 CG LYS A 53 14.209 0.188 -4.398 1.00 0.00 C ATOM 730 CD LYS A 53 13.491 -1.144 -4.536 1.00 0.00 C ATOM 731 CE LYS A 53 13.776 -2.056 -3.353 1.00 0.00 C ATOM 732 NZ LYS A 53 13.007 -3.329 -3.436 1.00 0.00 N ATOM 0 H LYS A 53 12.368 2.399 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 53 14.990 2.718 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.600 1.088 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.110 1.018 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.277 0.045 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.088 0.564 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.417 -0.973 -4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.804 -1.634 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.842 -2.278 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.524 -1.539 -2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.229 -3.923 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.988 -3.119 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.266 -3.835 -4.307 1.00 0.00 H new ATOM 746 N GLY A 54 12.695 4.076 -6.481 1.00 0.00 N ATOM 747 CA GLY A 54 12.502 4.950 -7.624 1.00 0.00 C ATOM 748 C GLY A 54 11.701 4.292 -8.729 1.00 0.00 C ATOM 749 O GLY A 54 11.630 4.808 -9.844 1.00 0.00 O ATOM 0 H GLY A 54 11.856 3.902 -5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.992 5.858 -7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.474 5.252 -8.015 1.00 0.00 H new ATOM 753 N GLU A 55 11.099 3.147 -8.421 1.00 0.00 N ATOM 754 CA GLU A 55 10.302 2.416 -9.399 1.00 0.00 C ATOM 755 C GLU A 55 8.811 2.649 -9.169 1.00 0.00 C ATOM 756 O GLU A 55 8.364 2.792 -8.031 1.00 0.00 O ATOM 757 CB GLU A 55 10.613 0.920 -9.327 1.00 0.00 C ATOM 758 CG GLU A 55 11.934 0.541 -9.976 1.00 0.00 C ATOM 759 CD GLU A 55 12.213 -0.948 -9.903 1.00 0.00 C ATOM 760 OE1 GLU A 55 12.384 -1.466 -8.779 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.261 -1.594 -10.970 1.00 0.00 O ATOM 0 H GLU A 55 11.148 2.706 -7.503 1.00 0.00 H new ATOM 0 HA GLU A 55 10.561 2.786 -10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.629 0.611 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.808 0.366 -9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.925 0.855 -11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.744 1.083 -9.487 1.00 0.00 H new ATOM 768 N GLN A 56 8.049 2.686 -10.257 1.00 0.00 N ATOM 769 CA GLN A 56 6.610 2.902 -10.174 1.00 0.00 C ATOM 770 C GLN A 56 5.846 1.647 -10.581 1.00 0.00 C ATOM 771 O GLN A 56 6.273 0.909 -11.468 1.00 0.00 O ATOM 772 CB GLN A 56 6.197 4.076 -11.064 1.00 0.00 C ATOM 773 CG GLN A 56 6.254 5.422 -10.361 1.00 0.00 C ATOM 774 CD GLN A 56 6.085 6.587 -11.316 1.00 0.00 C ATOM 775 OE1 GLN A 56 5.004 6.806 -11.862 1.00 0.00 O ATOM 776 NE2 GLN A 56 7.157 7.344 -11.523 1.00 0.00 N ATOM 0 H GLN A 56 8.404 2.569 -11.206 1.00 0.00 H new ATOM 0 HA GLN A 56 6.363 3.135 -9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.847 4.104 -11.938 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.183 3.907 -11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.474 5.464 -9.601 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.209 5.517 -9.843 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.034 7.127 -11.050 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.103 8.143 -12.155 1.00 0.00 H new ATOM 785 N GLY A 57 4.713 1.410 -9.926 1.00 0.00 N ATOM 786 CA GLY A 57 3.908 0.242 -10.234 1.00 0.00 C ATOM 787 C GLY A 57 2.457 0.416 -9.832 1.00 0.00 C ATOM 788 O GLY A 57 2.126 1.297 -9.037 1.00 0.00 O ATOM 0 H GLY A 57 4.338 2.006 -9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.964 0.038 -11.303 