USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 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 SER N :NH3+ 129:sc= 0.586 (180deg=0.0933) USER MOD Single : A 1 SER OG : rot 180:sc= 0.233 USER MOD Single : A 2 HIS : no HD1:sc= -0.581 X(o=-0.58,f=-0.21) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -94:sc= 0.186 USER MOD Single : A 10 SER OG : rot -60:sc= 1.18 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 170:sc= -2.87! USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= -0.56 (180deg=-0.662) USER MOD Single : A 23 ASN : amide:sc= 0.254 X(o=0.25,f=0) USER MOD Single : A 25 SER OG : rot -88:sc= -4.89! USER MOD Single : A 27 ASN : amide:sc= -1.98! C(o=-2!,f=-3!) USER MOD Single : A 29 THR OG1 : rot -4:sc= 0.694 USER MOD Single : A 34 LYS NZ :NH3+ -125:sc=-0.00078 (180deg=-0.113) USER MOD Single : A 47 SER OG : rot -130:sc= -0.978! USER MOD Single : A 48 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.282) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 88:sc= 0.173 USER MOD Single : A 68 LYS NZ :NH3+ -108:sc= 0 (180deg=-0.153) USER MOD Single : A 69 ASN : amide:sc= -3.58! C(o=-3.6!,f=-5.7!) USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= 0.882 (180deg=0.856) USER MOD Single : A 74 GLN : amide:sc= -0.962! C(o=-0.96!,f=-7.5!) USER MOD Single : A 82 SER OG : rot -57:sc= 1.16 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -26:sc= -5.8! USER MOD Single : A 88 THR OG1 : rot 29:sc= -0.698 USER MOD Single : A 91 LYS NZ :NH3+ -117:sc= -0.585 (180deg=-2.35!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 95.280 28.264 9.801 1.00 0.00 N ATOM 2 CA SER A 1 95.245 26.992 9.025 1.00 0.00 C ATOM 3 C SER A 1 94.960 25.811 9.958 1.00 0.00 C ATOM 4 O SER A 1 94.057 25.029 9.729 1.00 0.00 O ATOM 5 CB SER A 1 96.637 26.863 8.410 1.00 0.00 C ATOM 6 OG SER A 1 97.198 28.159 8.245 1.00 0.00 O ATOM 0 H1 SER A 1 96.153 28.783 9.577 1.00 0.00 H new ATOM 0 H2 SER A 1 94.456 28.847 9.549 1.00 0.00 H new ATOM 0 H3 SER A 1 95.255 28.051 10.819 1.00 0.00 H new ATOM 0 HA SER A 1 94.463 26.994 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 1 97.276 26.256 9.051 1.00 0.00 H new ATOM 0 HB3 SER A 1 96.577 26.355 7.448 1.00 0.00 H new ATOM 0 HG SER A 1 98.092 28.081 7.852 1.00 0.00 H new ATOM 14 N HIS A 2 95.723 25.674 11.007 1.00 0.00 N ATOM 15 CA HIS A 2 95.496 24.544 11.953 1.00 0.00 C ATOM 16 C HIS A 2 95.707 23.207 11.239 1.00 0.00 C ATOM 17 O HIS A 2 95.966 23.160 10.053 1.00 0.00 O ATOM 18 CB HIS A 2 94.042 24.689 12.403 1.00 0.00 C ATOM 19 CG HIS A 2 93.933 24.351 13.864 1.00 0.00 C ATOM 20 ND1 HIS A 2 92.713 24.269 14.516 1.00 0.00 N ATOM 21 CD2 HIS A 2 94.884 24.071 14.815 1.00 0.00 C ATOM 22 CE1 HIS A 2 92.958 23.952 15.800 1.00 0.00 C ATOM 23 NE2 HIS A 2 94.266 23.820 16.036 1.00 0.00 N ATOM 0 H HIS A 2 96.494 26.296 11.251 1.00 0.00 H new ATOM 0 HA HIS A 2 96.187 24.566 12.796 1.00 0.00 H new ATOM 0 HB2 HIS A 2 93.696 25.708 12.228 1.00 0.00 H new ATOM 0 HB3 HIS A 2 93.401 24.029 11.817 1.00 0.00 H new ATOM 0 HD2 HIS A 2 95.950 24.049 14.641 1.00 0.00 H new ATOM 0 HE1 HIS A 2 92.191 23.820 16.549 1.00 0.00 H new ATOM 0 HE2 HIS A 2 94.715 23.586 16.921 1.00 0.00 H new ATOM 31 N MET A 3 95.598 22.119 11.952 1.00 0.00 N ATOM 32 CA MET A 3 95.793 20.786 11.313 1.00 0.00 C ATOM 33 C MET A 3 94.598 19.877 11.613 1.00 0.00 C ATOM 34 O MET A 3 94.506 18.772 11.118 1.00 0.00 O ATOM 35 CB MET A 3 97.067 20.225 11.947 1.00 0.00 C ATOM 36 CG MET A 3 97.444 18.911 11.261 1.00 0.00 C ATOM 37 SD MET A 3 98.085 17.749 12.492 1.00 0.00 S ATOM 38 CE MET A 3 97.261 16.268 11.857 1.00 0.00 C ATOM 0 H MET A 3 95.383 22.095 12.949 1.00 0.00 H new ATOM 0 HA MET A 3 95.875 20.855 10.228 1.00 0.00 H new ATOM 0 HB2 MET A 3 97.881 20.944 11.851 1.00 0.00 H new ATOM 0 HB3 MET A 3 96.913 20.059 13.013 1.00 0.00 H new ATOM 0 HG2 MET A 3 96.573 18.486 10.763 1.00 0.00 H new ATOM 0 HG3 MET A 3 98.194 19.092 10.491 1.00 0.00 H new ATOM 0 HE1 MET A 3 97.521 15.412 12.479 1.00 0.00 H new ATOM 0 HE2 MET A 3 96.181 16.416 11.876 1.00 0.00 H new ATOM 0 HE3 MET A 3 97.584 16.083 10.832 1.00 0.00 H new ATOM 48 N LEU A 4 93.682 20.335 12.422 1.00 0.00 N ATOM 49 CA LEU A 4 92.493 19.498 12.754 1.00 0.00 C ATOM 50 C LEU A 4 91.444 19.606 11.643 1.00 0.00 C ATOM 51 O LEU A 4 90.818 20.631 11.466 1.00 0.00 O ATOM 52 CB LEU A 4 91.952 20.079 14.060 1.00 0.00 C ATOM 53 CG LEU A 4 91.697 18.946 15.056 1.00 0.00 C ATOM 54 CD1 LEU A 4 90.753 17.918 14.430 1.00 0.00 C ATOM 55 CD2 LEU A 4 93.023 18.269 15.408 1.00 0.00 C ATOM 0 H LEU A 4 93.705 21.252 12.868 1.00 0.00 H new ATOM 0 HA LEU A 4 92.745 18.442 12.851 1.00 0.00 H new ATOM 0 HB2 LEU A 4 92.665 20.790 14.477 1.00 0.00 H new ATOM 0 HB3 LEU A 4 91.029 20.627 13.872 1.00 0.00 H new ATOM 0 HG LEU A 4 91.244 19.353 15.960 1.00 0.00 H new ATOM 0 HD11 LEU A 4 90.572 17.111 15.140 1.00 0.00 H new ATOM 0 HD12 LEU A 4 89.808 18.398 14.177 1.00 0.00 H new ATOM 0 HD13 LEU A 4 91.206 17.511 13.526 1.00 0.00 H new ATOM 0 HD21 LEU A 4 92.842 17.462 16.118 1.00 0.00 H new ATOM 0 HD22 LEU A 4 93.475 17.863 14.503 1.00 0.00 H new ATOM 0 HD23 LEU A 4 93.698 19.000 15.854 1.00 0.00 H new ATOM 67 N GLU A 5 91.248 18.555 10.895 1.00 0.00 N ATOM 68 CA GLU A 5 90.239 18.600 9.799 1.00 0.00 C ATOM 69 C GLU A 5 88.867 18.981 10.361 1.00 0.00 C ATOM 70 O GLU A 5 88.198 18.184 10.986 1.00 0.00 O ATOM 71 CB GLU A 5 90.210 17.182 9.227 1.00 0.00 C ATOM 72 CG GLU A 5 90.514 17.229 7.728 1.00 0.00 C ATOM 73 CD GLU A 5 91.970 17.644 7.514 1.00 0.00 C ATOM 74 OE1 GLU A 5 92.805 17.229 8.301 1.00 0.00 O ATOM 75 OE2 GLU A 5 92.227 18.369 6.567 1.00 0.00 O ATOM 0 H GLU A 5 91.742 17.668 10.995 1.00 0.00 H new ATOM 0 HA GLU A 5 90.488 19.340 9.038 1.00 0.00 H new ATOM 0 HB2 GLU A 5 90.943 16.557 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 5 89.233 16.730 9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 5 90.334 16.252 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 5 89.847 17.935 7.233 1.00 0.00 H new ATOM 82 N ASP A 6 88.445 20.197 10.144 1.00 0.00 N ATOM 83 CA ASP A 6 87.119 20.633 10.667 1.00 0.00 C ATOM 84 C ASP A 6 86.068 19.545 10.430 1.00 0.00 C ATOM 85 O ASP A 6 85.573 19.387 9.331 1.00 0.00 O ATOM 86 CB ASP A 6 86.778 21.892 9.870 1.00 0.00 C ATOM 87 CG ASP A 6 87.936 22.886 9.962 1.00 0.00 C ATOM 88 OD1 ASP A 6 88.934 22.668 9.295 1.00 0.00 O ATOM 89 OD2 ASP A 6 87.807 23.849 10.701 1.00 0.00 O ATOM 0 H ASP A 6 88.962 20.908 9.627 1.00 0.00 H new ATOM 0 HA ASP A 6 87.140 20.821 11.741 1.00 0.00 H new ATOM 0 HB2 ASP A 6 86.588 21.635 8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 6 85.865 22.344 10.258 1.00 0.00 H new ATOM 94 N PRO A 7 85.765 18.825 11.477 1.00 0.00 N ATOM 95 CA PRO A 7 84.769 17.734 11.397 1.00 0.00 C ATOM 96 C PRO A 7 83.346 18.283 11.565 1.00 0.00 C ATOM 97 O PRO A 7 82.458 17.594 12.028 1.00 0.00 O ATOM 98 CB PRO A 7 85.134 16.841 12.574 1.00 0.00 C ATOM 99 CG PRO A 7 85.830 17.733 13.560 1.00 0.00 C ATOM 100 CD PRO A 7 86.329 18.954 12.823 1.00 0.00 C ATOM 0 HA PRO A 7 84.784 17.214 10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 7 84.244 16.390 13.014 1.00 0.00 H new ATOM 0 HB3 PRO A 7 85.783 16.024 12.259 1.00 0.00 H new ATOM 0 HG2 PRO A 7 85.147 18.024 14.358 1.00 0.00 H new ATOM 0 HG3 PRO A 7 86.661 17.206 14.029 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.997 19.873 13.306 1.00 0.00 H new ATOM 0 HD3 PRO A 7 87.418 18.984 12.796 1.00 0.00 H new ATOM 108 N CYS A 8 83.125 19.513 11.200 1.00 0.00 N ATOM 109 CA CYS A 8 81.764 20.104 11.347 1.00 0.00 C ATOM 110 C CYS A 8 80.750 19.336 10.494 1.00 0.00 C ATOM 111 O CYS A 8 79.729 18.892 10.980 1.00 0.00 O ATOM 112 CB CYS A 8 81.902 21.542 10.845 1.00 0.00 C ATOM 113 SG CYS A 8 82.246 22.638 12.244 1.00 0.00 S ATOM 0 H CYS A 8 83.828 20.137 10.805 1.00 0.00 H new ATOM 0 HA CYS A 8 81.407 20.060 12.376 1.00 0.00 H new ATOM 0 HB2 CYS A 8 82.706 21.607 10.112 1.00 0.00 H new ATOM 0 HB3 CYS A 8 80.986 21.853 10.342 1.00 0.00 H new ATOM 0 HG CYS A 8 82.366 23.860 11.818 1.00 0.00 H new ATOM 119 N THR A 9 81.017 19.184 9.226 1.00 0.00 N ATOM 120 CA THR A 9 80.071 18.461 8.349 1.00 0.00 C ATOM 121 C THR A 9 80.126 16.961 8.633 1.00 0.00 C ATOM 122 O THR A 9 79.193 16.380 9.150 1.00 0.00 O ATOM 123 CB THR A 9 80.544 18.758 6.926 1.00 0.00 C ATOM 124 OG1 THR A 9 81.894 19.198 6.958 1.00 0.00 O ATOM 125 CG2 THR A 9 79.664 19.847 6.311 1.00 0.00 C ATOM 0 H THR A 9 81.856 19.534 8.763 1.00 0.00 H new ATOM 0 HA THR A 9 79.039 18.774 8.508 1.00 0.00 H new ATOM 0 HB THR A 9 80.472 17.853 6.323 1.00 0.00 H new ATOM 0 HG1 THR A 9 81.918 20.177 6.986 1.00 0.00 H new ATOM 0 HG21 THR A 9 80.002 20.058 5.296 1.00 0.00 H new ATOM 0 HG22 THR A 9 78.629 19.507 6.285 1.00 0.00 H new ATOM 0 HG23 THR A 9 79.733 20.753 6.912 1.00 0.00 H new ATOM 133 N SER A 10 81.218 16.338 8.294 1.00 0.00 N ATOM 134 CA SER A 10 81.357 14.871 8.533 1.00 0.00 C ATOM 135 C SER A 10 80.040 14.151 8.231 1.00 0.00 C ATOM 136 O SER A 10 79.746 13.114 8.791 1.00 0.00 O ATOM 137 CB SER A 10 81.715 14.741 10.011 1.00 0.00 C ATOM 138 OG SER A 10 81.573 13.385 10.411 1.00 0.00 O ATOM 0 H SER A 10 82.027 16.782 7.859 1.00 0.00 H new ATOM 0 HA SER A 10 82.114 14.421 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 10 82.738 15.077 10.180 1.00 0.00 H new ATOM 0 HB3 SER A 10 81.067 15.379 10.612 1.00 0.00 H new ATOM 0 HG SER A 10 80.647 13.098 10.270 1.00 0.00 H new ATOM 144 N LYS A 11 79.249 14.691 7.346 1.00 0.00 N ATOM 145 CA LYS A 11 77.957 14.035 7.004 1.00 0.00 C ATOM 146 C LYS A 11 78.067 13.366 5.634 1.00 0.00 C ATOM 147 O LYS A 11 77.490 12.325 5.391 1.00 0.00 O ATOM 148 CB LYS A 11 76.929 15.168 6.970 1.00 0.00 C ATOM 149 CG LYS A 11 75.518 14.578 6.953 1.00 0.00 C ATOM 150 CD LYS A 11 74.697 15.179 8.096 1.00 0.00 C ATOM 151 CE LYS A 11 73.944 14.065 8.826 1.00 0.00 C ATOM 152 NZ LYS A 11 74.317 14.224 10.259 1.00 0.00 N ATOM 0 H LYS A 11 79.442 15.558 6.845 1.00 0.00 H new ATOM 0 HA LYS A 11 77.678 13.262 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 11 77.054 15.813 7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 11 77.086 15.789 6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 11 75.037 14.787 5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 11 75.565 13.494 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 11 75.352 15.705 8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 11 73.992 15.913 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 11 72.867 14.159 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 11 74.230 13.083 8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 73.839 13.494 10.