USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 647 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 Single : A 1 GLY N :NH3+ -122:sc= 0.0662 (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 -25:sc= 0.503 USER MOD Single : A 6 SER OG : rot 30:sc= 0.41 USER MOD Single : A 12 THR OG1 : rot 46:sc= 0.429 USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= -0.0678 (180deg=-0.382) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 30:sc= 0.207 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 28 GLN : amide:sc= -2.86! C(o=-2.9!,f=-8!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -129:sc= -0.0241 (180deg=-1.04) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.332 K(o=-0.33,f=-2.4!) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= -0.389 (180deg=-0.633) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -68:sc= -0.51 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 60 GLN : amide:sc= -9.38! C(o=-9.4!,f=-13!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 0:sc= -1.69! USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 67 ASN : amide:sc= -1.47! X(o=-1.5!,f=-1.7) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 49:sc= 0.524 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0023 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -48.316 11.823 -2.370 1.00 0.00 N ATOM 2 CA GLY A 1 -49.151 11.227 -1.343 1.00 0.00 C ATOM 3 C GLY A 1 -50.040 12.245 -0.656 1.00 0.00 C ATOM 4 O GLY A 1 -50.204 13.364 -1.142 1.00 0.00 O ATOM 0 H1 GLY A 1 -48.505 11.361 -3.282 1.00 0.00 H new ATOM 0 H2 GLY A 1 -48.529 12.838 -2.445 1.00 0.00 H new ATOM 0 H3 GLY A 1 -47.315 11.697 -2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -49.771 10.450 -1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -48.518 10.742 -0.600 1.00 0.00 H new ATOM 8 N SER A 2 -50.617 11.856 0.476 1.00 0.00 N ATOM 9 CA SER A 2 -51.498 12.741 1.228 1.00 0.00 C ATOM 10 C SER A 2 -50.959 12.977 2.636 1.00 0.00 C ATOM 11 O SER A 2 -50.334 12.098 3.229 1.00 0.00 O ATOM 12 CB SER A 2 -52.907 12.149 1.303 1.00 0.00 C ATOM 13 OG SER A 2 -53.488 12.052 0.014 1.00 0.00 O ATOM 0 H SER A 2 -50.490 10.934 0.893 1.00 0.00 H new ATOM 0 HA SER A 2 -51.540 13.698 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 2 -52.866 11.161 1.762 1.00 0.00 H new ATOM 0 HB3 SER A 2 -53.533 12.772 1.942 1.00 0.00 H new ATOM 0 HG SER A 2 -54.387 11.669 0.088 1.00 0.00 H new ATOM 19 N SER A 3 -51.204 14.172 3.164 1.00 0.00 N ATOM 20 CA SER A 3 -50.740 14.527 4.500 1.00 0.00 C ATOM 21 C SER A 3 -51.844 15.222 5.292 1.00 0.00 C ATOM 22 O SER A 3 -52.614 16.010 4.745 1.00 0.00 O ATOM 23 CB SER A 3 -49.512 15.435 4.412 1.00 0.00 C ATOM 24 OG SER A 3 -48.698 15.305 5.564 1.00 0.00 O ATOM 0 H SER A 3 -51.721 14.911 2.687 1.00 0.00 H new ATOM 0 HA SER A 3 -50.467 13.608 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 3 -48.933 15.184 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 3 -49.830 16.472 4.303 1.00 0.00 H new ATOM 0 HG SER A 3 -47.919 15.894 5.482 1.00 0.00 H new ATOM 30 N GLY A 4 -51.915 14.921 6.585 1.00 0.00 N ATOM 31 CA GLY A 4 -52.927 15.524 7.432 1.00 0.00 C ATOM 32 C GLY A 4 -52.455 15.705 8.861 1.00 0.00 C ATOM 33 O GLY A 4 -52.889 14.986 9.761 1.00 0.00 O ATOM 0 H GLY A 4 -51.290 14.270 7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -53.210 16.493 7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -53.821 14.901 7.424 1.00 0.00 H new ATOM 37 N SER A 5 -51.563 16.667 9.071 1.00 0.00 N ATOM 38 CA SER A 5 -51.027 16.937 10.400 1.00 0.00 C ATOM 39 C SER A 5 -50.443 18.344 10.475 1.00 0.00 C ATOM 40 O SER A 5 -50.412 19.069 9.481 1.00 0.00 O ATOM 41 CB SER A 5 -49.953 15.907 10.758 1.00 0.00 C ATOM 42 OG SER A 5 -50.431 14.586 10.573 1.00 0.00 O ATOM 0 H SER A 5 -51.196 17.273 8.337 1.00 0.00 H new ATOM 0 HA SER A 5 -51.845 16.864 11.117 1.00 0.00 H new ATOM 0 HB2 SER A 5 -49.070 16.068 10.139 1.00 0.00 H new ATOM 0 HB3 SER A 5 -49.645 16.044 11.795 1.00 0.00 H new ATOM 0 HG SER A 5 -51.408 14.579 10.644 1.00 0.00 H new ATOM 48 N SER A 6 -49.981 18.724 11.662 1.00 0.00 N ATOM 49 CA SER A 6 -49.402 20.046 11.870 1.00 0.00 C ATOM 50 C SER A 6 -48.185 19.968 12.787 1.00 0.00 C ATOM 51 O SER A 6 -48.269 19.464 13.907 1.00 0.00 O ATOM 52 CB SER A 6 -50.443 20.994 12.466 1.00 0.00 C ATOM 53 OG SER A 6 -50.860 20.555 13.747 1.00 0.00 O ATOM 0 H SER A 6 -49.996 18.135 12.494 1.00 0.00 H new ATOM 0 HA SER A 6 -49.082 20.431 10.902 1.00 0.00 H new ATOM 0 HB2 SER A 6 -50.025 21.998 12.541 1.00 0.00 H new ATOM 0 HB3 SER A 6 -51.305 21.057 11.802 1.00 0.00 H new ATOM 0 HG SER A 6 -50.124 20.078 14.185 1.00 0.00 H new ATOM 59 N GLY A 7 -47.053 20.470 12.303 1.00 0.00 N ATOM 60 CA GLY A 7 -45.835 20.448 13.091 1.00 0.00 C ATOM 61 C GLY A 7 -44.587 20.508 12.232 1.00 0.00 C ATOM 62 O GLY A 7 -44.626 20.185 11.046 1.00 0.00 O ATOM 0 H GLY A 7 -46.958 20.892 11.379 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -45.838 21.291 13.782 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -45.813 19.541 13.695 1.00 0.00 H new ATOM 66 N GLY A 8 -43.477 20.925 12.832 1.00 0.00 N ATOM 67 CA GLY A 8 -42.228 21.020 12.099 1.00 0.00 C ATOM 68 C GLY A 8 -41.240 21.964 12.756 1.00 0.00 C ATOM 69 O GLY A 8 -41.628 22.835 13.534 1.00 0.00 O ATOM 0 H GLY A 8 -43.420 21.199 13.813 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -41.781 20.029 12.019 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -42.431 21.361 11.084 1.00 0.00 H new ATOM 73 N GLU A 9 -39.960 21.789 12.444 1.00 0.00 N ATOM 74 CA GLU A 9 -38.914 22.631 13.012 1.00 0.00 C ATOM 75 C GLU A 9 -37.829 22.923 11.979 1.00 0.00 C ATOM 76 O GLU A 9 -37.499 22.090 11.135 1.00 0.00 O ATOM 77 CB GLU A 9 -38.296 21.956 14.239 1.00 0.00 C ATOM 78 CG GLU A 9 -39.239 21.875 15.428 1.00 0.00 C ATOM 79 CD GLU A 9 -38.967 20.670 16.307 1.00 0.00 C ATOM 80 OE1 GLU A 9 -37.967 20.692 17.054 1.00 0.00 O ATOM 81 OE2 GLU A 9 -39.756 19.703 16.247 1.00 0.00 O ATOM 0 H GLU A 9 -39.623 21.072 11.801 1.00 0.00 H new ATOM 0 HA GLU A 9 -39.367 23.575 13.314 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -37.979 20.949 13.968 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -37.401 22.504 14.533 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -39.146 22.783 16.024 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -40.267 21.834 15.069 1.00 0.00 H new ATOM 88 N PRO A 10 -37.261 24.137 12.046 1.00 0.00 N ATOM 89 CA PRO A 10 -36.206 24.568 11.125 1.00 0.00 C ATOM 90 C PRO A 10 -34.892 23.832 11.363 1.00 0.00 C ATOM 91 O PRO A 10 -34.838 22.870 12.127 1.00 0.00 O ATOM 92 CB PRO A 10 -36.049 26.058 11.439 1.00 0.00 C ATOM 93 CG PRO A 10 -36.515 26.200 12.846 1.00 0.00 C ATOM 94 CD PRO A 10 -37.605 25.180 13.026 1.00 0.00 C ATOM 0 HA PRO A 10 -36.463 24.362 10.086 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -35.013 26.378 11.331 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -36.644 26.670 10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -35.698 26.026 13.547 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -36.888 27.207 13.034 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -37.623 24.786 14.042 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -38.590 25.605 12.831 1.00 0.00 H new ATOM 102 N GLY A 11 -33.833 24.292 10.702 1.00 0.00 N ATOM 103 CA GLY A 11 -32.534 23.665 10.856 1.00 0.00 C ATOM 104 C GLY A 11 -31.786 23.550 9.542 1.00 0.00 C ATOM 105 O GLY A 11 -32.150 22.749 8.680 1.00 0.00 O ATOM 0 H GLY A 11 -33.852 25.087 10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -31.937 24.243 11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -32.662 22.672 11.286 1.00 0.00 H new ATOM 109 N THR A 12 -30.738 24.353 9.387 1.00 0.00 N ATOM 110 CA THR A 12 -29.939 24.340 8.168 1.00 0.00 C ATOM 111 C THR A 12 -28.454 24.208 8.485 1.00 0.00 C ATOM 112 O THR A 12 -27.779 25.199 8.766 1.00 0.00 O ATOM 113 CB THR A 12 -30.164 25.616 7.336 1.00 0.00 C ATOM 114 OG1 THR A 12 -29.996 26.775 8.160 1.00 0.00 O ATOM 115 CG2 THR A 12 -31.555 25.623 6.720 1.00 0.00 C ATOM 0 H THR A 12 -30.423 25.021 10.091 1.00 0.00 H new ATOM 0 HA THR A 12 -30.261 23.475 7.588 1.00 0.00 H new ATOM 0 HB THR A 12 -29.428 25.633 6.532 1.00 0.00 H new ATOM 0 HG1 THR A 12 -29.183 26.678 8.699 1.00 0.00 H new ATOM 0 HG21 THR A 12 -31.690 26.534 6.137 1.00 0.00 H new ATOM 0 HG22 THR A 12 -31.669 24.756 6.070 1.00 0.00 H new ATOM 0 HG23 THR A 12 -32.304 25.584 7.511 1.00 0.00 H new ATOM 123 N LYS A 13 -27.950 22.980 8.439 1.00 0.00 N ATOM 124 CA LYS A 13 -26.543 22.718 8.719 1.00 0.00 C ATOM 125 C LYS A 13 -26.183 21.273 8.392 1.00 0.00 C ATOM 126 O LYS A 13 -26.625 20.345 9.070 1.00 0.00 O ATOM 127 CB LYS A 13 -26.231 23.013 10.188 1.00 0.00 C ATOM 128 CG LYS A 13 -24.762 23.290 10.454 1.00 0.00 C ATOM 129 CD LYS A 13 -24.438 24.767 10.313 1.00 0.00 C ATOM 130 CE LYS A 13 -23.289 25.175 11.223 1.00 0.00 C ATOM 131 NZ LYS A 13 -23.676 25.126 12.660 1.00 0.00 N ATOM 0 H LYS A 13 -28.496 22.149 8.210 1.00 0.00 H new ATOM 0 HA LYS A 13 -25.944 23.374 8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -26.818 23.873 10.510 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -26.548 22.165 10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -24.504 22.954 11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -24.151 22.715 9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.179 24.986 9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -25.321 25.359 10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -22.439 24.514 11.053 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.965 26.184 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -23.064 25.765 13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.667 25.424 12.