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.322 -0.626 -9.722 1.00 0.00 H new ATOM 792 N LEU A 58 1.588 -0.423 -10.384 1.00 0.00 N ATOM 793 CA LEU A 58 0.162 -0.357 -10.080 1.00 0.00 C ATOM 794 C LEU A 58 -0.164 -1.160 -8.825 1.00 0.00 C ATOM 795 O LEU A 58 0.496 -2.153 -8.521 1.00 0.00 O ATOM 796 CB LEU A 58 -0.656 -0.882 -11.262 1.00 0.00 C ATOM 797 CG LEU A 58 -0.910 0.112 -12.396 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.725 -0.538 -13.502 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.616 1.353 -11.869 1.00 0.00 C ATOM 0 H LEU A 58 1.845 -1.157 -11.044 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.099 0.686 -9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.144 -1.751 -11.675 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.619 -1.228 -10.887 1.00 0.00 H new ATOM 0 HG LEU A 58 0.051 0.414 -12.811 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.896 0.184 -14.300 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.181 -1.395 -13.899 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.683 -0.869 -13.101 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.789 2.049 -12.690 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.571 1.068 -11.427 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.995 1.831 -11.112 1.00 0.00 H new ATOM 811 N VAL A 59 -1.189 -0.723 -8.099 1.00 0.00 N ATOM 812 CA VAL A 59 -1.606 -1.402 -6.878 1.00 0.00 C ATOM 813 C VAL A 59 -3.077 -1.137 -6.577 1.00 0.00 C ATOM 814 O VAL A 59 -3.576 -0.022 -6.729 1.00 0.00 O ATOM 815 CB VAL A 59 -0.758 -0.958 -5.672 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.262 -1.613 -4.395 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.710 -1.285 -5.904 1.00 0.00 C ATOM 0 H VAL A 59 -1.746 0.098 -8.336 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.459 -2.469 -7.043 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.854 0.122 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.651 -1.287 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.299 -1.325 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.198 -2.697 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.295 -0.964 -5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.826 -2.360 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.062 -0.765 -6.795 1.00 0.00 H new ATOM 827 N PRO A 60 -3.789 -2.185 -6.139 1.00 0.00 N ATOM 828 CA PRO A 60 -5.214 -2.091 -5.805 1.00 0.00 C ATOM 829 C PRO A 60 -5.460 -1.271 -4.543 1.00 0.00 C ATOM 830 O PRO A 60 -4.797 -1.465 -3.524 1.00 0.00 O ATOM 831 CB PRO A 60 -5.624 -3.549 -5.584 1.00 0.00 C ATOM 832 CG PRO A 60 -4.365 -4.241 -5.191 1.00 0.00 C ATOM 833 CD PRO A 60 -3.259 -3.544 -5.934 1.00 0.00 C ATOM 0 HA PRO A 60 -5.784 -1.588 -6.586 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.382 -3.633 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.048 -3.983 -6.490 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.208 -4.183 -4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.404 -5.299 -5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.334 -3.532 -5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.039 -4.036 -6.881 1.00 0.00 H new ATOM 841 N THR A 61 -6.419 -0.353 -4.618 1.00 0.00 N ATOM 842 CA THR A 61 -6.753 0.497 -3.482 1.00 0.00 C ATOM 843 C THR A 61 -7.401 -0.310 -2.363 1.00 0.00 C ATOM 844 O THR A 61 -7.492 0.151 -1.225 1.00 0.00 O ATOM 845 CB THR A 61 -7.704 1.637 -3.894 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.982 1.103 -4.255 1.00 0.00 O ATOM 847 CG2 THR A 61 -7.130 2.425 -5.061 1.00 0.00 C ATOM 0 H THR A 61 -6.978 -0.179 -5.453 1.00 0.00 H new ATOM 0 HA THR A 61 -5.818 0.926 -3.122 1.00 0.00 H new ATOM 0 HB THR