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 75.347 14.123 10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 74.026 15.166 10.591 1.00 0.00 H new ATOM 166 N LYS A 12 78.813 13.953 4.739 1.00 0.00 N ATOM 167 CA LYS A 12 78.971 13.347 3.389 1.00 0.00 C ATOM 168 C LYS A 12 80.249 12.511 3.339 1.00 0.00 C ATOM 169 O LYS A 12 80.645 12.019 2.301 1.00 0.00 O ATOM 170 CB LYS A 12 79.060 14.530 2.425 1.00 0.00 C ATOM 171 CG LYS A 12 77.856 15.450 2.636 1.00 0.00 C ATOM 172 CD LYS A 12 77.492 16.123 1.311 1.00 0.00 C ATOM 173 CE LYS A 12 76.297 17.056 1.523 1.00 0.00 C ATOM 174 NZ LYS A 12 76.134 17.769 0.226 1.00 0.00 N ATOM 0 H LYS A 12 79.320 14.826 4.885 1.00 0.00 H new ATOM 0 HA LYS A 12 78.145 12.683 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 12 79.986 15.080 2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 12 79.083 14.173 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 12 77.008 14.877 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 12 78.088 16.204 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 12 78.344 16.687 0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 12 77.250 15.369 0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 12 75.399 16.495 1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 12 76.482 17.756 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 75.333 18.429 0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 77.002 18.299 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 75.953 17.078 -0.530 1.00 0.00 H new ATOM 188 N VAL A 13 80.892 12.340 4.460 1.00 0.00 N ATOM 189 CA VAL A 13 82.141 11.530 4.489 1.00 0.00 C ATOM 190 C VAL A 13 81.832 10.121 4.994 1.00 0.00 C ATOM 191 O VAL A 13 82.435 9.153 4.576 1.00 0.00 O ATOM 192 CB VAL A 13 83.068 12.264 5.459 1.00 0.00 C ATOM 193 CG1 VAL A 13 84.470 11.656 5.388 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.136 13.744 5.077 1.00 0.00 C ATOM 0 H VAL A 13 80.606 12.727 5.359 1.00 0.00 H new ATOM 0 HA VAL A 13 82.594 11.424 3.504 1.00 0.00 H new ATOM 0 HB VAL A 13 82.681 12.166 6.473 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.129 12.180 6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 13 84.423 10.601 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.858 11.753 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.796 14.268 5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.522 13.840 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.138 14.179 5.128 1.00 0.00 H new ATOM 204 N ARG A 14 80.886 9.999 5.884 1.00 0.00 N ATOM 205 CA ARG A 14 80.527 8.652 6.408 1.00 0.00 C ATOM 206 C ARG A 14 79.567 7.963 5.438 1.00 0.00 C ATOM 207 O ARG A 14 79.376 6.764 5.480 1.00 0.00 O ATOM 208 CB ARG A 14 79.840 8.916 7.749 1.00 0.00 C ATOM 209 CG ARG A 14 80.434 7.997 8.819 1.00 0.00 C ATOM 210 CD ARG A 14 79.530 6.776 9.002 1.00 0.00 C ATOM 211 NE ARG A 14 78.620 7.136 10.123 1.00 0.00 N ATOM 212 CZ ARG A 14 77.494 7.748 9.878 1.00 0.00 C ATOM 213 NH1 ARG A 14 77.476 9.042 9.710 1.00 0.00 N ATOM 214 NH2 ARG A 14 76.383 7.067 9.802 1.00 0.00 N ATOM 0 H ARG A 14 80.347 10.774 6.271 1.00 0.00 H new ATOM 0 HA ARG A 14 81.395 8.002 6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 14 79.971 9.959 8.037 1.00 0.00 H new ATOM 0 HB3 ARG A 14 78.768 8.742 7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 14 81.435 7.681 8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 14 80.532 8.535 9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 14 78.970 6.560 8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 14 80.112 5.885 9.237 1.00 0.00 H new ATOM 0 HE ARG A 14 78.876 6.904 11.083 1.00 0.00 H new ATOM 0 HH11 ARG A 14 78.343 9.576 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 14 76.595 9.519 9.519 1.00 0.00 H new ATOM 0 HH21 ARG A 14 76.395 6.056 9.934 1.00 0.00 H new ATOM 0 HH22 ARG A 14 75.503 7.546 9.610 1.00 0.00 H new ATOM 228 N ALA A 15 78.962 8.717 4.562 1.00 0.00 N ATOM 229 CA ALA A 15 78.018 8.117 3.587 1.00 0.00 C ATOM 230 C ALA A 15 78.789 7.443 2.451 1.00 0.00 C ATOM 231 O ALA A 15 78.278 6.574 1.773 1.00 0.00 O ATOM 232 CB ALA A 15 77.201 9.292 3.051 1.00 0.00 C ATOM 0 H ALA A 15 79.084 9.727 4.482 1.00 0.00 H new ATOM 0 HA ALA A 15 77.387 7.354 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.477 8.929 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.675 9.775 3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.867 10.011 2.575 1.00 0.00 H new ATOM 238 N ALA A 16 80.014 7.838 2.233 1.00 0.00 N ATOM 239 CA ALA A 16 80.807 7.217 1.135 1.00 0.00 C ATOM 240 C ALA A 16 81.371 5.869 1.580 1.00 0.00 C ATOM 241 O ALA A 16 82.112 5.224 0.864 1.00 0.00 O ATOM 242 CB ALA A 16 81.931 8.210 0.840 1.00 0.00 C ATOM 0 H ALA A 16 80.498 8.561 2.766 1.00 0.00 H new ATOM 0 HA ALA A 16 80.201 7.022 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.560 7.821 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.502 9.164 0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.534 8.354 1.737 1.00 0.00 H new ATOM 248 N ARG A 17 80.998 5.426 2.743 1.00 0.00 N ATOM 249 CA ARG A 17 81.476 4.100 3.230 1.00 0.00 C ATOM 250 C ARG A 17 80.283 3.151 3.275 1.00 0.00 C ATOM 251 O ARG A 17 80.415 1.972 3.533 1.00 0.00 O ATOM 252 CB ARG A 17 82.036 4.311 4.649 1.00 0.00 C ATOM 253 CG ARG A 17 82.225 5.800 4.957 1.00 0.00 C ATOM 254 CD ARG A 17 83.339 6.370 4.077 1.00 0.00 C ATOM 255 NE ARG A 17 84.130 7.252 4.980 1.00 0.00 N ATOM 256 CZ ARG A 17 85.186 6.785 5.589 1.00 0.00 C ATOM 257 NH1 ARG A 17 86.116 6.175 4.907 1.00 0.00 N ATOM 258 NH2 ARG A 17 85.312 6.930 6.879 1.00 0.00 N ATOM 0 H ARG A 17 80.380 5.925 3.383 1.00 0.00 H new ATOM 0 HA ARG A 17 82.244 3.680 2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 17 81.358 3.870 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 17 82.990 3.793 4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.295 6.339 4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 17 82.474 5.935 6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.958 5.576 3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.930 6.931 3.236 1.00 0.00 H new ATOM 0 HE ARG A 17 83.846 8.221 5.123 1.00 0.00 H new ATOM 0 HH11 ARG A 17 86.018 6.063 3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 17 86.941 5.810 5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 17 84.585 7.408 7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 17 86.137 6.565 7.355 1.00 0.00 H new ATOM 272 N THR A 18 79.110 3.672 3.029 1.00 0.00 N ATOM 273 CA THR A 18 77.887 2.818 3.057 1.00 0.00 C ATOM 274 C THR A 18 76.951 3.207 1.912 1.00 0.00 C ATOM 275 O THR A 18 77.010 4.304 1.396 1.00 0.00 O ATOM 276 CB THR A 18 77.238 3.110 4.412 1.00 0.00 C ATOM 277 OG1 THR A 18 78.005 2.506 5.441 1.00 0.00 O ATOM 278 CG2 THR A 18 75.815 2.548 4.438 1.00 0.00 C ATOM 0 H THR A 18 78.946 4.655 2.809 1.00 0.00 H new ATOM 0 HA THR A 18 78.112 1.759 2.934 1.00 0.00 H new ATOM 0 HB THR A 18 77.200 4.188 4.569 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.689 2.822 6.313 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.358 2.759 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.225 3.014 3.649 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.847 1.470 4.279 1.00 0.00 H new ATOM 286 N LEU A 19 76.082 2.317 1.515 1.00 0.00 N ATOM 287 CA LEU A 19 75.141 2.643 0.405 1.00 0.00 C ATOM 288 C LEU A 19 73.777 1.993 0.653 1.00 0.00 C ATOM 289 O LEU A 19 73.639 1.101 1.466 1.00 0.00 O ATOM 290 CB LEU A 19 75.788 2.071 -0.858 1.00 0.00 C ATOM 291 CG LEU A 19 76.211 0.622 -0.614 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.327 -0.313 -1.440 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.672 0.443 -1.036 1.00 0.00 C ATOM 0 H LEU A 19 75.983 1.382 1.910 1.00 0.00 H new ATOM 0 HA LEU A 19 74.969 3.716 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.086 2.119 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.655 2.670 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 19 76.103 0.384 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.628 -1.346 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.286 -0.184 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.436 -0.076 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.977 -0.589 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.777 0.680 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.304 1.111 -0.451 1.00 0.00 H new ATOM 305 N LEU A 20 72.768 2.444 -0.038 1.00 0.00 N ATOM 306 CA LEU A 20 71.405 1.868 0.158 1.00 0.00 C ATOM 307 C LEU A 20 71.052 0.910 -0.985 1.00 0.00 C ATOM 308 O LEU A 20 70.949 1.308 -2.127 1.00 0.00 O ATOM 309 CB LEU A 20 70.468 3.079 0.140 1.00 0.00 C ATOM 310 CG LEU A 20 69.075 2.666 0.619 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.383 1.851 -0.475 1.00 0.00 C ATOM 312 CD2 LEU A 20 69.196 1.818 1.888 1.00 0.00 C ATOM 0 H LEU A 20 72.827 3.189 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 20 71.331 1.295 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.864 3.866 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.409 3.489 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 20 68.488 3.558 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.390 1.556 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 20 68.293 2.456 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 20 68.972 0.960 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 20 68.202 1.526 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 20 69.784 0.925 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 20 69.689 2.399 2.668 1.00 0.00 H new ATOM 324 N ALA A 21 70.852 -0.347 -0.688 1.00 0.00 N ATOM 325 CA ALA A 21 70.492 -1.313 -1.766 1.00 0.00 C ATOM 326 C ALA A 21 68.990 -1.230 -2.057 1.00 0.00 C ATOM 327 O ALA A 21 68.189 -1.026 -1.166 1.00 0.00 O ATOM 328 CB ALA A 21 70.859 -2.689 -1.209 1.00 0.00 C ATOM 0 H ALA A 21 70.922 -0.744 0.249 1.00 0.00 H new ATOM 0 HA ALA A 21 71.012 -1.107 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.623 -3.455 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.925 -2.718 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.291 -2.876 -0.298 1.00 0.00 H new ATOM 334 N LYS A 22 68.599 -1.381 -3.294 1.00 0.00 N ATOM 335 CA LYS A 22 67.147 -1.302 -3.627 1.00 0.00 C ATOM 336 C LYS A 22 66.758 -2.433 -4.583 1.00 0.00 C ATOM 337 O LYS A 22 67.587 -3.216 -5.003 1.00 0.00 O ATOM 338 CB LYS A 22 66.967 0.057 -4.304 1.00 0.00 C ATOM 339 CG LYS A 22 67.489 1.162 -3.382 1.00 0.00 C ATOM 340 CD LYS A 22 67.049 2.527 -3.916 1.00 0.00 C ATOM 341 CE LYS A 22 65.803 2.997 -3.164 1.00 0.00 C ATOM 342 NZ LYS A 22 64.662 2.632 -4.048 1.00 0.00 N ATOM 0 H LYS A 22 69.219 -1.555 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 22 66.517 -1.404 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.504 0.076 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 22 65.914 0.225 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 22 67.108 1.016 -2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 22 68.576 1.117 -3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 22 67.854 3.252 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 22 66.838 2.460 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 22 65.721 2.511 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 22 65.833 4.071 -2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.782 3.026 -3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.823 3.018 -5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.583 1.596 -4.103 1.00 0.00 H new ATOM 356 N ASN A 23 65.503 -2.523 -4.930 1.00 0.00 N ATOM 357 CA ASN A 23 65.062 -3.604 -5.858 1.00 0.00 C ATOM 358 C ASN A 23 65.440 -4.973 -5.289 1.00 0.00 C ATOM 359 O ASN A 23 65.445 -5.967 -5.989 1.00 0.00 O ATOM 360 CB ASN A 23 65.816 -3.338 -7.162 1.00 0.00 C ATOM 361 CG ASN A 23 64.975 -3.816 -8.347 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.017 -3.172 -8.726 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.296 -4.926 -8.955 1.00 0.00 N ATOM 0 H ASN A 23 64.764 -1.896 -4.612 1.00 0.00 H new ATOM 0 