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -23.568 24.155 13.016 1.00 0.00 H new ATOM 145 N ALA A 14 -25.378 21.089 7.351 1.00 0.00 N ATOM 146 CA ALA A 14 -24.956 19.756 6.938 1.00 0.00 C ATOM 147 C ALA A 14 -23.815 19.830 5.929 1.00 0.00 C ATOM 148 O ALA A 14 -23.793 20.705 5.063 1.00 0.00 O ATOM 149 CB ALA A 14 -26.131 18.988 6.352 1.00 0.00 C ATOM 0 H ALA A 14 -25.005 21.846 6.778 1.00 0.00 H new ATOM 0 HA ALA A 14 -24.594 19.227 7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -25.801 17.995 6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -26.916 18.896 7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -26.519 19.523 5.485 1.00 0.00 H new ATOM 155 N LYS A 15 -22.866 18.907 6.046 1.00 0.00 N ATOM 156 CA LYS A 15 -21.721 18.867 5.145 1.00 0.00 C ATOM 157 C LYS A 15 -21.546 17.473 4.549 1.00 0.00 C ATOM 158 O LYS A 15 -20.812 16.645 5.087 1.00 0.00 O ATOM 159 CB LYS A 15 -20.447 19.280 5.886 1.00 0.00 C ATOM 160 CG LYS A 15 -20.389 20.761 6.216 1.00 0.00 C ATOM 161 CD LYS A 15 -19.544 21.024 7.451 1.00 0.00 C ATOM 162 CE LYS A 15 -19.541 22.500 7.821 1.00 0.00 C ATOM 163 NZ LYS A 15 -19.319 22.706 9.278 1.00 0.00 N ATOM 0 H LYS A 15 -22.868 18.176 6.757 1.00 0.00 H new ATOM 0 HA LYS A 15 -21.905 19.570 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -20.372 18.707 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.581 19.018 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.976 21.308 5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -21.399 21.139 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.928 20.439 8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.522 20.691 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.761 23.014 7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.491 22.949 7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.324 23.724 9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.077 22.237 9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.401 22.300 9.550 1.00 0.00 H new ATOM 177 N LYS A 16 -22.225 17.222 3.435 1.00 0.00 N ATOM 178 CA LYS A 16 -22.143 15.930 2.764 1.00 0.00 C ATOM 179 C LYS A 16 -21.097 15.958 1.655 1.00 0.00 C ATOM 180 O LYS A 16 -20.504 16.999 1.374 1.00 0.00 O ATOM 181 CB LYS A 16 -23.506 15.546 2.185 1.00 0.00 C ATOM 182 CG LYS A 16 -24.572 15.311 3.241 1.00 0.00 C ATOM 183 CD LYS A 16 -24.631 13.852 3.660 1.00 0.00 C ATOM 184 CE LYS A 16 -23.772 13.590 4.888 1.00 0.00 C ATOM 185 NZ LYS A 16 -24.537 13.780 6.151 1.00 0.00 N ATOM 0 H LYS A 16 -22.838 17.896 2.978 1.00 0.00 H new ATOM 0 HA LYS A 16 -21.845 15.184 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -23.841 16.336 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -23.395 14.642 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -24.365 15.932 4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.543 15.619 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -25.664 13.574 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -24.293 13.222 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -23.383 12.573 4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.913 14.260 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -23.917 13.592 6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -24.887 14.758 6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -25.343 13.123 6.171 1.00 0.00 H new ATOM 199 N GLY A 17 -20.877 14.808 1.025 1.00 0.00 N ATOM 200 CA GLY A 17 -19.903 14.724 -0.048 1.00 0.00 C ATOM 201 C GLY A 17 -18.668 13.940 0.351 1.00 0.00 C ATOM 202 O GLY A 17 -17.677 14.517 0.798 1.00 0.00 O ATOM 0 H GLY A 17 -21.356 13.933 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -20.363 14.254 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.610 15.730 -0.348 1.00 0.00 H new ATOM 206 N ARG A 18 -18.727 12.623 0.189 1.00 0.00 N ATOM 207 CA ARG A 18 -17.605 11.759 0.538 1.00 0.00 C ATOM 208 C ARG A 18 -17.708 10.417 -0.182 1.00 0.00 C ATOM 209 O ARG A 18 -18.778 9.813 -0.239 1.00 0.00 O ATOM 210 CB ARG A 18 -17.557 11.536 2.051 1.00 0.00 C ATOM 211 CG ARG A 18 -16.346 10.742 2.511 1.00 0.00 C ATOM 212 CD ARG A 18 -15.066 11.553 2.382 1.00 0.00 C ATOM 213 NE ARG A 18 -13.897 10.702 2.176 1.00 0.00 N ATOM 214 CZ ARG A 18 -12.658 11.067 2.486 1.00 0.00 C ATOM 215 NH1 ARG A 18 -12.428 12.261 3.013 1.00 0.00 N ATOM 216 NH2 ARG A 18 -11.646 10.237 2.268 1.00 0.00 N ATOM 0 H ARG A 18 -19.540 12.130 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.686 12.252 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -17.558 12.504 2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -18.462 11.015 2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.482 10.438 3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.261 9.830 1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.160 12.248 1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.924 12.152 3.282 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.040 9.776 1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.203 12.902 3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.476 12.539 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.819 9.317 1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.695 10.519 2.506 1.00 0.00 H new ATOM 230 N ARG A 19 -16.587 9.959 -0.730 1.00 0.00 N ATOM 231 CA ARG A 19 -16.551 8.690 -1.447 1.00 0.00 C ATOM 232 C ARG A 19 -15.807 7.630 -0.640 1.00 0.00 C ATOM 233 O ARG A 19 -14.697 7.865 -0.164 1.00 0.00 O ATOM 234 CB ARG A 19 -15.883 8.871 -2.811 1.00 0.00 C ATOM 235 CG ARG A 19 -15.756 7.579 -3.603 1.00 0.00 C ATOM 236 CD ARG A 19 -14.584 7.631 -4.571 1.00 0.00 C ATOM 237 NE ARG A 19 -14.834 8.541 -5.685 1.00 0.00 N ATOM 238 CZ ARG A 19 -15.567 8.220 -6.746 1.00 0.00 C ATOM 239 NH1 ARG A 19 -16.119 7.018 -6.835 1.00 0.00 N ATOM 240 NH2 ARG A 19 -15.749 9.102 -7.720 1.00 0.00 N ATOM 0 H ARG A 19 -15.692 10.447 -0.691 1.00 0.00 H new ATOM 0 HA ARG A 19 -17.578 8.354 -1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.457 9.590 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.891 9.298 -2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -15.626 6.742 -2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.678 7.398 -4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -13.688 7.948 -4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -14.388 6.631 -4.957 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.424 9.474 -5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -15.982 6.337 -6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -16.681 6.774 -7.650 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.326 10.028 -7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.312 8.854 -8.534 1.00 0.00 H new ATOM 254 N SER A 20 -16.427 6.464 -0.491 1.00 0.00 N ATOM 255 CA SER A 20 -15.826 5.370 0.262 1.00 0.00 C ATOM 256 C SER A 20 -15.427 4.227 -0.666 1.00 0.00 C ATOM 257 O SER A 20 -16.277 3.611 -1.311 1.00 0.00 O ATOM 258 CB SER A 20 -16.799 4.861 1.327 1.00 0.00 C ATOM 259 OG SER A 20 -17.023 5.842 2.325 1.00 0.00 O ATOM 0 H SER A 20 -17.345 6.253 -0.882 1.00 0.00 H new ATOM 0 HA SER A 20 -14.928 5.748 0.751 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.746 4.591 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.400 3.956 1.785 1.00 0.00 H new ATOM 0 HG SER A 20 -17.650 5.492 2.993 1.00 0.00 H new ATOM 265 N ARG A 21 -14.129 3.949 -0.729 1.00 0.00 N ATOM 266 CA ARG A 21 -13.616 2.882 -1.579 1.00 0.00 C ATOM 267 C ARG A 21 -13.004 1.765 -0.739 1.00 0.00 C ATOM 268 O ARG A 21 -13.273 0.584 -0.964 1.00 0.00 O ATOM 269 CB ARG A 21 -12.573 3.433 -2.552 1.00 0.00 C ATOM 270 CG ARG A 21 -11.399 4.113 -1.867 1.00 0.00 C ATOM 271 CD ARG A 21 -10.746 5.144 -2.773 1.00 0.00 C ATOM 272 NE ARG A 21 -11.348 6.466 -2.622 1.00 0.00 N ATOM 273 CZ ARG A 21 -10.832 7.573 -3.144 1.00 0.00 C ATOM 274 NH1 ARG A 21 -9.710 7.517 -3.848 1.00 0.00 N ATOM 275 NH2 ARG A 21 -11.439 8.739 -2.963 1.00 0.00 N ATOM 0 H ARG A 21 -13.413 4.448 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.451 2.471 -2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.199 2.617 -3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.054 4.146 -3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.741 4.596 -0.952 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.662 3.364 -1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.681 5.203 -2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.834 4.822 -3.811 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.212 6.543 -2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.241 6.622 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.316 8.369 -4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.303 8.786 -2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.042 9.588 -3.364 1.00 0.00 H new ATOM 289 N THR A 22 -12.178 2.146 0.231 1.00 0.00 N ATOM 290 CA THR A 22 -11.525 1.178 1.104 1.00 0.00 C ATOM 291 C THR A 22 -12.548 0.278 1.788 1.00 0.00 C ATOM 292 O THR A 22 -13.528 0.757 2.360 1.00 0.00 O ATOM 293 CB THR A 22 -10.672 1.876 2.179 1.00 0.00 C ATOM 294 OG1 THR A 22 -11.508 2.670 3.029 1.00 0.00 O ATOM 295 CG2 THR A 22 -9.609 2.757 1.539 1.00 0.00 C ATOM 0 H THR A 22 -11.945 3.119 0.432 1.00 0.00 H new ATOM 0 HA THR A 22 -10.875 0.572 0.473 1.00 0.00 H new ATOM 0 HB THR A 22 -10.176 1.108 2.772 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.398 2.264 3.084 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.019 3.240 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.956 2.145 0.916 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.089 3.518 0.924 1.00 0.00 H new ATOM 303 N VAL A 23 -12.314 -1.029 1.727 1.00 0.00 N ATOM 304 CA VAL A 23 -13.215 -1.996 2.343 1.00 0.00 C ATOM 305 C VAL A 23 -12.694 -2.443 3.704 1.00 0.00 C ATOM 306 O VAL A 23 -12.840 -3.604 4.086 1.00 0.00 O ATOM 307 