A 61 -7.819 2.309 -3.044 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.005 0.935 -5.220 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.819 3.224 -5.334 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.171 2.855 -4.773 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.988 1.761 -5.914 1.00 0.00 H new ATOM 855 N ASP A 62 -7.849 -1.516 -2.693 1.00 0.00 N ATOM 856 CA ASP A 62 -8.487 -2.389 -1.714 1.00 0.00 C ATOM 857 C ASP A 62 -7.462 -2.944 -0.730 1.00 0.00 C ATOM 858 O ASP A 62 -7.792 -3.264 0.412 1.00 0.00 O ATOM 859 CB ASP A 62 -9.210 -3.538 -2.418 1.00 0.00 C ATOM 860 CG ASP A 62 -8.532 -3.941 -3.713 1.00 0.00 C ATOM 861 OD1 ASP A 62 -8.510 -3.118 -4.652 1.00 0.00 O ATOM 862 OD2 ASP A 62 -8.025 -5.080 -3.788 1.00 0.00 O ATOM 0 H ASP A 62 -7.782 -1.912 -3.631 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.215 -1.798 -1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.254 -4.399 -1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.239 -3.243 -2.626 1.00 0.00 H new ATOM 867 N TYR A 63 -6.217 -3.055 -1.181 1.00 0.00 N ATOM 868 CA TYR A 63 -5.144 -3.575 -0.342 1.00 0.00 C ATOM 869 C TYR A 63 -4.507 -2.459 0.481 1.00 0.00 C ATOM 870 O TYR A 63 -4.046 -2.683 1.600 1.00 0.00 O ATOM 871 CB TYR A 63 -4.081 -4.259 -1.203 1.00 0.00 C ATOM 872 CG TYR A 63 -4.408 -5.696 -1.541 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.630 -6.035 -2.110 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.498 -6.715 -1.290 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.934 -7.347 -2.420 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.792 -8.029 -1.598 1.00 0.00 C ATOM 877 CZ TYR A 63 -5.012 -8.340 -2.162 1.00 0.00 C ATOM 878 OH TYR A 63 -5.310 -9.648 -2.469 1.00 0.00 O ATOM 0 H TYR A 63 -5.926 -2.792 -2.123 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.574 -4.307 0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.957 -3.696 -2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.125 -4.226 -0.680 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.354 -5.260 -2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.543 -6.475 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.888 -7.593 -2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.071 -8.808 -1.399 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.554 -10.222 -2.226 1.00 0.00 H new ATOM 888 N VAL A 64 -4.486 -1.255 -0.083 1.00 0.00 N ATOM 889 CA VAL A 64 -3.909 -0.102 0.598 1.00 0.00 C ATOM 890 C VAL A 64 -4.885 1.068 0.622 1.00 0.00 C ATOM 891 O VAL A 64 -5.478 1.415 -0.399 1.00 0.00 O ATOM 892 CB VAL A 64 -2.600 0.349 -0.077 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.704 -0.847 -0.361 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.897 1.118 -1.355 1.00 0.00 C ATOM 0 H VAL A 64 -4.862 -1.053 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.695 -0.412 1.621 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.071 1.014 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.784 -0.508 -0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.463 -1.351 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.222 -1.540 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.961 1.429 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.449 0.479 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.495 1.998 -1.119 1.00 0.00 H new ATOM 904 N GLU A 65 -5.047 1.672 1.795 1.00 0.00 N ATOM 905 CA GLU A 65 -5.953 2.804 1.952 1.00 0.00 C ATOM 906 C GLU A 65 -5.173 4.104 2.127 1.00 0.00 C ATOM 907 O GLU A 65 -4.478 4.294 3.125 1.00 0.00 O ATOM 908 CB GLU A 65 -6.876 2.585 3.152 1.00 0.00 C ATOM 909 CG GLU A 65 -7.721 3.799 3.500 1.00 0.00 C ATOM 910 CD GLU