USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 915 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 GLN : amide:sc= -0.407 X(o=0.42,f=0.27) USER MOD Set 1.2: A 100 SER OG : rot -77:sc= 0.824 USER MOD Set 2.1: A 12 MET CE :methyl -170:sc= -0.0232 (180deg=-0.0962) USER MOD Set 2.2: A 67 HIS : no HD1:sc= -0.225 X(o=-0.25,f=-0.64) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -130:sc= -0.948 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.904 K(o=-0.9,f=-1.4) USER MOD Single : A 32 SER OG : rot -39:sc= -0.866 USER MOD Single : A 37 GLN : amide:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= -0.2 (180deg=-0.234) USER MOD Single : A 66 ASN : amide:sc=-0.00443 X(o=-0.0044,f=-0.15) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 119:sc= 0.346 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.619 K(o=-0.62,f=-3.3!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 158:sc= -0.117 (180deg=-1.55) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.22 K(o=-0.22,f=-2.2!) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 88 THR OG1 : rot 39:sc= 0.996 USER MOD Single : A 90 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.9!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.7) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0519 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 1.706 -20.423 -2.633 1.00 0.00 N ATOM 2 CA LYS A 11 1.378 -19.057 -3.046 1.00 0.00 C ATOM 3 C LYS A 11 1.093 -18.164 -1.835 1.00 0.00 C ATOM 4 O LYS A 11 1.511 -17.008 -1.800 1.00 0.00 O ATOM 5 CB LYS A 11 0.178 -19.050 -4.006 1.00 0.00 C ATOM 6 CG LYS A 11 -1.037 -19.820 -3.502 1.00 0.00 C ATOM 7 CD LYS A 11 -1.438 -20.926 -4.468 1.00 0.00 C ATOM 8 CE LYS A 11 -2.066 -22.108 -3.741 1.00 0.00 C ATOM 9 NZ LYS A 11 -3.555 -22.089 -3.815 1.00 0.00 N ATOM 0 HA LYS A 11 2.245 -18.654 -3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.115 -18.017 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.490 -19.473 -4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.816 -20.251 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.873 -19.134 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.143 -20.532 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.561 -21.263 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.694 -23.037 -4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.756 -22.096 -2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.938 -22.911 -3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.913 -21.215 -3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.854 -22.127 -4.810 1.00 0.00 H new ATOM 23 N MET A 12 0.386 -18.714 -0.845 1.00 0.00 N ATOM 24 CA MET A 12 0.049 -17.972 0.372 1.00 0.00 C ATOM 25 C MET A 12 1.312 -17.552 1.127 1.00 0.00 C ATOM 26 O MET A 12 1.459 -16.387 1.502 1.00 0.00 O ATOM 27 CB MET A 12 -0.846 -18.823 1.282 1.00 0.00 C ATOM 28 CG MET A 12 -1.847 -18.012 2.094 1.00 0.00 C ATOM 29 SD MET A 12 -3.376 -18.914 2.411 1.00 0.00 S ATOM 30 CE MET A 12 -4.552 -17.566 2.516 1.00 0.00 C ATOM 0 H MET A 12 0.035 -19.672 -0.862 1.00 0.00 H new ATOM 0 HA MET A 12 -0.491 -17.072 0.079 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.388 -19.544 0.671 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.216 -19.393 1.965 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.394 -17.728 3.044 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.078 -17.089 1.562 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.506 -17.944 2.883 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.175 -16.807 3.201 1.00 0.00 H new ATOM 0 HE3 MET A 12 -4.691 -17.127 1.528 1.00 0.00 H new ATOM 40 N LYS A 13 2.220 -18.507 1.341 1.00 0.00 N ATOM 41 CA LYS A 13 3.475 -18.235 2.046 1.00 0.00 C ATOM 42 C LYS A 13 4.315 -17.206 1.289 1.00 0.00 C ATOM 43 O LYS A 13 4.969 -16.361 1.899 1.00 0.00 O ATOM 44 CB LYS A 13 4.275 -19.530 2.239 1.00 0.00 C ATOM 45 CG LYS A 13 5.346 -19.431 3.317 1.00 0.00 C ATOM 46 CD LYS A 13 4.816 -19.853 4.681 1.00 0.00 C ATOM 47 CE LYS A 13 5.871 -20.598 5.487 1.00 0.00 C ATOM 48 NZ LYS A 13 5.266 -21.530 6.484 1.00 0.00 N ATOM 0 H LYS A 13 2.110 -19.474 1.037 1.00 0.00 H new ATOM 0 HA LYS A 13 3.229 -17.824 3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.588 -20.337 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.747 -19.800 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.194 -20.060 3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.714 -18.406 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.490 -18.972 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.941 -20.489 4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.513 -21.161 4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.506 -19.878 6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.022 -22.015 7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.674 -20.991 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.681 -22.234 5.991 1.00 0.00 H new ATOM 62 N LYS A 14 4.282 -17.277 -0.042 1.00 0.00 N ATOM 63 CA LYS A 14 5.032 -16.346 -0.883 1.00 0.00 C ATOM 64 C LYS A 14 4.564 -14.905 -0.659 1.00 0.00 C ATOM 65 O LYS A 14 5.384 -13.989 -0.566 1.00 0.00 O ATOM 66 CB LYS A 14 4.886 -16.724 -2.361 1.00 0.00 C ATOM 67 CG LYS A 14 5.842 -15.979 -3.282 1.00 0.00 C ATOM 68 CD LYS A 14 7.186 -16.683 -3.387 1.00 0.00 C ATOM 69 CE LYS A 14 8.292 -15.716 -3.780 1.00 0.00 C ATOM 70 NZ LYS A 14 9.099 -15.277 -2.604 1.00 0.00 N ATOM 0 H LYS A 14 3.743 -17.971 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 14 6.084 -16.412 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.052 -17.796 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.862 -16.526 -2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.398 -15.892 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.990 -14.965 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.430 -17.148 -2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.122 -17.483 -4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.946 -16.192 -4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.854 -14.843 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.841 -14.619 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.481 -14.799 -1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.539 -16.106 -2.156 1.00 0.00 H new ATOM 84 N ILE A 15 3.245 -14.711 -0.574 1.00 0.00 N ATOM 85 CA ILE A 15 2.680 -13.378 -0.361 1.00 0.00 C ATOM 86 C ILE A 15 3.078 -12.822 1.006 1.00 0.00 C ATOM 87 O ILE A 15 3.552 -11.690 1.105 1.00 0.00 O ATOM 88 CB ILE A 15 1.135 -13.371 -0.470 1.00 0.00 C ATOM 89 CG1 ILE A 15 0.675 -13.998 -1.788 1.00 0.00 C ATOM 90 CG2 ILE A 15 0.599 -11.948 -0.349 1.00 0.00 C ATOM 91 CD1 ILE A 15 -0.672 -14.679 -1.693 1.00 0.00 C ATOM 0 H ILE A 15 2.553 -15.456 -0.649 1.00 0.00 H new ATOM 0 HA ILE A 15 3.088 -12.747 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 15 0.737 -13.969 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.629 -13.223 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.419 -14.725 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.488 -11.961 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.888 -11.531 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.013 -11.334 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.936 -15.101 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.625 -15.476 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.427 -13.951 -1.396 1.00 0.00 H new ATOM 103 N VAL A 16 2.884 -13.623 2.058 1.00 0.00 N ATOM 104 CA VAL A 16 3.226 -13.194 3.415 1.00 0.00 C ATOM 105 C VAL A 16 4.730 -12.958 3.564 1.00 0.00 C ATOM 106 O VAL A 16 5.148 -12.015 4.239 1.00 0.00 O ATOM 107 CB VAL A 16 2.751 -14.201 4.490 1.00 0.00 C ATOM 108 CG1 VAL A 16 1.233 -14.296 4.499 1.00 0.00 C ATOM 109 CG2 VAL A 16 3.376 -15.575 4.282 1.00 0.00 C ATOM 0 H VAL A 16 2.495 -14.564 1.996 1.00 0.00 H new ATOM 0 HA VAL A 16 2.699 -12.254 3.576 1.00 0.00 H new ATOM 0 HB VAL A 16 3.082 -13.832 5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.918 -15.009 5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.808 -13.317 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.884 -14.631 3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.021 -16.257 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.094 -15.958 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.461 -15.494 4.341 1.00 0.00 H new ATOM 119 N ASP A 17 5.538 -13.811 2.927 1.00 0.00 N ATOM 120 CA ASP A 17 6.994 -13.683 2.987 1.00 0.00 C ATOM 121 C ASP A 17 7.448 -12.353 2.390 1.00 0.00 C ATOM 122 O ASP A 17 8.308 -11.675 2.952 1.00 0.00 O ATOM 123 CB ASP A 17 7.675 -14.840 2.248 1.00 0.00 C ATOM 124 CG ASP A 17 8.145 -15.934 3.187 1.00 0.00 C ATOM 125 OD1 ASP A 17 9.023 -15.658 4.030 1.00 0.00 O ATOM 126 OD2 ASP A 17 7.636 -17.069 3.079 1.00 0.00 O ATOM 0 H ASP A 17 5.208 -14.596 2.365 1.00 0.00 H new ATOM 0 HA ASP A 17 7.285 -13.716 4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.980 -15.263 1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.527 -14.457 1.687 1.00 0.00 H new ATOM 131 N ALA A 18 6.861 -11.982 1.251 1.00 0.00 N ATOM 132 CA ALA A 18 7.205 -10.728 0.585 1.00 0.00 C ATOM 133 C ALA A 18 6.779 -9.522 1.424 1.00 0.00 C ATOM 134 O ALA A 18 7.503 -8.528 1.501 1.00 0.00 O ATOM 135 CB ALA A 18 6.570 -10.665 -0.798 1.00 0.00 C ATOM 0 H ALA A 18 6.147 -12.531 0.773 1.00 0.00 H new ATOM 0 HA ALA A 18 8.289 -10.695 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.837 -9.724 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.932 -11.497 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.486 -10.729 -0.704 1.00 0.00 H new ATOM 141 N VAL A 19 5.604 -9.616 2.056 1.00 0.00 N ATOM 142 CA VAL A 19 5.092 -8.528 2.890 1.00 0.00 C ATOM 143 C VAL A 19 5.958 -8.341 4.136 1.00 0.00 C ATOM 144 O VAL A 19 6.345 -7.219 4.465 1.00 0.00 O ATOM 145 CB VAL A 19 3.626 -8.763 3.322 1.00 0.00 C ATOM 146 CG1 VAL A 19 3.072 -7.529 4.020 1.00 0.00 C ATOM 147 CG2 VAL A 19 2.757 -9.131 2.126 1.00 0.00 C ATOM 0 H VAL A 19 4.993 -10.431 2.005 1.00 0.00 H new ATOM 0 HA VAL A 19 5.129 -7.626 2.278 1.00 0.00 H new ATOM 0 HB VAL A 19 3.610 -9.597 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.039 -7.712 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.671 -7.311 4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.108 -6.679 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.731 -9.291 