CB VAL A 23 -13.406 -3.235 1.447 1.00 0.00 C ATOM 308 CG1 VAL A 23 -14.541 -4.102 1.971 1.00 0.00 C ATOM 309 CG2 VAL A 23 -13.665 -2.816 0.008 1.00 0.00 C ATOM 0 H VAL A 23 -11.508 -1.443 1.257 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.176 -1.497 2.471 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.489 -3.825 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.662 -4.972 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.310 -4.431 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -15.466 -3.525 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -13.798 -3.703 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -14.566 -2.205 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.817 -2.239 -0.361 1.00 0.00 H new ATOM 319 N PHE A 24 -12.085 -1.513 4.433 1.00 0.00 N ATOM 320 CA PHE A 24 -11.542 -1.811 5.753 1.00 0.00 C ATOM 321 C PHE A 24 -12.328 -1.086 6.841 1.00 0.00 C ATOM 322 O PHE A 24 -12.840 0.013 6.627 1.00 0.00 O ATOM 323 CB PHE A 24 -10.066 -1.411 5.822 1.00 0.00 C ATOM 324 CG PHE A 24 -9.240 -1.972 4.700 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.455 -1.565 3.393 1.00 0.00 C ATOM 326 CD2 PHE A 24 -8.248 -2.906 4.953 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.696 -2.080 2.359 1.00 0.00 C ATOM 328 CE2 PHE A 24 -7.486 -3.423 3.923 1.00 0.00 C ATOM 329 CZ PHE A 24 -7.711 -3.010 2.624 1.00 0.00 C ATOM 0 H PHE A 24 -11.955 -0.547 4.132 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.629 -2.884 5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.991 -0.324 5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.651 -1.748 6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.224 -0.837 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.069 -3.233 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.873 -1.755 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.715 -4.149 4.133 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.117 -3.414 1.817 1.00 0.00 H new ATOM 339 N THR A 25 -12.421 -1.711 8.011 1.00 0.00 N ATOM 340 CA THR A 25 -13.146 -1.128 9.133 1.00 0.00 C ATOM 341 C THR A 25 -12.204 -0.375 10.065 1.00 0.00 C ATOM 342 O THR A 25 -11.007 -0.656 10.111 1.00 0.00 O ATOM 343 CB THR A 25 -13.894 -2.206 9.940 1.00 0.00 C ATOM 344 OG1 THR A 25 -14.375 -1.652 11.169 1.00 0.00 O ATOM 345 CG2 THR A 25 -12.986 -3.391 10.232 1.00 0.00 C ATOM 0 H THR A 25 -12.003 -2.621 8.206 1.00 0.00 H new ATOM 0 HA THR A 25 -13.871 -0.431 8.712 1.00 0.00 H new ATOM 0 HB THR A 25 -14.738 -2.554 9.344 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.851 -2.343 11.675 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.536 -4.139 10.803 1.00 0.00 H new ATOM 0 HG22 THR A 25 -12.646 -3.829 9.293 1.00 0.00 H new ATOM 0 HG23 THR A 25 -12.124 -3.056 10.809 1.00 0.00 H new ATOM 353 N GLU A 26 -12.753 0.583 10.806 1.00 0.00 N ATOM 354 CA GLU A 26 -11.959 1.376 11.737 1.00 0.00 C ATOM 355 C GLU A 26 -10.855 0.532 12.367 1.00 0.00 C ATOM 356 O GLU A 26 -9.702 0.958 12.449 1.00 0.00 O ATOM 357 CB GLU A 26 -12.853 1.965 12.831 1.00 0.00 C ATOM 358 CG GLU A 26 -13.429 3.326 12.479 1.00 0.00 C ATOM 359 CD GLU A 26 -14.740 3.227 11.724 1.00 0.00 C ATOM 360 OE1 GLU A 26 -15.718 2.706 12.300 1.00 0.00 O ATOM 361 OE2 GLU A 26 -14.789 3.669 10.557 1.00 0.00 O ATOM 0 H GLU A 26 -13.743 0.828 10.780 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.496 2.190 11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.672 1.274 13.031 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.277 2.051 13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.583 3.899 13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.707 3.877 11.876 1.00 0.00 H new ATOM 368 N LEU A 27 -11.215 -0.666 12.812 1.00 0.00 N ATOM 369 CA LEU A 27 -10.256 -1.571 13.436 1.00 0.00 C ATOM 370 C LEU A 27 -9.084 -1.851 12.501 1.00 0.00 C ATOM 371 O LEU A 27 -7.959 -1.421 12.756 1.00 0.00 O ATOM 372 CB LEU A 27 -10.940 -2.884 13.822 1.00 0.00 C ATOM 373 CG LEU A 27 -10.359 -3.613 15.034 1.00 0.00 C ATOM 374 CD1 LEU A 27 -11.035 -3.144 16.313 1.00 0.00 C ATOM 375 CD2 LEU A 27 -10.507 -5.119 14.872 1.00 0.00 C ATOM 0 H LEU A 27 -12.164 -1.034 12.752 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.873 -1.090 14.336 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.992 -2.678 14.017 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.900 -3.557 12.965 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.297 -3.377 15.101 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.609 -3.674 17.165 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.877 -2.072 16.436 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.104 -3.349 16.256 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.088 -5.622 15.744 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.563 -5.373 14.779 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.976 -5.443 13.977 1.00 0.00 H new ATOM 387 N GLN A 28 -9.356 -2.572 11.419 1.00 0.00 N ATOM 388 CA GLN A 28 -8.323 -2.907 10.445 1.00 0.00 C ATOM 389 C GLN A 28 -7.537 -1.666 10.037 1.00 0.00 C ATOM 390 O GLN A 28 -6.305 -1.673 10.029 1.00 0.00 O ATOM 391 CB GLN A 28 -8.949 -3.559 9.210 1.00 0.00 C ATOM 392 CG GLN A 28 -9.821 -4.761 9.533 1.00 0.00 C ATOM 393 CD GLN A 28 -9.173 -5.701 10.530 1.00 0.00 C ATOM 394 OE1 GLN A 28 -8.903 -5.324 11.671 1.00 0.00 O ATOM 395 NE2 GLN A 28 -8.920 -6.934 10.105 1.00 0.00 N ATOM 0 H GLN A 28 -10.282 -2.936 11.194 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.635 -3.613 10.910 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.548 -2.817 8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.155 -3.869 8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.775 -4.416 9.932 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.038 -5.305 8.614 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.160 -7.204 9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.485 -7.611 10.733 1.00 0.00 H new ATOM 404 N LEU A 29 -8.255 -0.602 9.697 1.00 0.00 N ATOM 405 CA LEU A 29 -7.625 0.648 9.287 1.00 0.00 C ATOM 406 C LEU A 29 -6.673 1.157 10.364 1.00 0.00 C ATOM 407 O LEU A 29 -5.554 1.576 10.071 1.00 0.00 O ATOM 408 CB LEU A 29 -8.689 1.705 8.989 1.00 0.00 C ATOM 409 CG LEU A 29 -9.362 1.613 7.619 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.385 2.726 7.450 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.323 1.668 6.509 1.00 0.00 C ATOM 0 H LEU A 29 -9.275 -0.580 9.697 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.050 0.456 8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.461 1.641 9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.230 2.689 9.081 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.882 0.657 7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.853 2.644 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.147 2.640 8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.888 3.693 7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.820 1.601 5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.774 2.608 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.629 0.835 6.619 1.00 0.00 H new ATOM 423 N MET A 30 -7.126 1.116 11.613 1.00 0.00 N ATOM 424 CA MET A 30 -6.313 1.571 12.736 1.00 0.00 C ATOM 425 C MET A 30 -4.972 0.845 12.765 1.00 0.00 C ATOM 426 O MET A 30 -3.928 1.457 12.987 1.00 0.00 O ATOM 427 CB MET A 30 -7.056 1.347 14.054 1.00 0.00 C ATOM 428 CG MET A 30 -6.169 1.483 15.282 1.00 0.00 C ATOM 429 SD MET A 30 -7.086 1.996 16.747 1.00 0.00 S ATOM 430 CE MET A 30 -7.147 0.458 17.663 1.00 0.00 C ATOM 0 H MET A 30 -8.051 0.773 11.873 1.00 0.00 H new ATOM 0 HA MET A 30 -6.126 2.637 12.609 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.875 2.063 14.126 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.502 0.352 14.046 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.680 0.529 15.480 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.382 2.209 15.078 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.685 0.613 18.598 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.661 -0.299 17.070 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.133 0.123 17.879 1.00 0.00 H new ATOM 440 N GLY A 31 -5.008 -0.465 12.539 1.00 0.00 N ATOM 441 CA GLY A 31 -3.789 -1.253 12.544 1.00 0.00 C ATOM 442 C GLY A 31 -2.968 -1.060 11.284 1.00 0.00 C ATOM 443 O GLY A 31 -1.739 -0.997 11.338 1.00 0.00 O ATOM 0 H GLY A 31 -5.860 -0.995 12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.187 -0.980 13.411 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.042 -2.308 12.651 1.00 0.00 H new ATOM 447 N LEU A 32 -3.647 -0.966 10.146 1.00 0.00 N ATOM 448 CA LEU A 32 -2.973 -0.781 8.866 1.00 0.00 C ATOM 449 C LEU A 32 -2.203 0.536 8.842 1.00 0.00 C ATOM 450 O LEU A 32 -1.032 0.574 8.466 1.00 0.00 O ATOM 451 CB LEU A 32 -3.989 -0.812 7.723 1.00 0.00 C ATOM 452 CG LEU A 32 -4.271 -2.185 7.113 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.380 -2.091 6.076 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.007 -2.763 6.493 1.00 0.00 C ATOM 0 H LEU A 32 -4.664 -1.015 10.084 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.264 -1.598 8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.929 -0.399 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.636 -0.151 6.932 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.601 -2.854 7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.567 -3.078 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.290 -1.721 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.079 -1.407 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.227 -3.741 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.648 -2.095 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.240 -2.868 7.261 1.00 0.00 H new ATOM 466 N GLU A 33 -2.870 1.613 