A 65 -8.973 3.435 4.275 1.00 0.00 C ATOM 911 OE1 GLU A 65 -9.698 2.519 3.834 1.00 0.00 O ATOM 912 OE2 GLU A 65 -9.228 4.067 5.321 1.00 0.00 O ATOM 0 H GLU A 65 -4.563 1.397 2.650 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.557 2.881 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.535 1.742 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.273 2.312 4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.124 4.496 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.003 4.316 2.583 1.00 0.00 H new ATOM 919 N ILE A 66 -5.294 4.996 1.149 1.00 0.00 N ATOM 920 CA ILE A 66 -4.602 6.278 1.194 1.00 0.00 C ATOM 921 C ILE A 66 -4.963 7.053 2.457 1.00 0.00 C ATOM 922 O ILE A 66 -6.127 7.105 2.855 1.00 0.00 O ATOM 923 CB ILE A 66 -4.935 7.141 -0.037 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.435 6.462 -1.314 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.324 8.527 0.107 1.00 0.00 C ATOM 926 CD1 ILE A 66 -4.808 7.204 -2.578 1.00 0.00 C ATOM 0 H ILE A 66 -5.865 4.854 0.316 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.534 6.060 1.197 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.018 7.248 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.350 6.367 -1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.842 5.452 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.568 9.125 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.724 9.010 0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.241 8.440 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.421 6.666 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.893 7.276 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.379 8.206 -2.552 1.00 0.00 H new ATOM 938 N LEU A 67 -3.957 7.654 3.083 1.00 0.00 N ATOM 939 CA LEU A 67 -4.168 8.429 4.300 1.00 0.00 C ATOM 940 C LEU A 67 -4.234 9.921 3.992 1.00 0.00 C ATOM 941 O LEU A 67 -3.541 10.429 3.109 1.00 0.00 O ATOM 942 CB LEU A 67 -3.046 8.154 5.304 1.00 0.00 C ATOM 943 CG LEU A 67 -2.642 6.689 5.473 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.291 6.584 6.164 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.704 5.930 6.256 1.00 0.00 C ATOM 0 H LEU A 67 -2.988 7.619 2.768 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.120 8.124 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.166 8.720 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.353 8.540 6.276 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.557 6.239 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.020 5.534 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.535 7.092 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.348 7.050 7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.400 4.889 6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.821 6.381 7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.653 5.976 5.721 1.00 0.00 H new ATOM 957 N PRO A 68 -5.085 10.643 4.736 1.00 0.00 N ATOM 958 CA PRO A 68 -5.260 12.088 4.562 1.00 0.00 C ATOM 959 C PRO A 68 -4.038 12.879 5.017 1.00 0.00 C ATOM 960 O PRO A 68 -3.021 12.302 5.400 1.00 0.00 O ATOM 961 CB PRO A 68 -6.466 12.408 5.450 1.00 0.00 C ATOM 962 CG PRO A 68 -6.470 11.337 6.484 1.00 0.00 C ATOM 963 CD PRO A 68 -5.942 10.103 5.805 1.00 0.00 C ATOM 0 HA PRO A 68 -5.400 12.359 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.373 13.395 5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.392 12.407 4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.845 11.613 7.333 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.476 11.170 6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.377 9.475 6.494 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.748 9.489 