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.781 -8.322 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.137 -10.044 1.668 1.00 0.00 H new ATOM 157 N ILE A 20 6.263 -9.445 4.824 1.00 0.00 N ATOM 158 CA ILE A 20 7.089 -9.393 6.029 1.00 0.00 C ATOM 159 C ILE A 20 8.510 -8.921 5.708 1.00 0.00 C ATOM 160 O ILE A 20 9.122 -8.198 6.497 1.00 0.00 O ATOM 161 CB ILE A 20 7.135 -10.761 6.755 1.00 0.00 C ATOM 162 CG1 ILE A 20 7.772 -10.611 8.140 1.00 0.00 C ATOM 163 CG2 ILE A 20 7.884 -11.801 5.930 1.00 0.00 C ATOM 164 CD1 ILE A 20 6.760 -10.481 9.259 1.00 0.00 C ATOM 0 H ILE A 20 5.951 -10.381 4.567 1.00 0.00 H new ATOM 0 HA ILE A 20 6.624 -8.670 6.699 1.00 0.00 H new ATOM 0 HB ILE A 20 6.110 -11.110 6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.408 -11.475 8.334 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.418 -9.733 8.141 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.899 -12.750 6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.383 -11.934 4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.907 -11.464 5.761 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.281 -10.378 10.211 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.140 -9.601 9.088 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.130 -11.370 9.285 1.00 0.00 H new ATOM 176 N LYS A 21 9.027 -9.321 4.542 1.00 0.00 N ATOM 177 CA LYS A 21 10.371 -8.921 4.121 1.00 0.00 C ATOM 178 C LYS A 21 10.419 -7.430 3.763 1.00 0.00 C ATOM 179 O LYS A 21 11.479 -6.807 3.829 1.00 0.00 O ATOM 180 CB LYS A 21 10.840 -9.762 2.926 1.00 0.00 C ATOM 181 CG LYS A 21 11.845 -10.844 3.296 1.00 0.00 C ATOM 182 CD LYS A 21 13.169 -10.249 3.757 1.00 0.00 C ATOM 183 CE LYS A 21 13.775 -11.050 4.901 1.00 0.00 C ATOM 184 NZ LYS A 21 15.196 -10.675 5.159 1.00 0.00 N ATOM 0 H LYS A 21 8.537 -9.919 3.876 1.00 0.00 H new ATOM 0 HA LYS A 21 11.044 -9.096 4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.973 -10.229 2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.287 -9.103 2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.432 -11.469 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.017 -11.491 2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.867 -10.222 2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.014 -9.218 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.188 -10.890 5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.718 -12.113 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.568 -11.245 5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.762 -10.852 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.249 -9.666 5.407 1.00 0.00 H new ATOM 198 N TYR A 22 9.265 -6.863 3.389 1.00 0.00 N ATOM 199 CA TYR A 22 9.179 -5.447 3.027 1.00 0.00 C ATOM 200 C TYR A 22 8.846 -4.570 4.246 1.00 0.00 C ATOM 201 O TYR A 22 8.173 -3.544 4.118 1.00 0.00 O ATOM 202 CB TYR A 22 8.124 -5.254 1.930 1.00 0.00 C ATOM 203 CG TYR A 22 8.433 -4.141 0.945 1.00 0.00 C ATOM 204 CD1 TYR A 22 9.167 -3.019 1.322 1.00 0.00 C ATOM 205 CD2 TYR A 22 7.981 -4.214 -0.368 1.00 0.00 C ATOM 206 CE1 TYR A 22 9.435 -2.007 0.421 1.00 0.00 C ATOM 207 CE2 TYR A 22 8.248 -3.206 -1.274 1.00 0.00 C ATOM 208 CZ TYR A 22 8.975 -2.107 -0.876 1.00 0.00 C ATOM 209 OH TYR A 22 9.239 -1.100 -1.777 1.00 0.00 O ATOM 0 H TYR A 22 8.379 -7.365 3.330 1.00 0.00 H new ATOM 0 HA TYR A 22 10.154 -5.134 2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.016 -6.189 1.380 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.163 -5.048 