HA ASN A 23 63.982 -3.608 -6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.029 -2.274 -7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.775 -3.856 -7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 23 64.743 -5.252 -9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.100 -5.467 -8.637 1.00 0.00 H new ATOM 370 N LEU A 24 65.757 -5.033 -4.025 1.00 0.00 N ATOM 371 CA LEU A 24 66.135 -6.339 -3.412 1.00 0.00 C ATOM 372 C LEU A 24 64.917 -7.259 -3.331 1.00 0.00 C ATOM 373 O LEU A 24 63.833 -6.915 -3.757 1.00 0.00 O ATOM 374 CB LEU A 24 66.623 -5.995 -2.005 1.00 0.00 C ATOM 375 CG LEU A 24 67.830 -5.061 -2.089 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.694 -3.959 -1.036 1.00 0.00 C ATOM 377 CD2 LEU A 24 69.106 -5.860 -1.826 1.00 0.00 C ATOM 0 H LEU A 24 65.771 -4.235 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 24 66.895 -6.858 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.822 -5.519 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.893 -6.906 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 24 67.877 -4.612 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.554 -3.292 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.781 -3.392 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.650 -4.408 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.969 -5.197 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 24 69.058 -6.306 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 24 69.202 -6.648 -2.573 1.00 0.00 H new ATOM 389 N SER A 25 65.090 -8.424 -2.772 1.00 0.00 N ATOM 390 CA SER A 25 63.946 -9.367 -2.643 1.00 0.00 C ATOM 391 C SER A 25 63.743 -9.720 -1.169 1.00 0.00 C ATOM 392 O SER A 25 64.667 -10.115 -0.485 1.00 0.00 O ATOM 393 CB SER A 25 64.356 -10.603 -3.444 1.00 0.00 C ATOM 394 OG SER A 25 65.759 -10.800 -3.317 1.00 0.00 O ATOM 0 H SER A 25 65.976 -8.764 -2.398 1.00 0.00 H new ATOM 0 HA SER A 25 63.009 -8.947 -3.009 1.00 0.00 H new ATOM 0 HB2 SER A 25 63.820 -11.480 -3.082 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.088 -10.476 -4.493 1.00 0.00 H new ATOM 0 HG SER A 25 66.225 -10.292 -4.013 1.00 0.00 H new ATOM 400 N PHE A 26 62.548 -9.574 -0.667 1.00 0.00 N ATOM 401 CA PHE A 26 62.305 -9.895 0.766 1.00 0.00 C ATOM 402 C PHE A 26 62.690 -11.348 1.059 1.00 0.00 C ATOM 403 O PHE A 26 62.829 -11.743 2.200 1.00 0.00 O ATOM 404 CB PHE A 26 60.811 -9.669 0.983 1.00 0.00 C ATOM 405 CG PHE A 26 60.622 -8.537 1.963 1.00 0.00 C ATOM 406 CD1 PHE A 26 61.286 -7.321 1.759 1.00 0.00 C ATOM 407 CD2 PHE A 26 59.792 -8.703 3.077 1.00 0.00 C ATOM 408 CE1 PHE A 26 61.120 -6.271 2.669 1.00 0.00 C ATOM 409 CE2 PHE A 26 59.623 -7.652 3.986 1.00 0.00 C ATOM 410 CZ PHE A 26 60.289 -6.436 3.782 1.00 0.00 C ATOM 0 H PHE A 26 61.732 -9.248 -1.185 1.00 0.00 H new ATOM 0 HA PHE A 26 62.903 -9.275 1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 26 60.325 -9.433 0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 26 60.344 -10.578 1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 26 61.927 -7.194 0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 26 59.282 -9.642 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 26 61.633 -5.334 2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 26 58.980 -7.778 4.844 1.00 0.00 H new ATOM 0 HZ PHE A 26 60.161 -5.626 4.485 1.00 0.00 H new ATOM 420 N ASN A 27 62.879 -12.143 0.042 1.00 0.00 N ATOM 421 CA ASN A 27 63.271 -13.556 0.269 1.00 0.00 C ATOM 422 C ASN A 27 64.773 -13.618 0.541 1.00 0.00 C ATOM 423 O ASN A 27 65.285 -14.584 1.070 1.00 0.00 O ATOM 424 CB ASN A 27 62.923 -14.284 -1.031 1.00 0.00 C ATOM 425 CG ASN A 27 63.375 -15.743 -0.937 1.00 0.00 C ATOM 426 OD1 ASN A 27 63.858 -16.177 0.090 1.00 0.00 O ATOM 427 ND2 ASN A 27 63.236 -16.524 -1.974 1.00 0.00 N ATOM 0 H ASN A 27 62.778 -11.872 -0.936 1.00 0.00 H new ATOM 0 HA ASN A 27 62.763 -14.007 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 27 61.849 -14.236 -1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.410 -13.795 -1.875 1.00 0.00 H new ATOM 0 HD21 ASN A 27 63.533 -17.498 -1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 27 62.831 -16.160 -2.836 1.00 0.00 H new ATOM 434 N ILE A 28 65.477 -12.579 0.186 1.00 0.00 N ATOM 435 CA ILE A 28 66.945 -12.549 0.423 1.00 0.00 C ATOM 436 C ILE A 28 67.222 -12.007 1.833 1.00 0.00 C ATOM 437 O ILE A 28 66.317 -11.605 2.538 1.00 0.00 O ATOM 438 CB ILE A 28 67.495 -11.624 -0.684 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.375 -12.442 -1.631 1.00 0.00 C ATOM 440 CG2 ILE A 28 68.325 -10.477 -0.094 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.752 -11.588 -2.842 1.00 0.00 C ATOM 0 H ILE A 28 65.095 -11.745 -0.261 1.00 0.00 H new ATOM 0 HA ILE A 28 67.419 -13.530 0.379 1.00 0.00 H new ATOM 0 HB ILE A 28 66.649 -11.194 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 28 69.275 -12.774 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 28 67.845 -13.337 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 28 68.697 -9.845 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 28 67.702 -9.883 0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 28 69.167 -10.887 0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.379 -12.171 -3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 28 67.847 -11.278 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 28 69.299 -10.706 -2.509 1.00 0.00 H new ATOM 453 N THR A 29 68.458 -11.995 2.250 1.00 0.00 N ATOM 454 CA THR A 29 68.772 -11.480 3.614 1.00 0.00 C ATOM 455 C THR A 29 70.228 -11.013 3.690 1.00 0.00 C ATOM 456 O THR A 29 70.959 -11.054 2.717 1.00 0.00 O ATOM 457 CB THR A 29 68.550 -12.672 4.546 1.00 0.00 C ATOM 458 OG1 THR A 29 69.407 -13.737 4.158 1.00 0.00 O ATOM 459 CG2 THR A 29 67.093 -13.129 4.459 1.00 0.00 C ATOM 0 H THR A 29 69.261 -12.317 1.709 1.00 0.00 H new ATOM 0 HA THR A 29 68.151 -10.625 3.881 1.00 0.00 H new ATOM 0 HB THR A 29 68.773 -12.378 5.572 1.00 0.00 H new ATOM 0 HG1 THR A 29 69.892 -13.487 3.344 1.00 0.00 H new ATOM 0 HG21 THR A 29 66.938 -13.978 5.124 1.00 0.00 H new ATOM 0 HG22 THR A 29 66.437 -12.311 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 29 66.865 -13.424 3.435 1.00 0.00 H new ATOM 467 N GLU A 30 70.655 -10.574 4.843 1.00 0.00 N ATOM 468 CA GLU A 30 72.062 -10.114 4.985 1.00 0.00 C ATOM 469 C GLU A 30 73.006 -11.181 4.433 1.00 0.00 C ATOM 470 O GLU A 30 74.066 -10.884 3.919 1.00 0.00 O ATOM 471 CB GLU A 30 72.268 -9.933 6.486 1.00 0.00 C ATOM 472 CG GLU A 30 72.627 -8.477 6.779 1.00 0.00 C ATOM 473 CD GLU A 30 71.392 -7.597 6.580 1.00 0.00 C ATOM 474 OE1 GLU A 30 71.082 -7.294 5.439 1.00 0.00 O ATOM 475 OE2 GLU A 30 70.776 -7.241 7.572 1.00 0.00 O ATOM 0 H GLU A 30 70.090 -10.515 5.690 1.00 0.00 H new ATOM 0 HA GLU A 30 72.262 -9.192 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 30 71.362 -10.211 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 30 73.062 -10.592 6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.995 -8.381 7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 30 73.430 -8.149 6.119 1.00 0.00 H new ATOM 482 N ASP A 31 72.620 -12.423 4.524 1.00 0.00 N ATOM 483 CA ASP A 31 73.484 -13.510 3.991 1.00 0.00 C ATOM 484 C ASP A 31 73.749 -13.263 2.508 1.00 0.00 C ATOM 485 O ASP A 31 74.880 -13.197 2.067 1.00 0.00 O ATOM 486 CB ASP A 31 72.680 -14.795 4.191 1.00 0.00 C ATOM 487 CG ASP A 31 73.619 -16.001 4.143 1.00 0.00 C ATOM 488 OD1 ASP A 31 74.472 -16.027 3.271 1.00 0.00 O ATOM 489 OD2 ASP A 31 73.470 -16.877 4.978 1.00 0.00 O ATOM 0 H ASP A 31 71.743 -12.731 4.945 1.00 0.00 H new ATOM 0 HA ASP A 31 74.451 -13.564 4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 31 72.159 -14.765 5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.918 -14.884 3.416 1.00 0.00 H new ATOM 494 N GLU A 32 72.710 -13.108 1.740 1.00 0.00 N ATOM 495 CA GLU A 32 72.890 -12.844 0.286 1.00 0.00 C ATOM 496 C GLU A 32 73.547 -11.479 0.096 1.00 0.00 C ATOM 497 O GLU A 32 74.376 -11.285 -0.776 1.00 0.00 O ATOM 498 CB GLU A 32 71.478 -12.850 -0.300 1.00 0.00 C ATOM 499 CG GLU A 32 70.925 -14.275 -0.284 1.00 0.00 C ATOM 500 CD GLU A 32 70.055 -14.474 0.959 1.00 0.00 C ATOM 501 OE1 GLU A 32 70.467 -14.036 2.021 1.00 0.00 O ATOM 502 OE2 GLU A 32 68.993 -15.059 0.828 1.00 0.00 O ATOM 0 H GLU A 32 71.741 -13.153 2.056 1.00 0.00 H new ATOM 0 HA GLU A 32 73.527 -13.583 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.830 -12.191 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.495 -12.466 -1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 32 70.338 -14.458 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.744 -14.994 -0.286 1.00 0.00 H new ATOM 509 N LEU A 33 73.202 -10.537 0.929 1.00 0.00 N ATOM 510 CA LEU A 33 73.820 -9.191 0.821 1.00 0.00 C ATOM 511 C LEU A 33 75.277 -9.304 1.241 1.00 0.00 C ATOM 512 O LEU A 33 76.138 -8.596 0.756 1.00 0.00 O ATOM 513 CB LEU A 33 73.037 -8.309 1.795 1.00 0.00 C ATOM 514 CG LEU A 33 71.555 -8.325 1.421 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.787 -7.367 2.334 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.392 -7.879 -0.034 1.00 0.00 C ATOM 0 H LEU A 33 72.519 -10.643 1.679 1.00 0.00 H new ATOM 0 HA LEU A 33 73.789 -8.778 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 33 73.169 -8.670 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.419 -7.289 1.766 1.00 0.00 H new ATOM 0 HG LEU A 33 71.162 -9.335 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.730 -7.379 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.903 -7.682 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 33 71.180 -6.357 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.335 -7.890 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.786 -6.869 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.939 -8.560 -0.687 1.00 0.00 H new ATOM 528 N LYS A 34 75.558 -10.216 2.130 1.00 0.00 N ATOM 529 CA LYS A 34 76.958 -10.408 2.575 1.00 0.00 C ATOM 530 C LYS A 34 77.689 -11.268 1.552 1.00 0.00 C ATOM 531 O LYS A 34 78.896 -11.223 1.420 1.00 0.00 O ATOM 532 CB LYS A 34 76.864 -11.123 3.923 1.00 0.00 C ATOM 533 CG LYS A 34 78.259 -11.569 4.363 1.00 0.00 C ATOM 534 CD LYS A 34 78.353 -13.094 4.301 1.00 0.00 C ATOM 535 CE LYS A 34 78.637 -13.645 5.700 1.00 0.00 C ATOM 536 NZ LYS A 34 80.059 -13.296 5.968 1.00 0.00 N ATOM 0 H LYS A 34 74.875 -10.835 2.566 1.00 0.00 H new ATOM 0 HA LYS A 34 77.505 -9.470 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 34 76.431 -10.458 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 34 76.203 -11.986 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 34 79.015 -11.121 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 34 78.460 -11.223 5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 34 77.422 -13.511 3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 34 79.144 -13.393 3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 34 77.974 -13.200 6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.481 -14.723 5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.588 -14.157 6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.476 -12.864 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.108 -12.623 6.759 1.00 0.00 H new ATOM 550 N GLU A 35 76.947 -12.042 0.817 1.00 0.00 N ATOM 551 CA GLU A 35 77.557 -12.909 -0.221 1.00 0.00 C ATOM 552 C GLU A 35 77.865 -12.072 -1.462 1.00 0.00 C ATOM 