9.247 1.00 0.00 N ATOM 467 CA GLU A 33 -2.247 2.931 9.273 1.00 0.00 C ATOM 468 C GLU A 33 -1.041 2.944 10.208 1.00 0.00 C ATOM 469 O GLU A 33 -0.062 3.651 9.967 1.00 0.00 O ATOM 470 CB GLU A 33 -3.260 3.990 9.714 1.00 0.00 C ATOM 471 CG GLU A 33 -4.362 4.238 8.698 1.00 0.00 C ATOM 472 CD GLU A 33 -5.280 5.376 9.100 1.00 0.00 C ATOM 473 OE1 GLU A 33 -4.781 6.507 9.276 1.00 0.00 O ATOM 474 OE2 GLU A 33 -6.497 5.135 9.237 1.00 0.00 O ATOM 0 H GLU A 33 -3.840 1.598 9.561 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.906 3.163 8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.710 3.680 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.735 4.926 9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.915 4.462 7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.949 3.328 8.575 1.00 0.00 H new ATOM 481 N LYS A 34 -1.119 2.158 11.276 1.00 0.00 N ATOM 482 CA LYS A 34 -0.035 2.078 12.249 1.00 0.00 C ATOM 483 C LYS A 34 1.205 1.440 11.630 1.00 0.00 C ATOM 484 O LYS A 34 2.301 1.996 11.700 1.00 0.00 O ATOM 485 CB LYS A 34 -0.479 1.273 13.472 1.00 0.00 C ATOM 486 CG LYS A 34 0.202 1.701 14.761 1.00 0.00 C ATOM 487 CD LYS A 34 -0.385 2.995 15.299 1.00 0.00 C ATOM 488 CE LYS A 34 0.577 3.691 16.249 1.00 0.00 C ATOM 489 NZ LYS A 34 1.744 4.272 15.528 1.00 0.00 N ATOM 0 H LYS A 34 -1.922 1.567 11.490 1.00 0.00 H new ATOM 0 HA LYS A 34 0.216 3.092 12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.558 1.373 13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.274 0.217 13.296 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.096 0.914 15.508 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.270 1.831 14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.623 3.660 14.469 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.320 2.784 15.817 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.051 4.481 16.785 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.929 2.979 16.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.625 3.962 15.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.737 3.950 14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.687 5.310 15.554 1.00 0.00 H new ATOM 503 N ARG A 35 1.023 0.271 11.023 1.00 0.00 N ATOM 504 CA ARG A 35 2.127 -0.441 10.392 1.00 0.00 C ATOM 505 C ARG A 35 2.697 0.362 9.227 1.00 0.00 C ATOM 506 O ARG A 35 3.867 0.746 9.238 1.00 0.00 O ATOM 507 CB ARG A 35 1.662 -1.813 9.900 1.00 0.00 C ATOM 508 CG ARG A 35 1.550 -2.851 11.004 1.00 0.00 C ATOM 509 CD ARG A 35 2.921 -3.296 11.490 1.00 0.00 C ATOM 510 NE ARG A 35 2.829 -4.357 12.490 1.00 0.00 N ATOM 511 CZ ARG A 35 2.596 -4.134 13.779 1.00 0.00 C ATOM 512 NH1 ARG A 35 2.432 -2.895 14.222 1.00 0.00 N ATOM 513 NH2 ARG A 35 2.527 -5.152 14.627 1.00 0.00 N ATOM 0 H ARG A 35 0.122 -0.202 10.955 1.00 0.00 H new ATOM 0 HA ARG A 35 2.912 -0.576 11.136 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.692 -1.706 9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.359 -2.174 9.144 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.983 -2.437 11.838 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.994 -3.714 10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.510 -3.647 10.642 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.450 -2.443 11.914 1.00 0.00 H new ATOM 0 HE ARG A 35 2.950 -5.322 12.182 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.485 -2.110 13.573 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.253 -2.727 15.212 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.653 -6.106 14.290 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.348 -4.980 15.616 1.00 0.00 H new ATOM 527 N PHE A 36 1.864 0.613 8.223 1.00 0.00 N ATOM 528 CA PHE A 36 2.285 1.369 7.050 1.00 0.00 C ATOM 529 C PHE A 36 3.100 2.593 7.456 1.00 0.00 C ATOM 530 O PHE A 36 4.208 2.805 6.963 1.00 0.00 O ATOM 531 CB PHE A 36 1.067 1.802 6.231 1.00 0.00 C ATOM 532 CG PHE A 36 1.423 2.522 4.962 1.00 0.00 C ATOM 533 CD1 PHE A 36 2.047 3.758 5.002 1.00 0.00 C ATOM 534 CD2 PHE A 36 1.134 1.961 3.728 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.374 4.422 3.835 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.459 2.621 2.558 1.00 0.00 C ATOM 537 CZ PHE A 36 2.082 3.853 2.612 1.00 0.00 C ATOM 0 H PHE A 36 0.892 0.303 8.198 1.00 0.00 H new ATOM 0 HA PHE A 36 2.914 0.722 6.438 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.473 0.922 5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.439 2.450 6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.281 4.208 5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.649 0.997 3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.858 5.386 3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.226 2.174 1.603 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.340 4.370 1.699 1.00 0.00 H new ATOM 547 N GLU A 37 2.543 3.396 8.357 1.00 0.00 N ATOM 548 CA GLU A 37 3.217 4.600 8.828 1.00 0.00 C ATOM 549 C GLU A 37 4.656 4.293 9.236 1.00 0.00 C ATOM 550 O GLU A 37 5.594 4.952 8.788 1.00 0.00 O ATOM 551 CB GLU A 37 2.459 5.207 10.009 1.00 0.00 C ATOM 552 CG GLU A 37 1.337 6.144 9.596 1.00 0.00 C ATOM 553 CD GLU A 37 1.848 7.419 8.953 1.00 0.00 C ATOM 554 OE1 GLU A 37 2.748 8.058 9.539 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.349 7.778 7.867 1.00 0.00 O ATOM 0 H GLU A 37 1.627 3.234 8.775 1.00 0.00 H new ATOM 0 HA GLU A 37 3.235 5.320 8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.044 4.402 10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.162 5.751 10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.677 5.629 8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.740 6.397 10.472 1.00 0.00 H new ATOM 562 N LYS A 38 4.820 3.288 10.089 1.00 0.00 N ATOM 563 CA LYS A 38 6.143 2.892 10.559 1.00 0.00 C ATOM 564 C LYS A 38 6.991 2.358 9.409 1.00 0.00 C ATOM 565 O LYS A 38 8.051 2.904 9.103 1.00 0.00 O ATOM 566 CB LYS A 38 6.020 1.829 11.653 1.00 0.00 C ATOM 567 CG LYS A 38 5.297 2.316 12.896 1.00 0.00 C ATOM 568 CD LYS A 38 5.195 1.222 13.946 1.00 0.00 C ATOM 569 CE LYS A 38 4.415 1.691 15.165 1.00 0.00 C ATOM 570 NZ LYS A 38 4.129 0.571 16.105 1.00 0.00 N ATOM 0 H LYS A 38 4.054 2.733 10.469 1.00 0.00 H new ATOM 0 HA LYS A 38 6.635 3.773 10.971 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.491 0.965 11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.018 1.490 11.933 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.825 3.174 13.313 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.298 2.657 12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.708 0.347 13.515 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.195 0.913 14.249 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.982 2.464 15.683 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.477 2.144 14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.596 0.931 16.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.567 -0.156 15.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.024 0.155 16.432 1.00 0.00 H new ATOM 584 N GLN A 39 6.517 1.290 8.776 1.00 0.00 N ATOM 585 CA GLN A 39 7.232 0.685 7.659 1.00 0.00 C ATOM 586 C GLN A 39 6.534 0.985 6.337 1.00 0.00 C ATOM 587 O GLN A 39 5.488 0.412 6.031 1.00 0.00 O ATOM 588 CB GLN A 39 7.344 -0.828 7.858 1.00 0.00 C ATOM 589 CG GLN A 39 8.275 -1.505 6.864 1.00 0.00 C ATOM 590 CD GLN A 39 8.904 -2.767 7.421 1.00 0.00 C ATOM 591 OE1 GLN A 39 8.883 -3.005 8.629 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.467 -3.586 6.540 1.00 0.00 N ATOM 0 H GLN A 39 5.641 0.826 9.018 1.00 0.00 H new ATOM 0 HA GLN A 39 8.233 1.116 7.626 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.698 -1.028 8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.352 -1.272 7.774 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.719 -1.750 5.959 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.062 -0.808 6.576 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.462 -3.349 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.905 -4.452 6.856 1.00 0.00 H new ATOM 601 N LYS A 40 7.118 1.888 5.557 1.00 0.00 N ATOM 602 CA LYS A 40 6.553 2.265 4.267 1.00 0.00 C ATOM 603 C LYS A 40 6.204 1.030 3.443 1.00 0.00 C ATOM 604 O LYS A 40 5.217 1.021 2.707 1.00 0.00 O ATOM 605 CB LYS A 40 7.537 3.145 3.493 1.00 0.00 C ATOM 606 CG LYS A 40 7.752 4.513 4.118 1.00 0.00 C ATOM 607 CD LYS A 40 6.545 5.414 3.916 1.00 0.00 C ATOM 608 CE LYS A 40 6.508 6.535 4.943 1.00 0.00 C ATOM 609 NZ LYS A 40 6.190 6.028 6.307 1.00 0.00 N ATOM 0 H LYS A 40 7.983 2.373 5.796 1.00 0.00 H new ATOM 0 HA LYS A 40 5.638 2.828 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.496 2.631 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.172 3.274 2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.949 4.400 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.634 4.980 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.571 5.839 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.632 4.823 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.472 7.044 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.763 7.274 4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.860 6.815 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.445 5.305 6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.043 5.609 6.729 1.00 0.00 H new ATOM 623 N TYR A 41 7.018 -0.011 3.573 1.00 0.00 N ATOM 624 CA TYR A 41 6.796 -1.252 2.840 1.00 0.00 C ATOM 625 C TYR A 41 7.265 -2.456 3.652 1.00 0.00 C ATOM 626 O TYR A 41 8.445 -2.575 3.983 1.00 0.00 O ATOM 627 CB TYR A 41 7.525 -1.213 1.497 1.00 0.00 C ATOM 628 CG TYR A 41 7.663 0.179 0.923 1.00 0.00 C ATOM 629 CD1 TYR A 41 6.563 0.849 0.403 1.00 0.00 C ATOM 630 CD2 TYR A 41 8.894 0.824 0.899 1.00 0.00 C ATOM 631 CE1 TYR A 41 6.684 2.121 -0.124 1.00 0.00 C ATOM 632 CE2 TYR A 