2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.532 -2.939 2.335 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.411 -5.075 -0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.002 -1.141 0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.888 -3.280 -2.290 1.00 0.00 H new ATOM 0 HH TYR A 22 8.408 -0.835 -2.225 1.00 0.00 H new ATOM 219 N LYS A 23 9.335 -4.964 5.425 1.00 0.00 N ATOM 220 CA LYS A 23 9.102 -4.199 6.647 1.00 0.00 C ATOM 221 C LYS A 23 10.286 -3.273 6.912 1.00 0.00 C ATOM 222 O LYS A 23 11.403 -3.738 7.147 1.00 0.00 O ATOM 223 CB LYS A 23 8.893 -5.138 7.840 1.00 0.00 C ATOM 224 CG LYS A 23 7.539 -4.978 8.515 1.00 0.00 C ATOM 225 CD LYS A 23 7.358 -5.984 9.644 1.00 0.00 C ATOM 226 CE LYS A 23 6.647 -5.367 10.841 1.00 0.00 C ATOM 227 NZ LYS A 23 7.336 -5.685 12.125 1.00 0.00 N ATOM 0 H LYS A 23 9.894 -5.807 5.556 1.00 0.00 H new ATOM 0 HA LYS A 23 8.200 -3.601 6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.001 -6.169 7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.678 -4.959 8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.445 -3.966 8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.746 -5.109 7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.786 -6.838 9.282 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.332 -6.361 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.597 -4.286 10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.621 -5.732 10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.820 -5.246 12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.362 -6.716 12.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.308 -5.315 12.099 1.00 0.00 H new ATOM 241 N ASP A 24 10.040 -1.962 6.860 1.00 0.00 N ATOM 242 CA ASP A 24 11.100 -0.981 7.084 1.00 0.00 C ATOM 243 C ASP A 24 11.566 -1.005 8.539 1.00 0.00 C ATOM 244 O ASP A 24 10.795 -0.707 9.453 1.00 0.00 O ATOM 245 CB ASP A 24 10.613 0.423 6.718 1.00 0.00 C ATOM 246 CG ASP A 24 11.741 1.326 6.260 1.00 0.00 C ATOM 247 OD1 ASP A 24 12.334 1.043 5.197 1.00 0.00 O ATOM 248 OD2 ASP A 24 12.029 2.318 6.962 1.00 0.00 O ATOM 0 H ASP A 24 9.123 -1.559 6.666 1.00 0.00 H new ATOM 0 HA ASP A 24 11.943 -1.244 6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.866 0.351 5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.121 0.870 7.582 1.00 0.00 H new ATOM 253 N SER A 25 12.839 -1.359 8.737 1.00 0.00 N ATOM 254 CA SER A 25 13.435 -1.433 10.074 1.00 0.00 C ATOM 255 C SER A 25 12.666 -2.403 10.979 1.00 0.00 C ATOM 256 O SER A 25 11.688 -3.023 10.558 1.00 0.00 O ATOM 257 CB SER A 25 13.489 -0.041 10.723 1.00 0.00 C ATOM 258 OG SER A 25 13.789 0.965 9.771 1.00 0.00 O ATOM 0 H SER A 25 13.481 -1.601 7.982 1.00 0.00 H new ATOM 0 HA SER A 25 14.451 -1.810 9.957 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.532 0.178 11.196 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.243 -0.035 11.510 1.00 0.00 H new ATOM 0 HG SER A 25 13.814 1.838 10.215 1.00 0.00 H new ATOM 264 N SER A 26 13.114 -2.522 12.231 1.00 0.00 N ATOM 265 CA SER A 26 12.464 -3.402 13.201 1.00 0.00 C ATOM 266 C SER A 26 11.260 -2.712 13.853 1.00 0.00 C ATOM 267 O SER A 26 10.391 -3.375 14.421 1.00 0.00 O ATOM 268 CB SER A 26 13.463 -3.844 14.278 1.00 0.00 C ATOM 269 OG SER A 26 13.005 -5.001 14.959 1.00 0.00 O ATOM 0 H SER A 26 13.924 -2.020 12.595 1.00 0.00 H new ATOM 0 HA SER A 26 12.106 -4.282 12.667 1.00 0.00 H new ATOM 0 HB2 SER A 26 14.430 -4.048 13.819 1.00 0.00 H new ATOM 0 HB3 SER A 26 