553 O GLU A 35 78.845 -12.290 -2.146 1.00 0.00 O ATOM 554 CB GLU A 35 76.496 -13.965 -0.532 1.00 0.00 C ATOM 555 CG GLU A 35 77.110 -15.065 -1.400 1.00 0.00 C ATOM 556 CD GLU A 35 76.266 -16.335 -1.286 1.00 0.00 C ATOM 557 OE1 GLU A 35 75.269 -16.300 -0.583 1.00 0.00 O ATOM 558 OE2 GLU A 35 76.629 -17.322 -1.905 1.00 0.00 O ATOM 0 H GLU A 35 75.932 -12.111 0.893 1.00 0.00 H new ATOM 0 HA GLU A 35 78.491 -13.365 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 35 76.109 -14.391 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.653 -13.507 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.157 -14.739 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 35 78.133 -15.266 -1.082 1.00 0.00 H new ATOM 565 N VAL A 36 77.038 -11.102 -1.743 1.00 0.00 N ATOM 566 CA VAL A 36 77.285 -10.233 -2.926 1.00 0.00 C ATOM 567 C VAL A 36 78.232 -9.103 -2.525 1.00 0.00 C ATOM 568 O VAL A 36 79.134 -8.743 -3.253 1.00 0.00 O ATOM 569 CB VAL A 36 75.911 -9.679 -3.311 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.082 -8.439 -4.192 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.130 -10.746 -4.084 1.00 0.00 C ATOM 0 H VAL A 36 76.202 -10.875 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 36 77.743 -10.768 -3.758 1.00 0.00 H new ATOM 0 HB VAL A 36 75.366 -9.408 -2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.102 -8.048 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.638 -7.678 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.629 -8.707 -5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.151 -10.353 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.679 -11.016 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 36 75.003 -11.629 -3.458 1.00 0.00 H new ATOM 581 N PHE A 37 78.029 -8.546 -1.364 1.00 0.00 N ATOM 582 CA PHE A 37 78.904 -7.447 -0.900 1.00 0.00 C ATOM 583 C PHE A 37 80.020 -8.001 -0.009 1.00 0.00 C ATOM 584 O PHE A 37 80.240 -7.535 1.092 1.00 0.00 O ATOM 585 CB PHE A 37 77.972 -6.543 -0.102 1.00 0.00 C ATOM 586 CG PHE A 37 76.821 -6.112 -0.978 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.070 -5.567 -2.242 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.504 -6.261 -0.527 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.002 -5.170 -3.056 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.436 -5.865 -1.341 1.00 0.00 C ATOM 591 CZ PHE A 37 74.685 -5.320 -2.605 1.00 0.00 C ATOM 0 H PHE A 37 77.287 -8.811 -0.716 1.00 0.00 H new ATOM 0 HA PHE A 37 79.394 -6.919 -1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.598 -7.071 0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.515 -5.670 0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.086 -5.452 -2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.312 -6.682 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 37 76.194 -4.748 -4.031 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.420 -5.980 -0.993 1.00 0.00 H new ATOM 0 HZ PHE A 37 73.861 -5.015 -3.233 1.00 0.00 H new ATOM 601 N GLU A 38 80.726 -8.993 -0.477 1.00 0.00 N ATOM 602 CA GLU A 38 81.825 -9.580 0.342 1.00 0.00 C ATOM 603 C GLU A 38 82.704 -8.472 0.931 1.00 0.00 C ATOM 604 O GLU A 38 83.320 -8.640 1.966 1.00 0.00 O ATOM 605 CB GLU A 38 82.630 -10.441 -0.633 1.00 0.00 C ATOM 606 CG GLU A 38 82.298 -11.917 -0.405 1.00 0.00 C ATOM 607 CD GLU A 38 83.586 -12.693 -0.119 1.00 0.00 C ATOM 608 OE1 GLU A 38 84.506 -12.099 0.419 1.00 0.00 O ATOM 609 OE2 GLU A 38 83.629 -13.868 -0.441 1.00 0.00 O ATOM 0 H GLU A 38 80.590 -9.423 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 38 81.445 -10.161 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.398 -10.160 -1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 38 83.697 -10.271 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.606 -12.020 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.801 -12.328 -1.283 1.00 0.00 H new ATOM 616 N ASP A 39 82.768 -7.342 0.283 1.00 0.00 N ATOM 617 CA ASP A 39 83.609 -6.228 0.810 1.00 0.00 C ATOM 618 C ASP A 39 82.798 -5.360 1.775 1.00 0.00 C ATOM 619 O ASP A 39 83.310 -4.434 2.371 1.00 0.00 O ATOM 620 CB ASP A 39 84.017 -5.421 -0.424 1.00 0.00 C ATOM 621 CG ASP A 39 85.541 -5.306 -0.478 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.199 -6.318 -0.305 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.025 -4.206 -0.694 1.00 0.00 O ATOM 0 H ASP A 39 82.276 -7.141 -0.587 1.00 0.00 H new ATOM 0 HA ASP A 39 84.474 -6.592 1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.646 -5.905 -1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.568 -4.428 -0.387 1.00 0.00 H new ATOM 628 N ALA A 40 81.536 -5.653 1.935 1.00 0.00 N ATOM 629 CA ALA A 40 80.697 -4.842 2.864 1.00 0.00 C ATOM 630 C ALA A 40 80.873 -5.335 4.302 1.00 0.00 C ATOM 631 O ALA A 40 80.956 -6.520 4.555 1.00 0.00 O ATOM 632 CB ALA A 40 79.258 -5.061 2.395 1.00 0.00 C ATOM 0 H ALA A 40 81.050 -6.417 1.464 1.00 0.00 H new ATOM 0 HA ALA A 40 80.972 -3.787 2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 40 78.578 -4.495 3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.156 -4.723 1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.013 -6.121 2.455 1.00 0.00 H new ATOM 638 N LEU A 41 80.930 -4.436 5.247 1.00 0.00 N ATOM 639 CA LEU A 41 81.098 -4.856 6.665 1.00 0.00 C ATOM 640 C LEU A 41 79.738 -5.207 7.261 1.00 0.00 C ATOM 641 O LEU A 41 79.572 -6.217 7.915 1.00 0.00 O ATOM 642 CB LEU A 41 81.687 -3.655 7.420 1.00 0.00 C ATOM 643 CG LEU A 41 82.519 -2.770 6.491 1.00 0.00 C ATOM 644 CD1 LEU A 41 83.363 -1.813 7.331 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.436 -3.644 5.633 1.00 0.00 C ATOM 0 H LEU A 41 80.867 -3.429 5.097 1.00 0.00 H new ATOM 0 HA LEU A 41 81.747 -5.728 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.881 -3.068 7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.309 -4.009 8.242 1.00 0.00 H new ATOM 0 HG LEU A 41 81.856 -2.199 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.958 -1.180 6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 41 82.708 -1.190 7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.025 -2.386 7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.028 -3.011 4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.102 -4.217 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 41 82.833 -4.328 5.036 1.00 0.00 H new ATOM 657 N GLU A 42 78.768 -4.366 7.044 1.00 0.00 N ATOM 658 CA GLU A 42 77.412 -4.632 7.605 1.00 0.00 C ATOM 659 C GLU A 42 76.331 -4.316 6.570 1.00 0.00 C ATOM 660 O GLU A 42 76.583 -3.681 5.565 1.00 0.00 O ATOM 661 CB GLU A 42 77.292 -3.695 8.807 1.00 0.00 C ATOM 662 CG GLU A 42 77.905 -4.363 10.039 1.00 0.00 C ATOM 663 CD GLU A 42 77.059 -4.038 11.271 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.876 -2.863 11.547 1.00 0.00 O ATOM 665 OE2 GLU A 42 76.609 -4.969 11.919 1.00 0.00 O ATOM 0 H GLU A 42 78.853 -3.506 6.503 1.00 0.00 H new ATOM 0 HA GLU A 42 77.282 -5.678 7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.801 -2.754 8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.245 -3.457 8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 42 77.955 -5.442 9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.927 -4.013 10.184 1.00 0.00 H new ATOM 672 N ILE A 43 75.129 -4.758 6.811 1.00 0.00 N ATOM 673 CA ILE A 43 74.025 -4.489 5.848 1.00 0.00 C ATOM 674 C ILE A 43 72.676 -4.514 6.571 1.00 0.00 C ATOM 675 O ILE A 43 72.471 -5.268 7.500 1.00 0.00 O ATOM 676 CB ILE A 43 74.103 -5.626 4.832 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.437 -5.547 4.083 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.949 -5.505 3.836 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.399 -6.481 2.873 1.00 0.00 C ATOM 0 H ILE A 43 74.862 -5.296 7.636 1.00 0.00 H new ATOM 0 HA ILE A 43 74.117 -3.510 5.377 1.00 0.00 H new ATOM 0 HB ILE A 43 74.032 -6.582 5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.624 -4.523 3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.256 -5.827 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 43 73.007 -6.318 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 43 72.000 -5.561 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.016 -4.550 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.348 -6.425 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.231 -7.504 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.590 -6.181 2.207 1.00 0.00 H new ATOM 691 N ARG A 44 71.756 -3.696 6.146 1.00 0.00 N ATOM 692 CA ARG A 44 70.421 -3.666 6.796 1.00 0.00 C ATOM 693 C ARG A 44 69.333 -3.760 5.717 1.00 0.00 C ATOM 694 O ARG A 44 69.589 -3.551 4.548 1.00 0.00 O ATOM 695 CB ARG A 44 70.392 -2.319 7.537 1.00 0.00 C ATOM 696 CG ARG A 44 69.017 -1.662 7.409 1.00 0.00 C ATOM 697 CD ARG A 44 68.855 -0.587 8.487 1.00 0.00 C ATOM 698 NE ARG A 44 67.388 -0.349 8.572 1.00 0.00 N ATOM 699 CZ ARG A 44 66.917 0.533 9.410 1.00 0.00 C ATOM 700 NH1 ARG A 44 67.700 1.458 9.894 1.00 0.00 N ATOM 701 NH2 ARG A 44 65.662 0.490 9.765 1.00 0.00 N ATOM 0 H ARG A 44 71.874 -3.043 5.371 1.00 0.00 H new ATOM 0 HA ARG A 44 70.242 -4.494 7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 44 70.631 -2.472 8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 44 71.156 -1.657 7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 44 68.906 -1.218 6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 44 68.234 -2.413 7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 44 69.257 -0.922 9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.388 0.325 8.219 1.00 0.00 H new ATOM 0 HE ARG A 44 66.751 -0.876 7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.681 1.492 9.617 1.00 0.00 H new ATOM 0 HH12 ARG A 44 67.331 2.147 10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 44 65.050 -0.233 9.387 1.00 0.00 H new ATOM 0 HH22 ARG A 44 65.293 1.179 10.420 1.00 0.00 H new ATOM 715 N LEU A 45 68.123 -4.067 6.097 1.00 0.00 N ATOM 716 CA LEU A 45 67.031 -4.169 5.089 1.00 0.00 C ATOM 717 C LEU A 45 66.134 -2.936 5.164 1.00 0.00 C ATOM 718 O LEU A 45 66.145 -2.209 6.137 1.00 0.00 O ATOM 719 CB LEU A 45 66.249 -5.425 5.471 1.00 0.00 C ATOM 720 CG LEU A 45 65.275 -5.778 4.346 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.058 -6.054 3.061 1.00 0.00 C ATOM 722 CD2 LEU A 45 64.479 -7.025 4.734 1.00 0.00 C ATOM 0 H LEU A 45 67.844 -4.251 7.061 1.00 0.00 H new ATOM 0 HA LEU A 45 67.414 -4.226 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 45 66.934 -6.254 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.704 -5.259 6.400 1.00 0.00 H new ATOM 0 HG LEU A 45 64.591 -4.945 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.364 -6.306 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.627 -5.166 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.742 -6.887 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 45 63.785 -7.277 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.163 -7.858 4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 45 63.921 -6.830 5.650 1.00 0.00 H new ATOM 734 N VAL A 46 65.361 -2.687 4.144 1.00 0.00 N ATOM 735 CA VAL A 46 64.475 -1.492 4.168 1.00 0.00 C ATOM 736 C VAL A 46 63.275 -1.678 3.238 1.00 0.00 C ATOM 737 O VAL A 46 63.348 -2.352 2.223 1.00 0.00 O ATOM 738 CB VAL A 46 65.352 -0.345 3.683 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.504 0.921 3.569 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.483 -0.119 4.685 1.00 0.00 C ATOM 0 H VAL A 46 65.305 -3.256 3.299 1.00 0.00 H new ATOM 0 HA VAL A 46 64.067 -1.311 5.162 1.00 0.00 H new ATOM 0 HB VAL A 46 65.775 -0.587 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.126 1.746 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.694 0.754 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.085 1.168 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.114 0.701 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.062 0.129 5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.081 -1.026 4.769 1.00 0.00 H new ATOM 750 N SER A 47 62.172 -1.076 3.583 1.00 0.00 N ATOM 751 CA SER A 47 60.952 -1.199 2.741 1.00 0.00 C ATOM 752 C SER A 47 60.198 0.135 2.705 1.00 0.00 C ATOM 753 O SER A 47 60.756 1.181 2.974 1.00 0.00 O ATOM 754 CB SER A 47 60.114 -2.270 3.432 1.00 0.00 C ATOM 755 OG SER A 47 60.570 -2.440 4.768 1.00 0.00 O ATOM 0 H SER A 47 62.063 -0.500 4.418 1.00 0.00 H new ATOM 0 HA SER A 47 61.181 -1.459 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.063 -1.982 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.188 -3.212 2.888 1.00 0.00 H new ATOM 0 HG SER A 47 60.714 -3.393 4.946 1.00 0.00 H new ATOM 761 N GLN A 48 58.934 0.109 2.378 1.00 0.00 N ATOM 762 CA GLN A 48 58.151 1.378 2.330 1.00 0.00 C ATOM 763 C GLN A 48 56.686 1.090 1.990 1.00 0.00 C ATOM 764 O GLN A 48 55.812 1.190 2.828 1.00 0.00 O ATOM 765 CB GLN A 48 58.805 2.206 1.223 1.00 0.00 C ATOM 766 CG GLN A 48 59.000 3.643 1.710 1.00 0.00 C ATOM 767 CD GLN A 48 60.486 3.899 1.962 1.00 0.00 C ATOM 768 OE1 GLN A 48 61.332 3.181 1.466 1.00 0.00 O ATOM 769 NE2 GLN A 48 60.844 4.901 2.719 1.00 0.00 N ATOM 0 H GLN A 48 58.410 -0.734 2.142 1.00 0.00 H new ATOM 0 HA GLN A 48 58.155 1.899 3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 48 59.765 1.770 0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 48 58.182 2.195 0.329 1.00 0.00 H new ATOM 0 HG2 GLN A 48 58.620 4.345 0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 48 58.431 3.808 2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 48 60.135 5.504 3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 48 61.833 5.081 2.894 1.00 0.00 H new ATOM 778 N ASP A 49 56.414 0.738 0.767 1.00 0.00 N ATOM 779 CA ASP A 49 55.007 0.446 0.365 1.00 0.00 C ATOM 780 C ASP A 49 54.304 -0.387 1.442 1.00 0.00 C ATOM 781 O ASP A 49 53.098 -0.356 1.575 1.00 0.00 O ATOM 782 CB ASP A 49 55.123 -0.350 -0.935 1.00 0.00 C ATOM 783 CG ASP A 49 55.253 0.613 -2.116 1.00 0.00 C ATOM 784 OD1 ASP A 49 55.849 1.663 -1.937 1.00 0.00 O ATOM 785 OD2 ASP A 49 54.753 0.286 -3.180 1.00 0.00 O ATOM 0 H ASP A 49 57.106 0.639 0.024 1.00 0.00 H new ATOM 0 HA ASP A 49 54.420 1.356 0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 49 55.990 -1.010 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 49 54.246 -0.984 -1.065 1.00 0.00 H new ATOM 790 N GLY A 50 55.050 -1.132 2.209 1.00 0.00 N ATOM 791 CA GLY A 50 54.428 -1.968 3.272 1.00 0.00 C ATOM 792 C GLY A 50 55.424 -3.041 3.708 1.00 0.00 C ATOM 793 O GLY A 50 55.143 -4.222 3.663 1.00 0.00 O ATOM 0 H GLY A 50 56.066 -1.198 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 50 54.147 -1.347 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 50 53.514 -2.431 2.900 1.00 0.00 H new ATOM 797 N LYS A 51 56.592 -2.637 4.122 1.00 0.00 N ATOM 798 CA LYS A 51 57.617 -3.624 4.552 1.00 0.00 C ATOM 799 C LYS A 51 57.923 -4.583 3.409 1.00 0.00 C ATOM 800 O LYS A 51 57.827 -5.786 3.539 1.00 0.00 O ATOM 801 CB LYS A 51 56.994 -4.354 5.737 1.00 0.00 C ATOM 802 CG LYS A 51 57.369 -3.632 7.031 1.00 0.00 C ATOM 803 CD LYS A 51 56.105 -3.076 7.691 1.00 0.00 C ATOM 804 CE LYS A 51 55.820 -3.847 8.982 1.00 0.00 C ATOM 805 NZ LYS A 51 54.345 -4.047 8.993 1.00 0.00 N ATOM 0 H LYS A 51 56.881 -1.661 4.181 1.00 0.00 H new ATOM 0 HA LYS A 51 58.562 -3.156 4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 51 55.910 -4.389 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 51 57.345 -5.386 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 51 57.874 -4.319 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 51 58.067 -2.822 6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 51 56.232 -2.016 7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 51 55.259 -3.162 7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 51 56.348 -4.801 8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 51 56.149 -3.287 9.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 54.072 -4.570 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 53.869 -3.122 8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 54.062 -4.589 8.152 1.00 0.00 H new ATOM 819 N SER A 52 58.268 -4.040 2.283 1.00 0.00 N ATOM 820 CA SER A 52 58.566 -4.878 1.099 1.00 0.00 C ATOM 821 C SER A 52 58.999 -4.003 -0.077 1.00 0.00 C ATOM 822 O SER A 52 58.516 -4.155 -1.182 1.00 0.00 O ATOM 823 CB SER A 52 57.232 -5.501 0.800 1.00 0.00 C ATOM 824 OG SER A 52 57.413 -6.730 0.111 1.00 0.00 O ATOM 0 H SER A 52 58.357 -3.035 2.131 1.00 0.00 H new ATOM 0 HA SER A 52 59.367 -5.598 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 52 56.685 -5.672 1.727 1.00 0.00 H new ATOM 0 HB3 SER A 52 56.631 -4.821 0.196 1.00 0.00 H new ATOM 0 HG SER A 52 56.539 -7.130 -0.079 1.00 0.00 H new ATOM 830 N LYS A 53 59.891 -3.086 0.145 1.00 0.00 N ATOM 831 CA LYS A 53 60.331 -2.206 -0.973 1.00 0.00 C ATOM 832 C LYS A 53 61.657 -2.712 -1.541 1.00 0.00 C ATOM 833 O LYS A 53 62.289 -2.061 -2.350 1.00 0.00 O ATOM 834 CB LYS A 53 60.484 -0.818 -0.350 1.00 0.00 C ATOM 835 CG LYS A 53 59.955 0.240 -1.322 1.00 0.00 C ATOM 836 CD LYS A 53 61.111 0.791 -2.158 1.00 0.00 C ATOM 837 CE LYS A 53 60.689 2.114 -2.804 1.00 0.00 C ATOM 838 NZ LYS A 53 59.649 1.741 -3.805 1.00 0.00 N ATOM 0 H LYS A 53 60.334 -2.905 1.046 1.00 0.00 H new ATOM 0 HA LYS A 53 59.623 -2.191 -1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.937 -0.768 0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.532 -0.624 -0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 53 59.197 -0.196 -1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 53 59.474 1.048 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 53 61.988 0.945 -1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 53 61.393 0.072 -2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 53 60.292 2.806 -2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 53 61.536 2.608 -3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 59.506 2.530 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 59.959 0.899 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 58.755 1.534 -3.316 1.00 0.00 H new ATOM 852 N GLY A 54 62.076 -3.877 -1.131 1.00 0.00 N ATOM 853 CA GLY A 54 63.349 -4.440 -1.647 1.00 0.00 C ATOM 854 C GLY A 54 64.496 -3.479 -1.353 1.00 0.00 C ATOM 855 O GLY A 54 65.443 -3.387 -2.108 1.00 0.00 O ATOM 0 H GLY A 54 61.586 -4.465 -0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.544 -5.407 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.273 -4.612 -2.721 1.00 0.00 H new ATOM 859 N ILE A 55 64.430 -2.758 -0.264 1.00 0.00 N ATOM 860 CA ILE A 55 65.543 -1.815 0.051 1.00 0.00 C ATOM 861 C ILE A 55 66.412 -2.394 1.170 1.00 0.00 C ATOM 862 O ILE A 55 65.992 -3.273 1.895 1.00 0.00 O ATOM 863 CB ILE A 55 64.858 -0.525 0.498 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.780 -0.146 -0.521 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.892 0.598 0.589 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.436 0.402 -1.790 1.00 0.00 C ATOM 0 H ILE A 55 63.666 -2.780 0.411 1.00 0.00 H new ATOM 0 HA ILE A 55 66.200 -1.641 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 55 64.400 -0.674 1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 55 63.172 -1.018 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.111 0.601 -0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.403 1.518 0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.661 0.327 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.350 0.751 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.664 0.670 -2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 55 65.025 1.286 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 55 65.087 -0.359 -2.221 1.00 0.00 H new ATOM 878 N ALA A 56 67.622 -1.923 1.312 1.00 0.00 N ATOM 879 CA ALA A 56 68.503 -2.468 2.384 1.00 0.00 C ATOM 880 C ALA A 56 69.766 -1.614 2.521 1.00 0.00 C ATOM 881 O ALA A 56 70.387 -1.250 1.542 1.00 0.00 O ATOM 882 CB ALA A 56 68.859 -3.880 1.918 1.00 0.00 C ATOM 0 H ALA A 56 68.036 -1.190 0.736 1.00 0.00 H new ATOM 0 HA ALA A 56 68.016 -2.468 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.509 -4.353 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 56 67.947 -4.467 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.375 -3.827 0.959 1.00 0.00 H new ATOM 888 N TYR A 57 70.155 -1.295 3.725 1.00 0.00 N ATOM 889 CA TYR A 57 71.384 -0.468 3.913 1.00 0.00 C ATOM 890 C TYR A 57 72.626 -1.348 3.774 1.00 0.00 C ATOM 891 O TYR A 57 72.584 -2.538 4.018 1.00 0.00 O ATOM 892 CB TYR A 57 71.278 0.097 5.330 1.00 0.00 C ATOM 893 CG TYR A 57 70.940 1.566 5.261 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.925 2.496 4.906 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.641 2.000 5.553 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.611 3.859 4.842 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.327 3.362 5.489 1.00 0.00 C ATOM 898 CZ TYR A 57 70.311 4.293 5.134 1.00 0.00 C ATOM 899 OH TYR A 57 70.002 5.635 5.071 1.00 0.00 O ATOM 0 H TYR A 57 69.678 -1.569 4.584 1.00 0.00 H new ATOM 0 HA TYR A 57 71.467 0.326 3.171 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.511 -0.438 5.890 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.219 -0.046 5.862 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.927 2.162 4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.881 1.283 5.828 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.371 4.576 4.568 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.325 3.696 5.714 1.00 0.00 H new ATOM 0 HH TYR A 57 69.058 5.765 5.302 1.00 0.00 H new ATOM 909 N ILE A 58 73.730 -0.779 3.380 1.00 0.00 N ATOM 910 CA ILE A 58 74.968 -1.592 3.218 1.00 0.00 C ATOM 911 C ILE A 58 76.206 -0.752 3.550 1.00 0.00 C ATOM 912 O ILE A 58 76.453 0.272 2.944 1.00 0.00 O ATOM 913 CB ILE A 58 74.968 -2.006 1.745 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.570 -2.507 1.360 1.00 0.00 C ATOM 915 CG2 ILE A 58 75.985 -3.124 1.528 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.633 -3.238 0.017 1.00 0.00 C ATOM 0 H ILE A 58 73.829 0.213 3.163 1.00 0.00 H new ATOM 0 HA ILE A 58 74.992 -2.454 3.885 1.00 0.00 H new ATOM 0 HB ILE A 58 75.234 -1.149 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.188 -3.176 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.878 -1.667 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 58 75.984 -3.418 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 58 76.978 -2.771 1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.720 -3.982 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.638 -3.592 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.996 -2.556 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.311 -4.088 0.097 1.00 0.00 H new ATOM 928 N GLU A 59 76.990 -1.179 4.506 1.00 0.00 N ATOM 929 CA GLU A 59 78.214 -0.406 4.875 1.00 0.00 C ATOM 930 C GLU A 59 79.460 -1.188 4.460 1.00 0.00 C ATOM 931 O GLU A 59 79.504 -2.397 4.563 1.00 0.00 O ATOM 932 CB GLU A 59 78.196 -0.229 6.409 1.00 0.00 C ATOM 933 CG GLU A 59 76.868 -0.700 7.020 1.00 0.00 C ATOM 934 CD GLU A 59 75.714 0.124 6.445 1.00 0.00 C ATOM 935 OE1 GLU A 59 75.684 1.318 6.694 1.00 0.00 O ATOM 936 OE2 GLU A 59 74.881 -0.452 5.766 1.00 0.00 O ATOM 0 H GLU A 59 76.836 -2.030 5.047 1.00 0.00 H new ATOM 0 HA GLU A 59 78.231 0.561 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 59 79.019 -0.791 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.358 0.820 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.714 -1.758 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 59 76.898 -0.594 8.104 1.00 0.00 H new ATOM 943 N PHE A 60 80.477 -0.515 3.993 1.00 0.00 N ATOM 944 CA PHE A 60 81.707 -1.240 3.580 1.00 0.00 C ATOM 945 C PHE A 60 82.913 -0.753 4.379 1.00 0.00 C ATOM 946 O PHE A 60 82.833 0.185 5.147 1.00 0.00 O ATOM 947 CB PHE A 60 81.886 -0.919 2.102 1.00 0.00 C ATOM 948 CG PHE A 60 80.745 -1.515 1.315 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.444 -1.030 1.491 1.00 0.00 C ATOM 950 CD2 PHE A 60 80.988 -2.556 0.412 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.385 -1.586 0.763 1.00 0.00 C ATOM 952 CE2 PHE A 60 79.930 -3.113 -0.316 1.00 0.00 C ATOM 953 CZ PHE A 60 78.628 -2.628 -0.141 1.00 0.00 C ATOM 0 H PHE A 60 80.507 0.498 3.881 1.00 0.00 H new ATOM 0 HA PHE A 60 81.623 -2.312 3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.918 0.161 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.835 -1.318 1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.257 -0.227 2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 60 81.992 -2.930 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.381 -1.212 0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.118 -3.917 -1.013 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.812 -3.057 -0.703 1.00 0.00 H new ATOM 963 N LYS A 61 84.028 -1.395 4.198 1.00 0.00 N ATOM 964 CA LYS A 61 85.260 -0.995 4.939 1.00 0.00 C ATOM 965 C LYS A 61 85.777 0.350 4.424 1.00 0.00 C ATOM 966 O LYS A 61 86.546 1.023 5.081 1.00 0.00 O ATOM 967 CB LYS A 61 86.273 -2.103 4.650 1.00 0.00 C ATOM 968 CG LYS A 61 87.199 -2.277 5.856 1.00 0.00 C ATOM 969 CD LYS A 61 88.653 -2.121 5.410 1.00 0.00 C ATOM 970 CE LYS A 61 89.512 -1.699 6.606 1.00 0.00 C ATOM 971 NZ LYS A 61 90.307 -0.539 6.116 1.00 0.00 N ATOM 0 H LYS A 61 84.144 -2.186 3.565 1.00 0.00 H new ATOM 0 HA LYS A 61 85.077 -0.876 6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.754 -3.038 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.856 -1.855 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 61 86.961 -1.537 6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 61 87.049 -3.259 6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 61 89.021 -3.061 4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 61 88.723 -1.376 4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 61 88.893 -1.422 7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 61 90.160 -2.512 6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.922 -0.192 6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 90.891 -0.835 5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.664 0.222 5.817 1.00 0.00 H new ATOM 985 N SER A 62 85.362 0.747 3.254 1.00 0.00 N ATOM 986 CA SER A 62 85.834 2.049 2.705 1.00 0.00 C ATOM 987 C SER A 62 85.085 2.385 1.414 1.00 0.00 C ATOM 988 O SER A 62 84.382 1.563 0.856 1.00 0.00 O ATOM 989 CB SER A 62 87.321 1.843 2.421 1.00 0.00 C ATOM 990 OG SER A 62 87.593 0.451 2.326 1.00 0.00 O ATOM 0 H SER A 62 84.719 0.229 2.656 1.00 0.00 H new ATOM 0 HA SER A 62 85.660 2.874 3.396 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.599 2.344 1.493 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.920 2.289 3.215 1.00 0.00 H new ATOM 0 HG SER A 62 87.458 0.154 1.402 1.00 0.00 H new ATOM 996 N GLU A 63 85.233 3.588 0.933 1.00 0.00 N ATOM 997 CA GLU A 63 84.534 3.981 -0.322 1.00 0.00 C ATOM 998 C GLU A 63 84.928 3.036 -1.456 1.00 0.00 C ATOM 999 O GLU A 63 84.115 2.663 -2.277 1.00 0.00 O ATOM 1000 CB GLU A 63 85.014 5.401 -0.617 1.00 0.00 C ATOM 1001 CG GLU A 63 84.680 6.311 0.566 1.00 0.00 C ATOM 1002 CD GLU A 63 85.718 7.431 0.659 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.895 7.132 0.541 1.00 0.00 O ATOM 1004 OE2 GLU A 63 85.318 8.568 0.845 1.00 0.00 O ATOM 0 H GLU A 63 85.808 4.317 1.355 1.00 0.00 H new ATOM 0 HA GLU A 63 83.449 3.932 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 63 86.089 5.402 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.538 5.776 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.683 6.734 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.669 5.734 1.490 1.00 0.00 H new ATOM 1011 N ALA A 64 86.171 2.641 -1.509 1.00 0.00 N ATOM 1012 CA ALA A 64 86.608 1.722 -2.590 1.00 0.00 C ATOM 1013 C ALA A 64 85.846 0.404 -2.485 1.00 0.00 C ATOM 1014 O ALA A 64 85.455 -0.179 -3.476 1.00 0.00 O ATOM 1015 CB ALA A 64 88.103 1.504 -2.355 1.00 0.00 C ATOM 0 H ALA A 64 86.899 2.916 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 64 86.416 2.127 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.497 0.833 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.623 2.460 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.256 1.063 -1.370 1.00 0.00 H new ATOM 1021 N ASP A 65 85.612 -0.059 -1.290 1.00 0.00 N ATOM 1022 CA ASP A 65 84.852 -1.327 -1.129 1.00 0.00 C ATOM 1023 C ASP A 65 83.404 -1.080 -1.536 1.00 0.00 C ATOM 1024 O ASP A 65 82.865 -1.736 -2.408 1.00 0.00 O ATOM 1025 CB ASP A 65 84.950 -1.668 0.358 1.00 0.00 C ATOM 1026 CG ASP A 65 86.402 -1.990 0.715 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.281 -1.332 0.182 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.610 -2.888 1.514 1.00 0.00 O ATOM 0 H ASP A 65 85.913 0.384 -0.422 1.00 0.00 H new ATOM 0 HA ASP A 65 85.237 -2.141 -1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.594 -0.830 0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.310 -2.520 0.589 1.00 0.00 H new ATOM 1033 N ALA A 66 82.775 -0.115 -0.922 1.00 0.00 N ATOM 1034 CA ALA A 66 81.367 0.199 -1.281 1.00 0.00 C ATOM 1035 C ALA A 66 81.294 0.646 -2.745 1.00 0.00 C ATOM 1036 O ALA A 66 80.357 0.335 -3.451 1.00 0.00 O ATOM 1037 CB ALA A 66 80.963 1.340 -0.349 1.00 0.00 C ATOM 0 H ALA A 66 83.177 0.468 -0.188 1.00 0.00 H new ATOM 0 HA ALA A 66 80.707 -0.661 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.932 1.629 -0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.049 1.012 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.619 2.195 -0.514 1.00 0.00 H new ATOM 1043 N GLU A 67 82.283 1.369 -3.209 1.00 0.00 N ATOM 1044 CA GLU A 67 82.267 1.826 -4.625 1.00 0.00 C ATOM 1045 C GLU A 67 82.621 0.661 -5.551 1.00 0.00 C ATOM 1046 O GLU A 67 81.977 0.434 -6.559 1.00 0.00 O ATOM 1047 CB GLU A 67 83.333 2.921 -4.706 1.00 0.00 C ATOM 1048 CG GLU A 67 83.326 3.541 -6.104 1.00 0.00 C ATOM 1049 CD GLU A 67 83.019 5.036 -5.998 1.00 0.00 C ATOM 1050 OE1 GLU A 67 83.625 5.688 -5.164 1.00 0.00 O ATOM 1051 OE2 GLU A 67 82.183 5.505 -6.754 1.00 0.00 O ATOM 0 H GLU A 67 83.097 1.660 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 67 81.288 2.194 -4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 67 83.139 3.688 -3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.316 2.503 -4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.293 3.391 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.580 3.049 -6.728 1.00 0.00 H new ATOM 1058 N LYS A 68 83.632 -0.090 -5.208 1.00 0.00 N ATOM 1059 CA LYS A 68 84.011 -1.246 -6.060 1.00 0.00 C ATOM 1060 C LYS A 68 82.798 -2.154 -6.213 1.00 0.00 C ATOM 1061 O LYS A 68 82.489 -2.623 -7.288 1.00 0.00 O ATOM 1062 CB LYS A 68 85.129 -1.959 -5.298 1.00 0.00 C ATOM 1063 CG LYS A 68 85.391 -3.325 -5.934 1.00 0.00 C ATOM 1064 CD LYS A 68 86.082 -3.136 -7.285 1.00 0.00 C ATOM 1065 CE LYS A 68 86.447 -4.503 -7.868 1.00 0.00 C ATOM 1066 NZ LYS A 68 87.705 -4.894 -7.173 1.00 0.00 N ATOM 0 H LYS A 68 84.208 0.048 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 68 84.340 -0.954 -7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.038 -1.357 -5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.850 -2.081 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.015 -3.930 -5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 68 84.452 -3.862 -6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.424 -2.601 -7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.979 -2.529 -7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 68 85.656 -5.232 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.593 -4.446 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 88.503 -4.826 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.869 -4.257 -6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 87.622 -5.872 -6.830 1.00 0.00 H new ATOM 1080 N ASN A 69 82.098 -2.388 -5.139 1.00 0.00 N ATOM 1081 CA ASN A 69 80.889 -3.249 -5.216 1.00 0.00 C ATOM 1082 C ASN A 69 79.779 -2.509 -5.966 1.00 0.00 C ATOM 1083 O ASN A 69 79.088 -3.076 -6.790 1.00 0.00 O ATOM 1084 CB ASN A 69 80.490 -3.496 -3.763 1.00 0.00 C ATOM 1085 CG ASN A 69 80.942 -4.895 -3.347 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.150 -5.815 -3.304 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.193 -5.098 -3.042 1.00 0.00 N ATOM 0 H ASN A 69 82.312 -2.020 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 69 81.069 -4.183 -5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 69 80.946 -2.747 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.410 -3.401 -3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.506 -6.029 -2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 69 82.858 -4.326 -3.078 1.00 0.00 H new ATOM 1094 N LEU A 70 79.611 -1.244 -5.690 1.00 0.00 N ATOM 1095 CA LEU A 70 78.553 -0.465 -6.393 1.00 0.00 C ATOM 1096 C LEU A 70 78.754 -0.560 -7.904 1.00 0.00 C ATOM 1097 O LEU A 70 77.810 -0.612 -8.666 1.00 0.00 O ATOM 1098 CB LEU A 70 78.737 0.978 -5.921 1.00 0.00 C ATOM 1099 CG LEU A 70 77.491 1.434 -5.161 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.274 1.367 -6.086 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.267 0.519 -3.956 1.00 0.00 C ATOM 0 H LEU A 70 80.159 -0.718 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 70 77.552 -0.838 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 70 79.614 1.052 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 70 78.913 1.631 -6.776 1.00 0.00 H new ATOM 0 HG LEU A 70 77.629 2.460 -4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.386 1.692 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.433 2.019 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 70 76.134 0.342 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 70 76.379 0.843 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 70 77.129 -0.507 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.133 0.568 -3.296 1.00 0.00 H new ATOM 1113 N GLU A 71 79.980 -0.584 -8.342 1.00 0.00 N ATOM 1114 CA GLU A 71 80.245 -0.676 -9.807 1.00 0.00 C ATOM 1115 C GLU A 71 80.548 -2.125 -10.204 1.00 0.00 C ATOM 1116 O GLU A 71 80.540 -2.472 -11.368 1.00 0.00 O ATOM 1117 CB GLU A 71 81.468 0.213 -10.044 1.00 0.00 C ATOM 1118 