41 9.024 2.096 0.377 1.00 0.00 C ATOM 633 CZ TYR A 41 7.916 2.740 -0.134 1.00 0.00 C ATOM 634 OH TYR A 41 8.042 4.006 -0.657 1.00 0.00 O ATOM 0 H TYR A 41 7.838 -0.021 4.179 1.00 0.00 H new ATOM 0 HA TYR A 41 5.725 -1.352 2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.518 -1.647 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.989 -1.839 0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.596 0.368 0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.764 0.322 1.295 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.819 2.627 -0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.988 2.584 0.369 1.00 0.00 H new ATOM 0 HH TYR A 41 8.975 4.298 -0.587 1.00 0.00 H new ATOM 644 N LEU A 42 6.332 -3.347 3.969 1.00 0.00 N ATOM 645 CA LEU A 42 6.648 -4.543 4.741 1.00 0.00 C ATOM 646 C LEU A 42 7.354 -5.581 3.874 1.00 0.00 C ATOM 647 O LEU A 42 7.244 -5.558 2.648 1.00 0.00 O ATOM 648 CB LEU A 42 5.372 -5.142 5.336 1.00 0.00 C ATOM 649 CG LEU A 42 4.388 -4.148 5.954 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.961 -4.656 5.821 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.732 -3.895 7.414 1.00 0.00 C ATOM 0 H LEU A 42 5.351 -3.264 3.703 1.00 0.00 H new ATOM 0 HA LEU A 42 7.319 -4.256 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.854 -5.695 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.656 -5.864 6.101 1.00 0.00 H new ATOM 0 HG LEU A 42 4.467 -3.205 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.275 -3.935 6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.717 -4.785 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.866 -5.613 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.021 -3.185 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.682 -4.833 7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.740 -3.485 7.485 1.00 0.00 H new ATOM 663 N SER A 43 8.077 -6.490 4.519 1.00 0.00 N ATOM 664 CA SER A 43 8.803 -7.535 3.807 1.00 0.00 C ATOM 665 C SER A 43 7.853 -8.635 3.341 1.00 0.00 C ATOM 666 O SER A 43 6.638 -8.538 3.516 1.00 0.00 O ATOM 667 CB SER A 43 9.891 -8.131 4.702 1.00 0.00 C ATOM 668 OG SER A 43 10.727 -7.117 5.232 1.00 0.00 O ATOM 0 H SER A 43 8.176 -6.524 5.534 1.00 0.00 H new ATOM 0 HA SER A 43 9.270 -7.086 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.430 -8.690 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.490 -8.839 4.129 1.00 0.00 H new ATOM 0 HG SER A 43 11.413 -7.523 5.802 1.00 0.00 H new ATOM 674 N THR A 44 8.417 -9.682 2.747 1.00 0.00 N ATOM 675 CA THR A 44 7.622 -10.801 2.254 1.00 0.00 C ATOM 676 C THR A 44 6.789 -11.417 3.372 1.00 0.00 C ATOM 677 O THR A 44 5.561 -11.473 3.305 1.00 0.00 O ATOM 678 CB THR A 44 8.514 -11.892 1.632 1.00 0.00 C ATOM 679 OG1 THR A 44 8.667 -11.657 0.228 1.00 0.00 O ATOM 680 CG2 THR A 44 7.916 -13.272 1.858 1.00 0.00 C ATOM 0 H THR A 44 9.421 -9.779 2.595 1.00 0.00 H new ATOM 0 HA THR A 44 6.958 -10.404 1.486 1.00 0.00 H new ATOM 0 HB THR A 44 9.490 -11.853 2.115 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.237 -12.354 -0.160 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.563 -14.027 1.410 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.827 -13.459 2.928 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.929 -13.321 1.398 1.00 0.00 H new ATOM 688 N PRO A 45 7.470 -11.892 4.426 1.00 0.00 N ATOM 689 CA PRO A 45 6.812 -12.512 5.579 1.00 0.00 C ATOM 690 C PRO A 45 6.031 -11.502 6.414 1.00 0.00 C ATOM 691 O PRO A 45 4.913 -11.776 6.851 1.00 0.00 O ATOM 692 CB PRO A 45 7.978 -13.086 6.387 1.00 0.00 C ATOM 693 CG PRO A 45 9.150 -12.246 6.010 1.00 0.00 C ATOM 694 CD PRO A 45 8.935 -11.858 4.573 1.00 0.00 C ATOM 0 HA PRO A 45 6.077 -13.258 5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.781 -13.033 7.458 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.149 -14.135 6.145 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.219 -11.364 6.646 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.082 -12.799 6.130 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.337 -10.868 4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.424 -12.554 3.891 1.00 0.00 H new ATOM 702 N ASP A 46 6.627 -10.334 6.630 1.00 0.00 N ATOM 703 CA ASP A 46 5.986 -9.283 7.411 1.00 0.00 C ATOM 704 C ASP A 46 4.516 -9.140 7.028 1.00 0.00 C ATOM 705 O ASP A 46 3.628 -9.294 7.866 1.00 0.00 O ATOM 706 CB ASP A 46 6.711 -7.952 7.205 1.00 0.00 C ATOM 707 CG ASP A 46 6.214 -6.870 8.144 1.00 0.00 C ATOM 708 OD1 ASP A 46 5.042 -6.947 8.569 1.00 0.00 O ATOM 709 OD2 ASP A 46 6.995 -5.946 8.453 1.00 0.00 O ATOM 0 H ASP A 46 7.552 -10.092 6.275 1.00 0.00 H new ATOM 0 HA ASP A 46 6.043 -9.561 8.464 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.781 -8.097 7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.577 -7.624 6.174 1.00 0.00 H new ATOM 714 N ARG A 47 4.268 -8.842 5.756 1.00 0.00 N ATOM 715 CA ARG A 47 2.906 -8.676 5.263 1.00 0.00 C ATOM 716 C ARG A 47 1.999 -9.786 5.787 1.00 0.00 C ATOM 717 O ARG A 47 0.829 -9.552 6.091 1.00 0.00 O ATOM 718 CB ARG A 47 2.892 -8.671 3.733 1.00 0.00 C ATOM 719 CG ARG A 47 1.525 -8.381 3.137 1.00 0.00 C ATOM 720 CD ARG A 47 1.639 -7.789 1.741 1.00 0.00 C ATOM 721 NE ARG A 47 2.552 -6.650 1.703 1.00 0.00 N ATOM 722 CZ ARG A 47 3.168 -6.239 0.600 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.970 -6.869 -0.549 1.00 0.00 N ATOM 724 NH2 ARG A 47 3.985 -5.193 0.646 1.00 0.00 N ATOM 0 H ARG A 47 4.992 -8.711 5.049 1.00 0.00 H new ATOM 0 HA ARG A 47 2.529 -7.720 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.601 -7.925 3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.238 -9.639 3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.942 -9.301 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.985 -7.690 3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.987 -8.556 1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.653 -7.475 1.399 1.00 0.00 H new ATOM 0 HE ARG A 47 2.726 -6.142 2.570 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.343 -7.672 -0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.445 -6.550 -1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.140 -4.705 1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.458 -4.878 -0.201 1.00 0.00 H new ATOM 738 N ILE A 48 2.546 -10.992 5.888 1.00 0.00 N ATOM 739 CA ILE A 48 1.786 -12.136 6.375 1.00 0.00 C ATOM 740 C ILE A 48 1.495 -12.009 7.867 1.00 0.00 C ATOM 741 O ILE A 48 0.338 -11.954 8.281 1.00 0.00 O ATOM 742 CB ILE A 48 2.535 -13.458 6.121 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.887 -13.593 4.638 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.694 -14.640 6.581 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.689 -14.835 4.318 1.00 0.00 C ATOM 0 H ILE A 48 3.513 -11.202 5.639 1.00 0.00 H new ATOM 0 HA ILE A 48 0.846 -12.148 5.824 1.00 0.00 H new ATOM 0 HB ILE A 48 3.461 -13.450 6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.967 -13.604 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.452 -12.715 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.237 -15.567 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.489 -14.547 7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.753 -14.653 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.902 -14.865 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.626 -14.817 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.117 -15.720 4.599 1.00 0.00 H new ATOM 757 N ASP A 49 2.554 -11.960 8.668 1.00 0.00 N ATOM 758 CA ASP A 49 2.413 -11.835 10.114 1.00 0.00 C ATOM 759 C ASP A 49 1.303 -10.851 10.469 1.00 0.00 C ATOM 760 O ASP A 49 0.534 -11.076 11.405 1.00 0.00 O ATOM 761 CB ASP A 49 3.733 -11.382 10.739 1.00 0.00 C ATOM 762 CG ASP A 49 3.872 -11.825 12.183 1.00 0.00 C ATOM 763 OD1 ASP A 49 2.847 -11.858 12.895 1.00 0.00 O ATOM 764 OD2 ASP A 49 5.006 -12.139 12.600 1.00 0.00 O ATOM 0 H ASP A 49 3.519 -12.005 8.340 1.00 0.00 H new ATOM 0 HA ASP A 49 2.148 -12.813 10.514 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.563 -11.783 10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.802 -10.295 10.687 1.00 0.00 H new ATOM 769 N LEU A 50 1.226 -9.758 9.717 1.00 0.00 N ATOM 770 CA LEU A 50 0.211 -8.738 9.953 1.00 0.00 C ATOM 771 C LEU A 50 -1.158 -9.211 9.474 1.00 0.00 C ATOM 772 O LEU A 50 -2.115 -9.258 10.247 1.00 0.00 O ATOM 773 CB LEU A 50 0.591 -7.438 9.242 1.00 0.00 C ATOM 774 CG LEU A 50 -0.533 -6.417 9.063 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.793 -5.675 10.365 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.192 -5.438 7.948 1.00 0.00 C ATOM 0 H LEU A 50 1.854 -9.556 8.939 1.00 0.00 H new ATOM 0 HA LEU A 50 0.157 -8.556 11.026 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.399 -6.965 9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.987 -7.688 8.258 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.442 -6.951 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.596 -4.953 10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.082 -6.387 11.138 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.113 -5.153 10.673 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.003 -4.719 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.729 -4.910 8.196 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.057 -5.983 7.014 1.00 0.00 H new ATOM 788 N ALA A 51 -1.243 -9.562 8.196 1.00 0.00 N ATOM 789 CA ALA A 51 -2.494 -10.036 7.615 1.00 0.00 C ATOM 790 C ALA A 51 -3.135 -11.106 8.492 1.00 0.00 C ATOM 791 O ALA A 51 -4.332 -11.370 8.388 1.00 0.00 O ATOM 792 CB ALA A 51 -2.254 -10.574 6.212 1.00 0.00 C ATOM 0 H ALA A 51 -0.461 -9.527 7.542 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.181 -9.192 7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.196 -10.924 5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.847 -9.782 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.546 -11.402 6.256 1.00 0.00 H new ATOM 798 N GLU A 52 -2.330 -11.719 9.354 1.00 0.00 N ATOM 799 CA GLU A 52 -2.821 -12.762 10.247 1.00 0.00 C ATOM 800 C GLU A 52 -3.328 -12.163 11.556 1.00 0.00 C ATOM 801 O GLU A 52 -4.256 -12.687 12.172 1.00 0.00 O ATOM 802 CB GLU A 52 -1.715 -13.780 10.535 1.00 0.00 C ATOM 803 CG GLU A 52 -1.665 -14.923 9.535 1.00 0.00 C ATOM 804 CD GLU A 52 -2.663 -16.020 9.852 1.00 0.00 C ATOM 805 OE1 GLU A 52 -2.436 -16.763 10.830 1.00 0.00 O ATOM 806 OE2 GLU A 52 -3.671 -16.135 9.124 1.00 0.00 O ATOM 0 H GLU A 52 -1.336 -11.512 9.453 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.651 -13.267 9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.753 -13.268 10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.861 -14.189 11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.862 -14.535 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.660 -15.344 9.521 1.00 0.00 H new ATOM 813 N SER A 53 -2.712 -11.062 11.974 1.00 0.00 N ATOM 814 CA SER A 53 -3.098 -10.394 13.211 1.00 0.00 C ATOM 815 C SER A 53 -4.495 -9.793 13.092 1.00 0.00 C ATOM 816 O SER A 53 -5.343 -9.982 13.966 1.00 0.00 O ATOM 817 CB SER A 53 -2.088 -9.299 13.561 1.00 0.00 C ATOM 818 OG SER A 53 -2.454 -8.062 12.974 1.00 0.00 O ATOM 0 H SER A 53 -1.944 -10.614 11.474 1.00 0.00 H new ATOM 0 HA SER A 53 -3.108 -11.138 14.008 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.028 -9.188 14.644 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.096 -9.590 13.215 1.00 0.00 H new ATOM 0 HG SER A 53 -2.356 -8.120 12.001 1.00 0.00 H new ATOM 824 N LEU A 54 -4.729 -9.068 12.003 1.00 0.00 N ATOM 825 CA LEU A 54 -6.024 -8.438 11.767 1.00 0.00 C ATOM 826 C LEU A 54 -6.968 -9.391 11.040 1.00 0.00 C ATOM 827 O LEU A 54 -8.188 -9.281 11.157 1.00 0.00 O ATOM 828 CB LEU A 54 -5.848 -7.156 10.952 1.00 0.00 C ATOM 829 CG LEU A 54 -4.818 -6.159 11.484 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.447 -5.149 10.409 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.351 -5.451 12.722 1.00 0.00 C ATOM 0 H LEU A 54 -4.039 -8.902 11.270 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.462 -8.189 12.734 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.567 -7.431 9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.813 -6.653 10.890 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.919 -6.709 11.762 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.713 -4.448 10.806 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.023 -5.670 9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.338 -4.604 10.099 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.605 -4.745 13.087 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.265 -4.914 12.469 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.565 -6.186 13.498 1.00 0.00 H new ATOM 843 N GLY A 55 -6.394 -10.327 10.291 1.00 0.00 N ATOM 844 CA GLY A 55 -7.199 -11.287 9.558 1.00 0.00 C ATOM 845 C GLY A 55 -7.456 -10.856 8.127 1.00 0.00 C ATOM 846 O GLY A 55 -8.434 -11.279 7.509 1.00 0.00 O ATOM 0 H GLY A 55 -5.386 -10.438 10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.696 -12.254 9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.152 -11.424 10.070 1.00 0.00 H new ATOM 850 N LEU A 56 -6.579 -10.009 7.600 1.00 0.00 N ATOM 851 CA LEU A 56 -6.716 -9.518 6.233 1.00 0.00 C ATOM 852 C LEU A 56 -5.976 -10.423 5.253 1.00 0.00 C ATOM 853 O LEU A 56 -5.355 -11.409 5.650 1.00 0.00 O ATOM 854 CB LEU A 56 -6.181 -8.089 6.128 1.00 0.00 C ATOM 855 CG LEU A 56 -6.789 -7.072 7.095 1.00 0.00 C ATOM 856 CD1 LEU A 56 -5.853 -5.888 7.281 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.148 -6.607 6.594 1.00 0.00 C ATOM 0 H LEU A 56 -5.766 -9.648 8.098 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.775 -9.523 5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.103 -8.113 6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.344 -7.735 5.110 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.927 -7.555 8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.302 -5.174 7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.902 -6.236 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.683 -5.404 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.566 -5.884 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.035 -6.141 5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.818 -7.463 6.513 1.00 0.00 H new ATOM 869 N SER A 57 -6.047 -10.081 3.970 1.00 0.00 N ATOM 870 CA SER A 57 -5.386 -10.863 2.933 1.00 0.00 C ATOM 871 C SER A 57 -4.113 -10.170 2.457 1.00 0.00 C ATOM 872 O SER A 57 -4.112 -8.969 2.188 1.00 0.00 O ATOM 873 CB SER A 57 -6.331 -11.084 1.750 1.00 0.00 C ATOM 874 OG SER A 57 -5.644 -11.643 0.645 1.00 0.00 O ATOM 0 H SER A 57 -6.556 -9.267 3.625 1.00 0.00 H new ATOM 0 HA SER A 57 -5.116 -11.829 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.144 -11.746 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.782 -10.135 1.459 1.00 0.00 H new ATOM 0 HG SER A 57 -6.271 -11.776 -0.097 1.00 0.00 H new ATOM 880 N GLN A 58 -3.031 -10.935 2.358 1.00 0.00 N ATOM 881 CA GLN A 58 -1.751 -10.395 1.916 1.00 0.00 C ATOM 882 C GLN A 58 -1.953 -9.299 0.875 1.00 0.00 C ATOM 883 O GLN A 58 -1.348 -8.229 0.959 1.00 0.00 O ATOM 884 CB GLN A 58 -0.875 -11.508 1.338 1.00 0.00 C ATOM 885 CG GLN A 58 -0.540 -12.600 2.341 1.00 0.00 C ATOM 886 CD GLN A 58 0.110 -13.807 1.693 1.00 0.00 C ATOM 887 OE1 GLN A 58 -0.561 -14.787 1.367 1.00 0.00 O ATOM 888 NE2 GLN A 58 1.422 -13.743 1.504 1.00 0.00 N ATOM 0 H GLN A 58 -3.015 -11.931 2.578 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.250 -9.961 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.385 -11.954 0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.052 -11.073 0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.128 -12.197 3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.452 -12.912 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.938 -12.911 1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.914 -14.526 1.073 1.00 0.00 H new ATOM 897 N LEU A 59 -2.806 -9.572 -0.106 1.00 0.00 N ATOM 898 CA LEU A 59 -3.088 -8.609 -1.165 1.00 0.00 C ATOM 899 C LEU A 59 -3.447 -7.246 -0.580 1.00 0.00 C ATOM 900 O LEU A 59 -2.845 -6.232 -0.932 1.00 0.00 O ATOM 901 CB LEU A 59 -4.229 -9.113 -2.050 1.00 0.00 C ATOM 902 CG LEU A 59 -4.581 -8.240 -3.255 1.00 0.00 C ATOM 903 CD1 LEU A 59 -3.380 -8.092 -4.176 1.00 0.00 C ATOM 904 CD2 LEU A 59 -5.766 -8.825 -4.010 1.00 0.00 C ATOM 0 H LEU A 59 -3.314 -10.452 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.188 -8.499 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.969 -10.108 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.121 -9.221 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.859 -7.250 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.649 -7.468 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.559 -7.627 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.070 -9.075 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.002 -8.191 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.516 -9.827 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.630 -8.878 -3.347 1.00 0.00 H new ATOM 916 N GLN A 60 -4.429 -7.232 0.315 1.00 0.00 N ATOM 917 CA GLN A 60 -4.867 -5.994 0.949 1.00 0.00 C ATOM 918 C GLN A 60 -3.680 -5.079 1.233 1.00 0.00 C ATOM 919 O GLN A 60 -3.544 -4.016 0.627 1.00 0.00 O ATOM 920 CB GLN A 60 -5.613 -6.299 2.249 1.00 0.00 C ATOM 921 CG GLN A 60 -6.860 -7.146 2.051 1.00 0.00 C ATOM 922 CD GLN A 60 -7.854 -6.997 3.186 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.980 -5.925 3.778 1.00 0.00 O ATOM 924 NE2 GLN A 60 -8.565 -8.074 3.495 1.00 0.00 N ATOM 0 H GLN A 60 -4.936 -8.063 0.618 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.541 -5.482 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.939 -6.815 2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.894 -5.360 2.726 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.340 -6.865 1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.572 -8.193 1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.427 -8.942 2.977 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.249 -8.034 4.250 1.00 0.00 H new ATOM 933 N VAL A 61 -2.823 -5.499 2.158 1.00 0.00 N ATOM 934 CA VAL A 61 -1.647 -4.718 2.522 1.00 0.00 C ATOM 935 C VAL A 61 -0.871 -4.283 1.283 1.00 0.00 C ATOM 936 O VAL A 61 -0.386 -3.155 1.205 1.00 0.00 O ATOM 937 CB VAL A 61 -0.709 -5.514 3.448 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.508 -4.680 3.821 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.453 -5.972 4.694 1.00 0.00 C ATOM 0 H VAL A 61 -2.921 -6.376 2.669 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.005 -3.835 3.052 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.364 -6.398 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.159 -5.259 4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.052 -4.406 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.185 -3.776 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.775 -6.533 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.829 -5.103 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.289 -6.609 4.405 1.00 0.00 H new ATOM 949 N LYS A 62 -0.759 -5.187 0.315 1.00 0.00 N ATOM 950 CA LYS A 62 -0.044 -4.898 -0.922 1.00 0.00 C ATOM 951 C LYS A 62 -0.678 -3.720 -1.655 1.00 0.00 C ATOM 952 O LYS A 62 -0.035 -2.693 -1.875 1.00 0.00 O ATOM 953 CB LYS A 62 -0.033 -6.130 -1.829 1.00 0.00 C ATOM 954 CG LYS A 62 0.885 -5.993 -3.031 1.00 0.00 C ATOM 955 CD LYS A 62 0.759 -7.184 -3.967 1.00 0.00 C ATOM 956 CE LYS A 62 1.321 -6.871 -5.345 1.00 0.00 C ATOM 957 NZ LYS A 62 2.791 -7.103 -5.411 1.00 0.00 N ATOM 0 H LYS