13.614 -3.034 14.992 1.00 0.00 H new ATOM 0 HG SER A 26 13.661 -5.262 15.639 1.00 0.00 H new ATOM 275 N SER A 27 11.214 -1.376 13.768 1.00 0.00 N ATOM 276 CA SER A 27 10.117 -0.602 14.349 1.00 0.00 C ATOM 277 C SER A 27 8.926 -0.487 13.385 1.00 0.00 C ATOM 278 O SER A 27 7.805 -0.204 13.814 1.00 0.00 O ATOM 279 CB SER A 27 10.610 0.796 14.733 1.00 0.00 C ATOM 280 OG SER A 27 9.694 1.447 15.598 1.00 0.00 O ATOM 0 H SER A 27 11.925 -0.812 13.302 1.00 0.00 H new ATOM 0 HA SER A 27 9.776 -1.130 15.239 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.582 0.720 15.220 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.751 1.394 13.833 1.00 0.00 H new ATOM 0 HG SER A 27 10.036 2.336 15.827 1.00 0.00 H new ATOM 286 N GLY A 28 9.168 -0.707 12.088 1.00 0.00 N ATOM 287 CA GLY A 28 8.098 -0.621 11.103 1.00 0.00 C ATOM 288 C GLY A 28 7.524 0.780 10.974 1.00 0.00 C ATOM 289 O GLY A 28 6.304 0.958 10.986 1.00 0.00 O ATOM 0 H GLY A 28 10.084 -0.942 11.705 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.477 -0.944 10.133 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.301 -1.311 11.379 1.00 0.00 H new ATOM 293 N ARG A 29 8.406 1.774 10.849 1.00 0.00 N ATOM 294 CA ARG A 29 7.984 3.170 10.716 1.00 0.00 C ATOM 295 C ARG A 29 8.802 3.883 9.642 1.00 0.00 C ATOM 296 O ARG A 29 10.023 3.727 9.577 1.00 0.00 O ATOM 297 CB ARG A 29 8.122 3.906 12.053 1.00 0.00 C ATOM 298 CG ARG A 29 7.243 3.341 13.160 1.00 0.00 C ATOM 299 CD ARG A 29 6.126 4.304 13.539 1.00 0.00 C ATOM 300 NE ARG A 29 4.825 3.637 13.603 1.00 0.00 N ATOM 301 CZ ARG A 29 4.061 3.377 12.537 1.00 0.00 C ATOM 302 NH1 ARG A 29 4.462 3.726 11.316 1.00 0.00 N ATOM 303 NH2 ARG A 29 2.893 2.762 12.693 1.00 0.00 N ATOM 0 H ARG A 29 9.417 1.638 10.837 1.00 0.00 H new ATOM 0 HA ARG A 29 6.936 3.177 10.418 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.163 3.866 12.373 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.874 4.957 11.906 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.812 2.394 12.835 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.854 3.129 14.037 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.349 4.756 14.505 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.083 5.114 12.811 1.00 0.00 H new ATOM 0 HE ARG A 29 4.479 3.352 14.519 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.358 4.196 11.188 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.873 3.524 10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.581 2.489 13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.309 2.563 11.881 1.00 0.00 H new ATOM 317 N GLN A 30 8.120 4.658 8.797 1.00 0.00 N ATOM 318 CA GLN A 30 8.778 5.391 7.714 1.00 0.00 C ATOM 319 C GLN A 30 7.812 6.367 7.040 1.00 0.00 C ATOM 320 O GLN A 30 6.652 6.471 7.433 1.00 0.00 O ATOM 321 CB GLN A 30 9.325 4.410 6.673 1.00 0.00 C ATOM 322 CG GLN A 30 8.263 3.496 6.074 1.00 0.00 C ATOM 323 CD GLN A 30 8.793 2.652 4.928 1.00 0.00 C ATOM 324 OE1 GLN A 30 9.766 3.018 4.272 1.00 0.00 O ATOM 325 NE2 GLN A 30 8.149 1.516 4.677 1.00 0.00 N ATOM 0 H GLN A 30 7.110 4.794 8.842 1.00 0.00 H new ATOM 0 HA GLN A 30 9.600 5.962 8.146 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.801 4.974 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.099 3.798 7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.873 2.840 6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.428 4.100 5.719 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.345 1.249 5.246 