CG GLU A 71 82.715 -0.470 -9.479 1.00 0.00 C ATOM 1119 CD GLU A 71 83.865 0.537 -9.415 1.00 0.00 C ATOM 1120 OE1 GLU A 71 83.643 1.629 -8.916 1.00 0.00 O ATOM 1121 OE2 GLU A 71 84.948 0.201 -9.865 1.00 0.00 O ATOM 0 H GLU A 71 80.811 -0.544 -7.751 1.00 0.00 H new ATOM 0 HA GLU A 71 79.388 -0.359 -10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.594 0.399 -11.111 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.324 1.182 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.507 -0.864 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.994 -1.317 -10.106 1.00 0.00 H new ATOM 1128 N GLU A 72 80.825 -2.970 -9.248 1.00 0.00 N ATOM 1129 CA GLU A 72 81.138 -4.385 -9.572 1.00 0.00 C ATOM 1130 C GLU A 72 79.866 -5.239 -9.587 1.00 0.00 C ATOM 1131 O GLU A 72 79.848 -6.322 -10.139 1.00 0.00 O ATOM 1132 CB GLU A 72 82.079 -4.852 -8.462 1.00 0.00 C ATOM 1133 CG GLU A 72 82.387 -6.341 -8.644 1.00 0.00 C ATOM 1134 CD GLU A 72 82.045 -7.095 -7.359 1.00 0.00 C ATOM 1135 OE1 GLU A 72 81.987 -6.459 -6.318 1.00 0.00 O ATOM 1136 OE2 GLU A 72 81.845 -8.296 -7.435 1.00 0.00 O ATOM 0 H GLU A 72 80.847 -2.738 -8.255 1.00 0.00 H new ATOM 0 HA GLU A 72 81.588 -4.480 -10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.002 -4.273 -8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.622 -4.681 -7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 72 81.811 -6.743 -9.478 1.00 0.00 H new ATOM 0 HG3 GLU A 72 83.440 -6.478 -8.889 1.00 0.00 H new ATOM 1143 N LYS A 73 78.804 -4.775 -8.986 1.00 0.00 N ATOM 1144 CA LYS A 73 77.553 -5.583 -8.975 1.00 0.00 C ATOM 1145 C LYS A 73 76.396 -4.784 -9.570 1.00 0.00 C ATOM 1146 O LYS A 73 75.896 -5.097 -10.632 1.00 0.00 O ATOM 1147 CB LYS A 73 77.290 -5.885 -7.500 1.00 0.00 C ATOM 1148 CG LYS A 73 77.095 -7.390 -7.313 1.00 0.00 C ATOM 1149 CD LYS A 73 78.414 -8.024 -6.864 1.00 0.00 C ATOM 1150 CE LYS A 73 78.453 -9.488 -7.306 1.00 0.00 C ATOM 1151 NZ LYS A 73 79.400 -9.516 -8.456 1.00 0.00 N ATOM 0 H LYS A 73 78.749 -3.877 -8.505 1.00 0.00 H new ATOM 0 HA LYS A 73 77.647 -6.492 -9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.126 -5.538 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 73 76.404 -5.348 -7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 73 76.318 -7.577 -6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 73 76.761 -7.843 -8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.256 -7.481 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.511 -7.957 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 73 78.793 -10.136 -6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 73 77.464 -9.838 -7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 79.572 -10.502 -8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 78.991 -8.992 -9.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 80.299 -9.074 -8.176 1.00 0.00 H new ATOM 1165 N GLN A 74 75.973 -3.756 -8.884 1.00 0.00 N ATOM 1166 CA GLN A 74 74.839 -2.918 -9.387 1.00 0.00 C ATOM 1167 C GLN A 74 73.809 -3.785 -10.121 1.00 0.00 C ATOM 1168 O GLN A 74 73.890 -3.978 -11.318 1.00 0.00 O ATOM 1169 CB GLN A 74 75.480 -1.922 -10.354 1.00 0.00 C ATOM 1170 CG GLN A 74 74.464 -0.836 -10.713 1.00 0.00 C ATOM 1171 CD GLN A 74 74.119 -0.025 -9.462 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.427 -0.506 -8.586 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.573 1.192 -9.341 1.00 0.00 N ATOM 0 H GLN A 74 76.365 -3.457 -7.991 1.00 0.00 H new ATOM 0 HA GLN A 74 74.309 -2.421 -8.574 1.00 0.00 H new ATOM 0 HB2 GLN A 74 76.363 -1.473 -9.899 1.00 0.00 H new ATOM 0 HB3 GLN A 74 75.813 -2.436 -11.256 1.00 0.00 H new ATOM 0 HG2 GLN A 74 74.873 -0.181 -11.482 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.562 -1.289 -11.126 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.154 1.595 -10.076 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.347 1.740 -8.511 1.00 0.00 H new ATOM 1182 N GLY A 75 72.843 -4.315 -9.418 1.00 0.00 N ATOM 1183 CA GLY A 75 71.824 -5.171 -10.089 1.00 0.00 C ATOM 1184 C GLY A 75 71.863 -6.574 -9.483 1.00 0.00 C ATOM 1185 O GLY A 75 70.841 -7.200 -9.301 1.00 0.00 O ATOM 0 H GLY A 75 72.717 -4.192 -8.413 1.00 0.00 H new ATOM 0 HA2 GLY A 75 70.831 -4.738 -9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.022 -5.220 -11.160 1.00 0.00 H new ATOM 1189 N ALA A 76 73.046 -7.054 -9.169 1.00 0.00 N ATOM 1190 CA ALA A 76 73.213 -8.416 -8.559 1.00 0.00 C ATOM 1191 C ALA A 76 72.000 -9.318 -8.817 1.00 0.00 C ATOM 1192 O ALA A 76 70.989 -9.216 -8.150 1.00 0.00 O ATOM 1193 CB ALA A 76 73.366 -8.154 -7.060 1.00 0.00 C ATOM 0 H ALA A 76 73.920 -6.549 -9.313 1.00 0.00 H new ATOM 0 HA ALA A 76 74.067 -8.938 -8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 76 73.494 -9.101 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 76 74.239 -7.524 -6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 76 72.475 -7.650 -6.686 1.00 0.00 H new ATOM 1199 N GLU A 77 72.093 -10.202 -9.771 1.00 0.00 N ATOM 1200 CA GLU A 77 70.943 -11.109 -10.058 1.00 0.00 C ATOM 1201 C GLU A 77 70.777 -12.120 -8.920 1.00 0.00 C ATOM 1202 O GLU A 77 71.495 -13.097 -8.836 1.00 0.00 O ATOM 1203 CB GLU A 77 71.313 -11.823 -11.358 1.00 0.00 C ATOM 1204 CG GLU A 77 70.159 -12.729 -11.791 1.00 0.00 C ATOM 1205 CD GLU A 77 70.351 -14.124 -11.193 1.00 0.00 C ATOM 1206 OE1 GLU A 77 71.262 -14.812 -11.623 1.00 0.00 O ATOM 1207 OE2 GLU A 77 69.583 -14.481 -10.314 1.00 0.00 O ATOM 0 H GLU A 77 72.912 -10.337 -10.364 1.00 0.00 H new ATOM 0 HA GLU A 77 70.001 -10.568 -10.147 1.00 0.00 H new ATOM 0 HB2 GLU A 77 71.528 -11.092 -12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.219 -12.413 -11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 77 69.209 -12.308 -11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.120 -12.791 -12.879 1.00 0.00 H new ATOM 1214 N ILE A 78 69.836 -11.895 -8.041 1.00 0.00 N ATOM 1215 CA ILE A 78 69.630 -12.844 -6.910 1.00 0.00 C ATOM 1216 C ILE A 78 68.136 -13.019 -6.649 1.00 0.00 C ATOM 1217 O ILE A 78 67.321 -12.274 -7.149 1.00 0.00 O ATOM 1218 CB ILE A 78 70.290 -12.185 -5.700 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.613 -11.531 -6.112 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.562 -13.244 -4.629 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.624 -12.613 -6.489 1.00 0.00 C ATOM 0 H ILE A 78 69.202 -11.096 -8.058 1.00 0.00 H new ATOM 0 HA ILE A 78 70.051 -13.827 -7.121 1.00 0.00 H new ATOM 0 HB ILE A 78 69.622 -11.421 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 78 71.451 -10.860 -6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.002 -10.925 -5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.033 -12.775 -3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.622 -13.704 -4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.225 -14.008 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.564 -12.146 -6.782 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.794 -13.266 -5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.236 -13.200 -7.321 1.00 0.00 H new ATOM 1233 N ASP A 79 67.772 -13.990 -5.864 1.00 0.00 N ATOM 1234 CA ASP A 79 66.330 -14.200 -5.570 1.00 0.00 C ATOM 1235 C ASP A 79 65.506 -14.068 -6.855 1.00 0.00 C ATOM 1236 O ASP A 79 64.415 -13.535 -6.853 1.00 0.00 O ATOM 1237 CB ASP A 79 65.962 -13.091 -4.583 1.00 0.00 C ATOM 1238 CG ASP A 79 65.162 -13.685 -3.422 1.00 0.00 C ATOM 1239 OD1 ASP A 79 64.249 -14.450 -3.688 1.00 0.00 O ATOM 1240 OD2 ASP A 79 65.476 -13.365 -2.288 1.00 0.00 O ATOM 0 H ASP A 79 68.409 -14.647 -5.413 1.00 0.00 H new ATOM 0 HA ASP A 79 66.131 -15.191 -5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.865 -12.610 -4.208 1.00 0.00 H new ATOM 0 HB3 ASP A 79 65.376 -12.322 -5.086 1.00 0.00 H new ATOM 1245 N GLY A 80 66.022 -14.552 -7.952 1.00 0.00 N ATOM 1246 CA GLY A 80 65.277 -14.457 -9.234 1.00 0.00 C ATOM 1247 C GLY A 80 65.042 -12.986 -9.586 1.00 0.00 C ATOM 1248 O GLY A 80 64.164 -12.654 -10.357 1.00 0.00 O ATOM 0 H GLY A 80 66.931 -15.010 -8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 80 65.839 -14.946 -10.030 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.323 -14.978 -9.151 1.00 0.00 H new ATOM 1252 N ARG A 81 65.824 -12.101 -9.027 1.00 0.00 N ATOM 1253 CA ARG A 81 65.653 -10.651 -9.326 1.00 0.00 C ATOM 1254 C ARG A 81 67.014 -9.951 -9.311 1.00 0.00 C ATOM 1255 O ARG A 81 68.039 -10.563 -9.540 1.00 0.00 O ATOM 1256 CB ARG A 81 64.762 -10.117 -8.205 1.00 0.00 C ATOM 1257 CG ARG A 81 63.443 -10.893 -8.187 1.00 0.00 C ATOM 1258 CD ARG A 81 62.329 -9.998 -7.639 1.00 0.00 C ATOM 1259 NE ARG A 81 61.416 -10.922 -6.910 1.00 0.00 N ATOM 1260 CZ ARG A 81 60.240 -11.200 -7.403 1.00 0.00 C ATOM 1261 NH1 ARG A 81 59.523 -10.258 -7.953 1.00 0.00 N ATOM 1262 NH2 ARG A 81 59.780 -12.419 -7.345 1.00 0.00 N ATOM 0 H ARG A 81 66.576 -12.322 -8.374 1.00 0.00 H new ATOM 0 HA ARG A 81 65.215 -10.478 -10.309 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.268 -10.217 -7.245 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.569 -9.055 -8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 81 63.192 -11.228 -9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 81 63.543 -11.786 -7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 81 62.729 -9.232 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 81 61.807 -9.480 -8.444 1.00 0.00 H new ATOM 0 HE ARG A 81 61.710 -11.337 -6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 81 59.882 -9.304 -7.998 1.00 0.00 H new ATOM 0 HH12 ARG A 81 58.604 -10.476 -8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 81 60.339 -13.155 -6.914 1.00 0.00 H new ATOM 0 HH22 ARG A 81 58.861 -12.636 -7.730 1.00 0.00 H new ATOM 1276 N SER A 82 67.036 -8.674 -9.043 1.00 0.00 N ATOM 1277 CA SER A 82 68.336 -7.946 -9.016 1.00 0.00 C ATOM 1278 C SER A 82 68.408 -7.017 -7.801 1.00 0.00 C ATOM 1279 O SER A 82 67.409 -6.512 -7.330 1.00 0.00 O ATOM 1280 CB SER A 82 68.361 -7.134 -10.310 1.00 0.00 C ATOM 1281 OG SER A 82 69.257 -7.744 -11.230 1.00 0.00 O ATOM 0 H SER A 82 66.213 -8.105 -8.842 1.00 0.00 H new ATOM 0 HA SER A 82 69.184 -8.627 -8.941 1.00 0.00 H new ATOM 0 HB2 SER A 82 67.361 -7.082 -10.739 1.00 0.00 H new ATOM 0 HB3 SER A 82 68.674 -6.110 -10.105 1.00 0.00 H new ATOM 0 HG SER A 82 70.145 -7.817 -10.822 1.00 0.00 H new ATOM 1287 N VAL A 83 69.590 -6.786 -7.299 1.00 0.00 N ATOM 1288 CA VAL A 83 69.744 -5.888 -6.121 1.00 0.00 C ATOM 1289 C VAL A 83 70.524 -4.632 -6.523 1.00 0.00 C ATOM 1290 O VAL A 83 71.709 -4.684 -6.784 1.00 0.00 O ATOM 1291 CB VAL A 83 70.526 -6.714 -5.100 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.958 -5.820 -3.937 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.637 -7.842 -4.572 1.00 0.00 C ATOM 0 H VAL A 83 70.459 -7.183 -7.656 1.00 0.00 H new ATOM 0 HA VAL A 83 68.788 -5.551 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 83 71.410 -7.137 -5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 83 71.515 -6.412 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.591 -5.016 -4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 83 70.076 -5.394 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.193 -8.433 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.754 -7.417 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.331 -8.482 -5.400 1.00 0.00 H new ATOM 1303 N SER A 84 69.865 -3.507 -6.579 1.00 0.00 