5.403 1.00 0.00 H new ATOM 971 N ASN A 69 -4.146 14.203 4.973 1.00 0.00 N ATOM 972 CA ASN A 69 -3.049 15.073 5.381 1.00 0.00 C ATOM 973 C ASN A 69 -3.577 16.409 5.896 1.00 0.00 C ATOM 974 O ASN A 69 -4.744 16.746 5.694 1.00 0.00 O ATOM 975 CB ASN A 69 -2.093 15.306 4.210 1.00 0.00 C ATOM 976 CG ASN A 69 -1.900 14.062 3.365 1.00 0.00 C ATOM 977 OD1 ASN A 69 -1.061 13.214 3.670 1.00 0.00 O ATOM 978 ND2 ASN A 69 -2.677 13.948 2.294 1.00 0.00 N ATOM 0 H ASN A 69 -4.982 14.697 4.659 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.509 14.581 6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.479 16.111 3.584 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.127 15.635 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.592 13.133 1.686 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.359 14.675 2.079 1.00 0.00 H new ATOM 985 N ASP A 70 -2.710 17.165 6.560 1.00 0.00 N ATOM 986 CA ASP A 70 -3.087 18.465 7.102 1.00 0.00 C ATOM 987 C ASP A 70 -2.707 19.586 6.140 1.00 0.00 C ATOM 988 O ASP A 70 -1.596 19.616 5.613 1.00 0.00 O ATOM 989 CB ASP A 70 -2.415 18.690 8.458 1.00 0.00 C ATOM 990 CG ASP A 70 -2.341 17.422 9.285 1.00 0.00 C ATOM 991 OD1 ASP A 70 -3.369 16.721 9.391 1.00 0.00 O ATOM 992 OD2 ASP A 70 -1.253 17.130 9.825 1.00 0.00 O ATOM 0 H ASP A 70 -1.741 16.900 6.736 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.169 18.476 7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.408 19.077 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.966 19.450 9.012 1.00 0.00 H new ATOM 997 N GLY A 71 -3.640 20.506 5.913 1.00 0.00 N ATOM 998 CA GLY A 71 -3.385 21.616 5.014 1.00 0.00 C ATOM 999 C GLY A 71 -2.641 22.750 5.689 1.00 0.00 C ATOM 1000 O GLY A 71 -1.944 22.542 6.682 1.00 0.00 O ATOM 0 H GLY A 71 -4.568 20.502 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.806 21.263 4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.332 21.988 4.624 1.00 0.00 H new ATOM 1004 N LYS A 72 -2.786 23.956 5.149 1.00 0.00 N ATOM 1005 CA LYS A 72 -2.123 25.129 5.705 1.00 0.00 C ATOM 1006 C LYS A 72 -3.124 26.036 6.413 1.00 0.00 C ATOM 1007 O LYS A 72 -4.076 26.521 5.801 1.00 0.00 O ATOM 1008 CB LYS A 72 -1.407 25.907 4.599 1.00 0.00 C ATOM 1009 CG LYS A 72 -0.321 25.109 3.898 1.00 0.00 C ATOM 1010 CD LYS A 72 1.023 25.271 4.588 1.00 0.00 C ATOM 1011 CE LYS A 72 1.742 26.527 4.119 1.00 0.00 C ATOM 1012 NZ LYS A 72 3.203 26.469 4.406 1.00 0.00 N ATOM 0 H LYS A 72 -3.358 24.146 4.326 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.389 24.788 6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.141 26.232 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.966 26.807 5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.597 24.055 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.240 25.435 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.876 25.316 5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.644 24.398 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.587 26.656 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.309 27.398 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.657 27.343 4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.352 26.372 5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.621 25.652 3.916 1.00 0.00 H new ATOM 1026 N ASP A 73 -2.902 26.262 7.703 1.00 0.00 N ATOM 1027 CA ASP A 73 -3.783 27.114 8.493 1.00 0.00 C ATOM 1028 C ASP A 73 -3.988 28.464 7.813 1.00 0.00 C ATOM 1029 O ASP A 73 -3.067 29.040 7.233 1.00 0.00 O ATOM 1030 CB ASP A 73 -3.208 27.317 9.895 1.00 0.00 C ATOM 1031 CG ASP A 73 -4.288 27.519 10.940 1.00 0.00 C ATOM 1032 OD1 ASP A 73 -4.759 26.512 11.509 1.00 0.00 O ATOM 1033 OD2 ASP A 