A 62 -1.155 -6.126 0.364 1.00 0.00 H new ATOM 0 HA LYS A 62 0.982 -4.634 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.274 -6.998 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.048 -6.323 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.645 -5.077 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.917 -5.902 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.286 -8.039 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.289 -7.469 -4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.822 -7.491 -6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.106 -5.833 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.135 -6.878 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.270 -6.493 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.995 -8.100 -5.195 1.00 0.00 H new ATOM 971 N THR A 63 -1.944 -3.874 -2.029 1.00 0.00 N ATOM 972 CA THR A 63 -2.666 -2.823 -2.736 1.00 0.00 C ATOM 973 C THR A 63 -2.889 -1.610 -1.840 1.00 0.00 C ATOM 974 O THR A 63 -2.426 -0.511 -2.142 1.00 0.00 O ATOM 975 CB THR A 63 -4.028 -3.325 -3.250 1.00 0.00 C ATOM 976 OG1 THR A 63 -3.854 -4.531 -4.002 1.00 0.00 O ATOM 977 CG2 THR A 63 -4.700 -2.273 -4.118 1.00 0.00 C ATOM 0 H THR A 63 -2.491 -4.717 -1.854 1.00 0.00 H new ATOM 0 HA THR A 63 -2.049 -2.534 -3.587 1.00 0.00 H new ATOM 0 HB THR A 63 -4.665 -3.524 -2.388 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.725 -4.844 -4.324 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.660 -2.650 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.858 -1.366 -3.534 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.064 -2.047 -4.974 1.00 0.00 H new ATOM 985 N TRP A 64 -3.599 -1.818 -0.738 1.00 0.00 N ATOM 986 CA TRP A 64 -3.882 -0.740 0.203 1.00 0.00 C ATOM 987 C TRP A 64 -2.683 0.190 0.342 1.00 0.00 C ATOM 988 O TRP A 64 -2.820 1.411 0.263 1.00 0.00 O ATOM 989 CB TRP A 64 -4.259 -1.315 1.570 1.00 0.00 C ATOM 990 CG TRP A 64 -4.808 -0.289 2.514 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.067 0.240 2.508 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.115 0.334 3.602 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.199 1.153 3.527 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.015 1.228 4.212 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.822 0.221 4.120 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.662 2.004 5.313 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.473 0.992 5.212 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.389 1.874 5.800 1.00 0.00 C ATOM 0 H TRP A 64 -3.989 -2.722 -0.474 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.722 -0.163 -0.185 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.998 -2.105 1.433 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.379 -1.776 2.018 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.845 -0.021 1.806 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.041 1.688 3.739 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.109 -0.457 3.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.367 2.684 5.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.476 0.913 5.620 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.085 2.462 6.653 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.508 -0.393 0.549 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.284 0.385 0.701 1.00 0.00 C ATOM 1011 C TYR A 65 -0.066 1.298 -0.502 1.00 0.00 C ATOM 1012 O TYR A 65 -0.110 2.521 -0.382 1.00 0.00 O ATOM 1013 CB TYR A 65 0.918 -0.544 0.875 1.00 0.00 C ATOM 1014 CG TYR A 65 1.214 -0.888 2.318 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.232 -1.426 3.140 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.477 -0.675 2.858 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.498 -1.740 4.459 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.752 -0.987 4.175 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.759 -1.519 4.972 1.00 0.00 C ATOM 1020 OH TYR A 65 2.029 -1.832 6.284 1.00 0.00 O ATOM 0 H TYR A 65 -1.377 -1.402 0.615 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.386 1.005 1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.738 -1.465 0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.797 -0.073 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.756 -1.602 2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.256 -0.258 2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.277 -2.156 5.085 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.739 -0.816 4.579 1.00 0.00 H new ATOM 0 HH TYR A 65 1.224 -2.198 6.705 1.00 0.00 H new ATOM 1030 N GLN A 66 0.170 0.691 -1.661 1.00 0.00 N ATOM 1031 CA GLN A 66 0.395 1.448 -2.887 1.00 0.00 C ATOM 1032 C GLN A 66 -0.597 2.601 -3.005 1.00 0.00 C ATOM 1033 O GLN A 66 -0.206 3.750 -3.203 1.00 0.00 O ATOM 1034 CB GLN A 66 0.278 0.532 -4.106 1.00 0.00 C ATOM 1035 CG GLN A 66 1.469 -0.395 -4.288 1.00 0.00 C ATOM 1036 CD GLN A 66 1.383 -1.214 -5.560 1.00 0.00 C ATOM 1037 OE1 GLN A 66 0.293 -1.474 -6.072 1.00 0.00 O ATOM 1038 NE2 GLN A 66 2.534 -1.626 -6.079 1.00 0.00 N ATOM 0 H GLN A 66 0.210 -0.322 -1.777 1.00 0.00 H new ATOM 0 HA GLN A 66 1.402 1.862 -2.848 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.628 -0.068 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.165 1.144 -5.001 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.385 0.196 -4.302 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.536 -1.067 -3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.414 -1.388 -5.622 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.538 -2.181 -6.935 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.882 2.284 -2.883 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.930 3.294 -2.977 1.00 0.00 C ATOM 1049 C ASN A 67 -2.706 4.407 -1.958 1.00 0.00 C ATOM 1050 O ASN A 67 -2.823 5.590 -2.279 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.303 2.655 -2.758 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.675 1.690 -3.867 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -4.109 1.734 -4.959 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.631 0.811 -3.590 1.00 0.00 N ATOM 0 H ASN A 67 -2.222 1.337 -2.719 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.894 3.728 -3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.307 2.127 -1.804 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.059 3.438 -2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.923 0.136 -4.297 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.073 0.811 -2.671 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.383 4.020 -0.728 1.00 0.00 N ATOM 1062 CA ARG A 68 -2.143 4.985 0.338 1.00 0.00 C ATOM 1063 C ARG A 68 -1.024 5.950 -0.043 1.00 0.00 C ATOM 1064 O ARG A 68 -1.087 7.141 0.262 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.786 4.262 1.638 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.995 3.738 2.396 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.746 4.862 3.092 1.00 0.00 C ATOM 1068 NE ARG A 68 -4.638 5.572 2.179 1.00 0.00 N ATOM 1069 CZ ARG A 68 -5.783 5.068 1.731 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -6.173 3.859 2.110 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -6.541 5.775 0.903 1.00 0.00 N ATOM 0 H ARG A 68 -2.282 3.045 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.058 5.558 0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.122 3.428 1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.231 4.944 2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.664 3.225 1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.673 3.003 3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.325 4.453 3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.031 5.565 3.520 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.367 6.505 1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.594 3.313 2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.052 3.475 1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.245 6.706 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.420 5.388 0.559 1.00 0.00 H new ATOM 1085 N ARG A 69 -0.001 5.427 -0.711 1.00 0.00 N ATOM 1086 CA ARG A 69 1.133 6.242 -1.133 1.00 0.00 C ATOM 1087 C ARG A 69 0.660 7.497 -1.860 1.00 0.00 C ATOM 1088 O ARG A 69 1.108 8.604 -1.563 1.00 0.00 O ATOM 1089 CB ARG A 69 2.060 5.432 -2.041 1.00 0.00 C ATOM 1090 CG ARG A 69 2.627 4.187 -1.378 1.00 0.00 C ATOM 1091 CD ARG A 69 3.853 3.672 -2.116 1.00 0.00 C ATOM 1092 NE ARG A 69 3.594 3.481 -3.541 1.00 0.00 N ATOM 1093 CZ ARG A 69 4.545 3.485 -4.468 1.00 0.00 C ATOM 1094 NH1 ARG A 69 5.812 3.669 -4.122 1.00 0.00 N ATOM 1095 NH2 ARG A 69 4.230 3.305 -5.744 1.00 0.00 N ATOM 0 H ARG A 69 0.066 4.443 -0.972 1.00 0.00 H new ATOM 0 HA ARG A 69 1.682 6.545 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.512 5.139 -2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.884 6.068 -2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.891 4.412 -0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.864 3.409 -1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.675 4.376 -1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.171 2.727 -1.675 1.00 0.00 H new ATOM 0 HE ARG A 69 2.630 3.337 -3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.058 3.808 -3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.540 3.672 -4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.257 3.163 -6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.961 3.308 -6.455 1.00 0.00 H new ATOM 1109 N MET A 70 -0.248 7.315 -2.813 1.00 0.00 N ATOM 1110 CA MET A 70 -0.783 8.433 -3.582 1.00 0.00 C ATOM 1111 C MET A 70 -1.076 9.625 -2.676 1.00 0.00 C ATOM 1112 O MET A 70 -0.532 10.713 -2.869 1.00 0.00 O ATOM 1113 CB MET A 70 -2.056 8.012 -4.318 1.00 0.00 C ATOM 1114 CG MET A 70 -1.811 6.997 -5.423 1.00 0.00 C ATOM 1115 SD MET A 70 -0.596 7.563 -6.629 1.00 0.00 S ATOM 1116 CE MET A 70 -0.351 6.071 -7.589 1.00 0.00 C ATOM 0 H MET A 70 -0.629 6.405 -3.071 1.00 0.00 H new ATOM 0 HA MET A 70 -0.032 8.731 -4.313 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.759 7.592 -3.599 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.528 8.896 -4.746 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.470 6.060 -4.982 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.751 6.786 -5.932 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.377 6.261 -8.378 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.017 5.277 -6.940 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.298 5.766 -8.035 1.00 0.00 H new ATOM 1126 N LYS A 71 -1.939 9.414 -1.689 1.00 0.00 N ATOM 1127 CA LYS A 71 -2.305 10.469 -0.752 1.00 0.00 C ATOM 1128 C LYS A 71 -1.102 10.897 0.082 1.00 0.00 C ATOM 1129 O LYS A 71 -0.915 12.083 0.357 1.00 0.00 O ATOM 1130 CB LYS A 71 -3.434 9.996 0.167 1.00 0.00 C ATOM 1131 CG LYS A 71 -4.136 11.127 0.899 1.00 0.00 C ATOM 1132 CD LYS A 71 -5.250 10.605 1.792 1.00 0.00 C ATOM 1133 CE LYS A 71 -5.484 11.522 2.983 1.00 0.00 C ATOM 1134 NZ LYS A 71 -6.729 11.167 3.719 1.00 0.00 N ATOM 0 H LYS A 71 -2.399 8.520 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.650 11.328 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.167 9.447 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.027 9.298 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.413 11.676 1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.548 11.830 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.170 10.515 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.997 9.605 2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.632 11.462 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.547 12.555 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.853 11.814 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.545 11.248 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.659 10.190 4.069 1.00 0.00 H new ATOM 1148 N TRP A 72 -0.289 9.926 0.481 1.00 0.00 N ATOM 1149 CA TRP A 72 0.897 10.203 1.283 1.00 0.00 C ATOM 1150 C TRP A 72 1.816 11.191 0.572 1.00 0.00 C ATOM 1151 O TRP A 72 2.433 12.047 1.206 1.00 0.00 O ATOM 1152 CB TRP A 72 1.653 8.907 1.578 1.00 0.00 C ATOM 1153 CG TRP A 72 3.044 9.133 2.088 1.00 0.00 C ATOM 1154 CD1 TRP A 72 3.400 9.769 3.243 1.00 0.00 C ATOM 1155 CD2 TRP A 72 4.265 8.726 1.460 1.00 0.00 C ATOM 1156 NE1 TRP A 72 4.768 9.782 3.370 1.00 0.00 N ATOM 1157 CE2 TRP A 72 5.322 9.148 2.290 1.00 0.00 C ATOM 1158 CE3 TRP A 72 4.567 8.044 0.278 1.00 0.00 C ATOM 1159 CZ2 TRP A 72 6.656 8.910 1.973 1.00 0.00 C ATOM 1160 CZ3 TRP A 72 5.893 7.810 -0.035 1.00 0.00 C ATOM 1161 CH2 TRP A 72 6.924 8.241 0.810 1.00 0.00 C ATOM 0 H TRP A 72 -0.429 8.940 0.262 1.00 0.00 H new ATOM 0 HA TRP A 72 0.573 10.648 2.224 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.094 8.328 2.313 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.700 8.307 0.669 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.708 10.199 3.952 1.00 0.00 H new ATOM 0 HE1 TRP A 72 5.287 10.197 4.144 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.779 7.706 -0.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 7.452 9.242 2.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 6.138 7.286 -0.947 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.950 8.041 0.538 1.00 0.00 H new ATOM 1172 N LYS A 73 1.902 11.068 -0.748 1.00 0.00 N ATOM 1173 CA LYS A 73 2.745 11.951 -1.546 1.00 0.00 C ATOM 1174 C LYS A 73 2.446 13.414 -1.236 1.00 0.00 C ATOM 1175 O LYS A 73 1.315 13.875 -1.395 1.00 0.00 O ATOM 1176 CB LYS A 73 2.533 11.681 -3.037 1.00 0.00 C ATOM 1177 CG LYS A 73 3.177 10.393 -3.519 1.00 0.00 C ATOM 1178 CD LYS A 73 4.684 10.538 -3.651 1.00 0.00 C ATOM 1179 CE LYS A 73 5.363 9.186 -3.803 1.00 0.00 C ATOM 1180 NZ LYS A 73 6.831 9.323 -4.012 1.00 0.00 N ATOM 0 H LYS A 73 1.398 10.365 -1.288 1.00 0.00 H new ATOM 0 HA LYS A 73 3.785 11.749 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.463 11.641 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.937 12.516 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.948 9.587 -2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.752 10.111 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.916 11.162 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.080 11.048 -2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.177 8.584 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.924 8.652 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.257 8.379 -4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.009 9.876 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.254 9.810 -3.196 1.00 0.00 H new ATOM 1194 N LYS A 74 3.466 14.141 -0.793 1.00 0.00 N ATOM 1195 CA LYS A 74 3.315 15.553 -0.463 1.00 0.00 C ATOM 1196 C LYS A 74 2.546 16.288 -1.557 1.00 0.00 C ATOM 1197 O LYS A 74 1.552 16.962 -1.285 1.00 0.00 O ATOM 1198 CB LYS A 74 4.686 16.202 -0.265 1.00 0.00 C ATOM 1199 CG LYS A 74 5.548 15.499 0.770 1.00 0.00 C ATOM 1200 CD LYS A 74 5.331 16.075 2.160 1.00 0.00 C ATOM 1201 CE LYS A 74 4.230 15.336 2.904 1.00 0.00 C ATOM 1202 NZ LYS A 74 4.765 14.190 3.690 1.00 0.00 N ATOM 0 H LYS A 74 4.408 13.775 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 74 2.749 15.624 0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.214 16.213 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.547 17.241 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.315 14.434 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.599 15.594 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.259 16.015 2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.073 17.131 2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.717 16.027 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.490 14.973 2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.984 13.712 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.233 13.518 3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.453 14.539 4.388 1.00 0.00 H new ATOM 1216 N SER A 75 3.013 16.153 -2.794 1.00 0.00 N ATOM 1217 CA SER A 75 2.370 16.806 -3.929 1.00 0.00 C ATOM 1218 C SER A 75 1.731 15.778 -4.857 1.00 0.00 C ATOM 1219 O SER A 75 1.889 14.572 -4.669 1.00 0.00 O ATOM 1220 CB SER A 75 3.388 17.646 -4.704 1.00 0.00 C ATOM 1221 OG SER A 75 4.396 16.829 -5.273 1.00 0.00 O ATOM 0 H SER A 75 3.834 15.598 -3.036 1.00 0.00 H new ATOM 0 HA SER A 75 1.587 17.459 -3.545 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.880 18.203 -5.491 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.843 18.378 -4.037 1.00 0.00 H new ATOM 0 HG SER A 75 5.033 17.389 -5.764 1.00 0.00 H new ATOM 1227 N GLY A 76 1.008 16.265 -5.861 1.00 0.00 N ATOM 1228 CA GLY A 76 0.355 15.376 -6.804 1.00 0.00 C ATOM 1229 C GLY A 76 0.329 15.941 -8.211 1.00 0.00 C ATOM 1230 O GLY A 76 1.129 16.805 -8.570 1.00 0.00 O ATOM 0 H GLY A 76 0.863 17.259 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.871 14.416 -6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.666 15.187 -6.473 1.00 0.00 H new ATOM 1234 N PRO A 77 -0.607 15.446 -9.034 1.00 0.00 N ATOM 1235 CA PRO A 77 -0.756 15.892 -10.423 1.00 0.00 C ATOM 1236 C PRO A 77 -1.284 17.319 -10.520 1.00 0.00 C ATOM 1237 O PRO A 77 -1.408 17.872 -11.613 1.00 0.00 O ATOM 1238 CB PRO A 77 -1.770 14.905 -11.005 1.00 0.00 C ATOM 1239 CG PRO A 77 -2.552 14.428 -9.831 1.00 0.00 C ATOM 1240 CD PRO A 77 -1.593 14.414 -8.673 1.00 0.00 C ATOM 0 HA PRO A 77 0.197 15.906 -10.952 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.414 15.387 -11.740 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.272 14.078 -11.511 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.396 15.087 -9.630 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.960 13.434 -10.012 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.094 14.648 -7.734 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.125 13.437 -8.550 1.00 0.00 H new ATOM 1248 N SER A 78 -1.594 17.910 -9.370 1.00 0.00 N ATOM 1249 CA SER A 78 -2.112 19.272 -9.327 1.00 0.00 C ATOM 1250 C SER A 78 -1.337 20.179 -10.277 1.00 0.00 C ATOM 1251 O SER A 78 -0.190 20.539 -10.013 1.00 0.00 O ATOM 1252 CB SER A 78 -2.036 19.824 -7.902 1.00 0.00 C ATOM 1253 OG SER A 78 -0.714 19.753 -7.397 1.00 0.00 O ATOM 0 H SER A 78 -1.495 17.467 -8.457 1.00 0.00 H new ATOM 0 HA SER A 78 -3.154 19.248 -9.645 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.378 20.859 -7.891 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.707 19.260 -7.254 1.00 0.00 H new ATOM 0 HG SER A 78 -0.092 20.127 -8.055 1.00 0.00 H new ATOM 1259 N SER A 79 -1.972 20.546 -11.386 1.00 0.00 N ATOM 1260 CA SER A 79 -1.342 21.408 -12.379 1.00 0.00 C ATOM 1261 C SER A 79 -1.297 22.853 -11.894 1.00 0.00 C ATOM 1262 O SER A 79 -2.032 23.238 -10.984 1.00 0.00 O ATOM 1263 CB SER A 79 -2.097 21.327 -13.707 1.00 0.00 C ATOM 1264 OG SER A 79 -1.386 21.989 -14.739 1.00 0.00 O ATOM 0 H SER A 79 -2.923 20.259 -11.619 1.00 0.00 H new ATOM 0 HA SER A 79 -0.319 21.062 -12.528 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.250 20.283 -13.979 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.084 21.775 -13.596 1.00 0.00 H new ATOM 0 HG SER A 79 -1.888 21.921 -15.578 1.00 0.00 H new ATOM 1270 N GLY A 80 -0.429 23.651 -12.508 1.00 0.00 N ATOM 1271 CA GLY A 80 -0.303 25.045 -12.126 1.00 0.00 C ATOM 1272 C GLY A 80 -0.886 25.985 -13.162 1.00 0.00 C ATOM 1273 O GLY A 80 -0.252 26.270 -14.178 1.00 0.00 O ATOM 0 H GLY A 80 0.190 23.357 -13.264 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.806 25.204 -11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.750 25.283 -11.975 1.00 0.00 H new TER 1277 GLY A 80