N ATOM 1304 CA SER A 84 70.565 -2.251 -6.970 1.00 0.00 C ATOM 1305 C SER A 84 71.286 -1.648 -5.764 1.00 0.00 C ATOM 1306 O SER A 84 71.016 -1.993 -4.631 1.00 0.00 O ATOM 1307 CB SER A 84 69.458 -1.318 -7.457 1.00 0.00 C ATOM 1308 OG SER A 84 68.918 -1.822 -8.672 1.00 0.00 O ATOM 0 H SER A 84 68.872 -3.403 -6.371 1.00 0.00 H new ATOM 0 HA SER A 84 71.321 -2.421 -7.736 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.675 -1.240 -6.703 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.854 -0.314 -7.611 1.00 0.00 H new ATOM 0 HG SER A 84 68.206 -1.226 -8.986 1.00 0.00 H new ATOM 1314 N LEU A 85 72.205 -0.753 -6.000 1.00 0.00 N ATOM 1315 CA LEU A 85 72.947 -0.134 -4.866 1.00 0.00 C ATOM 1316 C LEU A 85 72.885 1.392 -4.953 1.00 0.00 C ATOM 1317 O LEU A 85 73.268 1.984 -5.943 1.00 0.00 O ATOM 1318 CB LEU A 85 74.384 -0.625 -5.027 1.00 0.00 C ATOM 1319 CG LEU A 85 74.456 -2.109 -4.676 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.808 -2.674 -5.115 1.00 0.00 C ATOM 1321 CD2 LEU A 85 74.296 -2.279 -3.164 1.00 0.00 C ATOM 0 H LEU A 85 72.474 -0.424 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 85 72.525 -0.407 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.722 -0.466 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.050 -0.054 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 85 73.658 -2.645 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.858 -3.733 -4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.922 -2.550 -6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.609 -2.141 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 85 74.347 -3.338 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 85 75.095 -1.744 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 85 73.332 -1.877 -2.853 1.00 0.00 H new ATOM 1333 N TYR A 86 72.410 2.033 -3.920 1.00 0.00 N ATOM 1334 CA TYR A 86 72.326 3.519 -3.936 1.00 0.00 C ATOM 1335 C TYR A 86 73.251 4.107 -2.872 1.00 0.00 C ATOM 1336 O TYR A 86 72.905 4.175 -1.711 1.00 0.00 O ATOM 1337 CB TYR A 86 70.879 3.841 -3.586 1.00 0.00 C ATOM 1338 CG TYR A 86 69.973 3.434 -4.717 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.846 2.085 -5.059 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.253 4.407 -5.419 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.998 1.706 -6.105 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.406 4.029 -6.466 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.278 2.678 -6.809 1.00 0.00 C ATOM 1344 OH TYR A 86 67.442 2.305 -7.842 1.00 0.00 O ATOM 0 H TYR A 86 72.076 1.590 -3.064 1.00 0.00 H new ATOM 0 HA TYR A 86 72.622 3.933 -4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.592 3.319 -2.673 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.772 4.908 -3.390 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.402 1.335 -4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.351 5.449 -5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.899 0.664 -6.369 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.851 4.779 -7.010 1.00 0.00 H new ATOM 0 HH TYR A 86 67.018 3.102 -8.223 1.00 0.00 H new ATOM 1354 N TYR A 87 74.418 4.535 -3.254 1.00 0.00 N ATOM 1355 CA TYR A 87 75.349 5.119 -2.264 1.00 0.00 C ATOM 1356 C TYR A 87 74.650 6.239 -1.486 1.00 0.00 C ATOM 1357 O TYR A 87 73.449 6.406 -1.559 1.00 0.00 O ATOM 1358 CB TYR A 87 76.498 5.672 -3.099 1.00 0.00 C ATOM 1359 CG TYR A 87 77.816 5.205 -2.527 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.951 5.004 -1.149 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.904 4.972 -3.378 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.173 4.571 -0.620 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.125 4.539 -2.849 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.260 4.337 -1.470 1.00 0.00 C ATOM 1365 OH TYR A 87 81.464 3.909 -0.950 1.00 0.00 O ATOM 0 H TYR A 87 74.765 4.504 -4.213 1.00 0.00 H new ATOM 0 HA TYR A 87 75.693 4.393 -1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.401 5.340 -4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.461 6.761 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.112 5.183 -0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.801 5.126 -4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.277 4.418 0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.964 4.360 -3.505 1.00 0.00 H new ATOM 0 HH TYR A 87 81.542 4.204 -0.019 1.00 0.00 H new ATOM 1375 N THR A 88 75.390 7.009 -0.742 1.00 0.00 N ATOM 1376 CA THR A 88 74.758 8.114 0.040 1.00 0.00 C ATOM 1377 C THR A 88 75.624 9.376 -0.011 1.00 0.00 C ATOM 1378 O THR A 88 75.866 10.015 0.992 1.00 0.00 O ATOM 1379 CB THR A 88 74.669 7.581 1.470 1.00 0.00 C ATOM 1380 OG1 THR A 88 75.850 6.853 1.776 1.00 0.00 O ATOM 1381 CG2 THR A 88 73.453 6.663 1.598 1.00 0.00 C ATOM 0 H THR A 88 76.401 6.925 -0.639 1.00 0.00 H new ATOM 0 HA THR A 88 73.782 8.391 -0.357 1.00 0.00 H new ATOM 0 HB THR A 88 74.566 8.415 2.164 1.00 0.00 H new ATOM 0 HG1 THR A 88 76.599 7.211 1.256 1.00 0.00 H new ATOM 0 HG21 THR A 88 73.390 6.283 2.618 1.00 0.00 H new ATOM 0 HG22 THR A 88 72.548 7.223 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 88 73.553 5.828 0.905 1.00 0.00 H new ATOM 1389 N GLY A 89 76.082 9.747 -1.174 1.00 0.00 N ATOM 1390 CA GLY A 89 76.924 10.973 -1.287 1.00 0.00 C ATOM 1391 C GLY A 89 78.015 10.774 -2.328 1.00 0.00 C ATOM 1392 O GLY A 89 78.696 11.699 -2.727 1.00 0.00 O ATOM 0 H GLY A 89 75.910 9.255 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 89 76.302 11.825 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 89 77.372 11.204 -0.321 1.00 0.00 H new ATOM 1396 N GLU A 90 78.175 9.577 -2.763 1.00 0.00 N ATOM 1397 CA GLU A 90 79.214 9.274 -3.787 1.00 0.00 C ATOM 1398 C GLU A 90 78.625 8.390 -4.888 1.00 0.00 C ATOM 1399 O GLU A 90 78.591 7.182 -4.775 1.00 0.00 O ATOM 1400 CB GLU A 90 80.314 8.528 -3.031 1.00 0.00 C ATOM 1401 CG GLU A 90 81.672 9.144 -3.368 1.00 0.00 C ATOM 1402 CD GLU A 90 81.803 9.292 -4.885 1.00 0.00 C ATOM 1403 OE1 GLU A 90 82.186 8.327 -5.525 1.00 0.00 O ATOM 1404 OE2 GLU A 90 81.518 10.371 -5.381 1.00 0.00 O ATOM 0 H GLU A 90 77.628 8.773 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 90 79.593 10.175 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 90 80.134 8.583 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.304 7.472 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 90 81.771 10.117 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 90 82.474 8.515 -2.983 1.00 0.00 H new ATOM 1411 N LYS A 91 78.160 8.983 -5.953 1.00 0.00 N ATOM 1412 CA LYS A 91 77.573 8.175 -7.059 1.00 0.00 C ATOM 1413 C LYS A 91 78.230 8.543 -8.390 1.00 0.00 C ATOM 1414 O LYS A 91 77.568 8.716 -9.394 1.00 0.00 O ATOM 1415 CB LYS A 91 76.090 8.544 -7.072 1.00 0.00 C ATOM 1416 CG LYS A 91 75.268 7.342 -7.539 1.00 0.00 C ATOM 1417 CD LYS A 91 73.780 7.620 -7.308 1.00 0.00 C ATOM 1418 CE LYS A 91 73.405 7.236 -5.875 1.00 0.00 C ATOM 1419 NZ LYS A 91 73.500 8.505 -5.100 1.00 0.00 N ATOM 0 H LYS A 91 78.161 9.992 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 91 77.726 7.105 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 91 75.772 8.850 -6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 91 75.922 9.393 -7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 91 75.453 7.150 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 91 75.571 6.447 -6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 91 73.565 8.674 -7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 91 73.179 7.051 -8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.399 6.819 -5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 91 74.082 6.480 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 74.241 8.415 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 73.738 9.287 -5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 72.588 8.700 -4.640 1.00 0.00 H new ATOM 1433 N GLY A 92 79.530 8.663 -8.407 1.00 0.00 N ATOM 1434 CA GLY A 92 80.231 9.018 -9.671 1.00 0.00 C ATOM 1435 C GLY A 92 79.561 10.239 -10.304 1.00 0.00 C ATOM 1436 O GLY A 92 78.600 10.771 -9.783 1.00 0.00 O ATOM 0 H GLY A 92 80.137 8.530 -7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 92 81.281 9.231 -9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 92 80.204 8.176 -10.363 1.00 0.00 H new ATOM 1440 N GLY A 93 80.058 10.687 -11.424 1.00 0.00 N ATOM 1441 CA GLY A 93 79.448 11.873 -12.088 1.00 0.00 C ATOM 1442 C GLY A 93 79.233 11.573 -13.572 1.00 0.00 C ATOM 1443 O GLY A 93 79.139 12.467 -14.389 1.00 0.00 O ATOM 0 H GLY A 93 80.860 10.283 -11.908 1.00 0.00 H new ATOM 0 HA2 GLY A 93 78.498 12.119 -11.615 1.00 0.00 H new ATOM 0 HA3 GLY A 93 80.096 12.741 -11.972 1.00 0.00 H new ATOM 1447 N THR A 94 79.155 10.320 -13.928 1.00 0.00 N ATOM 1448 CA THR A 94 78.948 9.964 -15.361 1.00 0.00 C ATOM 1449 C THR A 94 77.571 10.439 -15.832 1.00 0.00 C ATOM 1450 O THR A 94 76.686 9.649 -16.092 1.00 0.00 O ATOM 1451 CB THR A 94 79.032 8.437 -15.405 1.00 0.00 C ATOM 1452 OG1 THR A 94 80.358 8.029 -15.098 1.00 0.00 O ATOM 1453 CG2 THR A 94 78.654 7.943 -16.802 1.00 0.00 C ATOM 0 H THR A 94 79.226 9.528 -13.289 1.00 0.00 H new ATOM 0 HA THR A 94 79.685 10.433 -16.013 1.00 0.00 H new ATOM 0 HB THR A 94 78.343 8.013 -14.675 1.00 0.00 H new ATOM 0 HG1 THR A 94 80.414 7.051 -15.124 1.00 0.00 H new ATOM 0 HG21 THR A 94 78.714 6.855 -16.832 1.00 0.00 H new ATOM 0 HG22 THR A 94 77.637 8.257 -17.036 1.00 0.00 H new ATOM 0 HG23 THR A 94 79.341 8.365 -17.535 1.00 0.00 H new ATOM 1461 N ARG A 95 77.383 11.726 -15.944 1.00 0.00 N ATOM 1462 CA ARG A 95 76.064 12.250 -16.399 1.00 0.00 C ATOM 1463 C ARG A 95 74.938 11.656 -15.547 1.00 0.00 C ATOM 1464 O ARG A 95 74.234 10.759 -15.969 1.00 0.00 O ATOM 1465 CB ARG A 95 75.936 11.792 -17.852 1.00 0.00 C ATOM 1466 CG ARG A 95 77.156 12.266 -18.645 1.00 0.00 C ATOM 1467 CD ARG A 95 77.065 13.778 -18.868 1.00 0.00 C ATOM 1468 NE ARG A 95 78.167 14.092 -19.818 1.00 0.00 N ATOM 1469 CZ ARG A 95 77.913 14.742 -20.922 1.00 0.00 C ATOM 1470 NH1 ARG A 95 77.108 14.227 -21.810 1.00 0.00 N ATOM 1471 NH2 ARG A 95 78.464 15.905 -21.136 1.00 0.00 N ATOM 0 H ARG A 95 78.086 12.437 -15.740 1.00 0.00 H new ATOM 0 HA ARG A 95 75.995 13.334 -16.306 1.00 0.00 H new ATOM 0 HB2 ARG A 95 75.859 10.706 -17.897 1.00 0.00 H new ATOM 0 HB3 ARG A 95 75.024 12.194 -18.292 1.00 0.00 H new ATOM 0 HG2 ARG A 95 78.071 12.022 -18.105 1.00 0.00 H new ATOM 0 HG3 ARG A 95 77.203 11.749 -19.603 1.00 0.00 H new ATOM 0 HD2 ARG A 95 76.096 14.059 -19.280 1.00 0.00 H new ATOM 0 HD3 ARG A 95 77.183 14.323 -17.932 1.00 0.00 H new ATOM 0 HE ARG A 95 79.121 13.799 -19.607 1.00 0.00 H new ATOM 0 HH11 ARG A 95 76.678 13.318 -21.642 1.00 0.00 H new ATOM 0 HH12 ARG A 95 76.909 14.734 -22.673 1.00 0.00 H new ATOM 0 HH21 ARG A 95 79.093 16.307 -20.441 1.00 0.00 H new ATOM 0 HH22 ARG A 95 78.266 16.412 -21.998 1.00 0.00 H new ATOM 1485 N GLY A 96 74.765 12.148 -14.351 1.00 0.00 N ATOM 1486 CA GLY A 96 73.686 11.612 -13.473 1.00 0.00 C ATOM 1487 C GLY A 96 72.321 11.931 -14.083 1.00 0.00 C ATOM 1488 O GLY A 96 71.487 11.042 -14.118 1.00 0.00 O ATOM 1489 OXT GLY A 96 72.133 13.061 -14.506 1.00 0.00 O ATOM 0 H GLY A 96 75.324 12.898 -13.944 1.00 0.00 H new ATOM 0 HA2 GLY A 96 73.800 10.534 -13.356 1.00 0.00 H new ATOM 0 HA3 GLY A 96 73.762 12.050 -12.478 1.00 0.00 H new TER 1493 GLY A 96