73 -4.662 28.684 11.189 1.00 0.00 O ATOM 0 H ASP A 73 -2.119 25.867 8.224 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.750 26.618 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.603 26.452 10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.544 28.182 9.891 1.00 0.00 H new ATOM 1038 N PRO A 74 -5.224 28.981 7.883 1.00 0.00 N ATOM 1039 CA PRO A 74 -5.578 30.268 7.279 1.00 0.00 C ATOM 1040 C PRO A 74 -4.939 31.446 8.007 1.00 0.00 C ATOM 1041 O PRO A 74 -4.716 31.394 9.217 1.00 0.00 O ATOM 1042 CB PRO A 74 -7.102 30.318 7.418 1.00 0.00 C ATOM 1043 CG PRO A 74 -7.405 29.438 8.582 1.00 0.00 C ATOM 1044 CD PRO A 74 -6.370 28.348 8.557 1.00 0.00 C ATOM 0 HA PRO A 74 -5.227 30.345 6.250 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.451 31.336 7.590 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.594 29.961 6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.360 29.997 9.516 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.410 29.023 8.507 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.112 28.016 9.563 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.722 27.472 8.013 1.00 0.00 H new ATOM 1052 N PHE A 75 -4.645 32.507 7.263 1.00 0.00 N ATOM 1053 CA PHE A 75 -4.031 33.698 7.838 1.00 0.00 C ATOM 1054 C PHE A 75 -4.577 34.963 7.182 1.00 0.00 C ATOM 1055 O PHE A 75 -5.116 34.919 6.076 1.00 0.00 O ATOM 1056 CB PHE A 75 -2.510 33.642 7.675 1.00 0.00 C ATOM 1057 CG PHE A 75 -1.833 32.751 8.677 1.00 0.00 C ATOM 1058 CD1 PHE A 75 -2.052 32.921 10.034 1.00 0.00 C ATOM 1059 CD2 PHE A 75 -0.976 31.745 8.261 1.00 0.00 C ATOM 1060 CE1 PHE A 75 -1.430 32.102 10.959 1.00 0.00 C ATOM 1061 CE2 PHE A 75 -0.352 30.923 9.180 1.00 0.00 C ATOM 1062 CZ PHE A 75 -0.578 31.103 10.531 1.00 0.00 C ATOM 0 H PHE A 75 -4.822 32.566 6.260 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.276 33.726 8.900 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.273 33.292 6.670 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.105 34.650 7.765 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.716 33.702 10.374 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.794 31.602 7.206 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.610 32.244 12.014 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.312 30.141 8.842 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.089 30.464 11.251 1.00 0.00 H new ATOM 1072 N SER A 76 -4.434 36.089 7.873 1.00 0.00 N ATOM 1073 CA SER A 76 -4.917 37.366 7.361 1.00 0.00 C ATOM 1074 C SER A 76 -4.310 37.668 5.995 1.00 0.00 C ATOM 1075 O SER A 76 -3.093 37.791 5.858 1.00 0.00 O ATOM 1076 CB SER A 76 -4.582 38.492 8.341 1.00 0.00 C ATOM 1077 OG SER A 76 -5.105 38.220 9.630 1.00 0.00 O ATOM 0 H SER A 76 -3.988 36.143 8.789 1.00 0.00 H new ATOM 0 HA SER A 76 -5.999 37.299 7.251 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.501 38.615 8.403 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.989 39.433 7.971 1.00 0.00 H new ATOM 0 HG SER A 76 -4.876 38.954 10.238 1.00 0.00 H new ATOM 1083 N CYS A 77 -5.168 37.787 4.987 1.00 0.00 N ATOM 1084 CA CYS A 77 -4.717 38.073 3.629 1.00 0.00 C ATOM 1085 C CYS A 77 -5.499 39.239 3.032 1.00 0.00 C ATOM 1086 O CYS A 77 -6.417 39.768 3.657 1.00 0.00 O ATOM 1087 CB CYS A 77 -4.871 36.834 2.746 1.00 0.00 C ATOM 1088 SG CYS A 77 -4.207 37.032 1.076 1.00 0.00 S ATOM 0 H CYS A 77 -6.179 37.690 5.084 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.664 38.349 3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.371 35.993 3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.928 36.579 2.677 1.00 0.00 H new ATOM 0 HG CYS A 77 -4.382 35.932 0.406 1.00 0.00 H new TER 1094 CYS A 77