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.459 0.912 3.916 1.00 0.00 H new ATOM 334 N LEU A 31 8.293 7.070 6.009 1.00 0.00 N ATOM 335 CA LEU A 31 7.461 8.029 5.271 1.00 0.00 C ATOM 336 C LEU A 31 6.172 7.372 4.769 1.00 0.00 C ATOM 337 O LEU A 31 5.117 8.007 4.735 1.00 0.00 O ATOM 338 CB LEU A 31 8.235 8.634 4.090 1.00 0.00 C ATOM 339 CG LEU A 31 8.811 7.633 3.080 1.00 0.00 C ATOM 340 CD1 LEU A 31 8.676 8.176 1.665 1.00 0.00 C ATOM 341 CD2 LEU A 31 10.269 7.328 3.401 1.00 0.00 C ATOM 0 H LEU A 31 9.251 6.994 5.667 1.00 0.00 H new ATOM 0 HA LEU A 31 7.195 8.829 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.572 9.316 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.055 9.232 4.487 1.00 0.00 H new ATOM 0 HG LEU A 31 8.245 6.704 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.089 7.456 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.623 8.344 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.220 9.117 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.660 6.616 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.851 8.248 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.340 6.901 4.401 1.00 0.00 H new ATOM 353 N SER A 32 6.267 6.095 4.383 1.00 0.00 N ATOM 354 CA SER A 32 5.113 5.340 3.883 1.00 0.00 C ATOM 355 C SER A 32 4.036 5.124 4.960 1.00 0.00 C ATOM 356 O SER A 32 2.950 4.629 4.652 1.00 0.00 O ATOM 357 CB SER A 32 5.568 3.982 3.333 1.00 0.00 C ATOM 358 OG SER A 32 4.592 3.420 2.468 1.00 0.00 O ATOM 0 H SER A 32 7.135 5.561 4.408 1.00 0.00 H new ATOM 0 HA SER A 32 4.666 5.936 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.508 4.102 2.794 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.760 3.299 4.160 1.00 0.00 H new ATOM 0 HG SER A 32 3.697 3.588 2.831 1.00 0.00 H new ATOM 364 N GLU A 33 4.328 5.494 6.218 1.00 0.00 N ATOM 365 CA GLU A 33 3.361 5.330 7.311 1.00 0.00 C ATOM 366 C GLU A 33 2.050 6.061 7.004 1.00 0.00 C ATOM 367 O GLU A 33 0.984 5.662 7.479 1.00 0.00 O ATOM 368 CB GLU A 33 3.949 5.823 8.644 1.00 0.00 C ATOM 369 CG GLU A 33 4.186 7.329 8.713 1.00 0.00 C ATOM 370 CD GLU A 33 4.954 7.746 9.957 1.00 0.00 C ATOM 371 OE1 GLU A 33 6.095 7.271 10.141 1.00 0.00 O ATOM 372 OE2 GLU A 33 4.412 8.544 10.747 1.00 0.00 O ATOM 0 H GLU A 33 5.218 5.905 6.500 1.00 0.00 H new ATOM 0 HA GLU A 33 3.144 4.266 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.275 5.537 9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.895 5.311 8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.737 7.647 7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.226 7.845 8.694 1.00 0.00 H new ATOM 379 N VAL A 34 2.134 7.119 6.194 1.00 0.00 N ATOM 380 CA VAL A 34 0.954 7.894 5.807 1.00 0.00 C ATOM 381 C VAL A 34 -0.044 7.027 5.028 1.00 0.00 C ATOM 382 O VAL A 34 -1.252 7.256 5.091 1.00 0.00 O ATOM 383 CB VAL A 34 1.339 9.124 4.951 1.00 0.00 C ATOM 384 CG1 VAL A 34 0.122 10.006 4.704 1.00 0.00 C ATOM 385 CG2 VAL A 34 2.456 9.921 5.616 1.00 0.00 C ATOM 0 H VAL A 34 3.008 7.459 5.793 1.00 0.00 H new ATOM 0 HA VAL A 34 0.486 8.240 6.728 1.00 0.00 H new ATOM 0 HB VAL A 34 1.706 8.767 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.412 10.866 4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.641 9.434 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.277 10.351 5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.709 10.781 4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.124 10.266 6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.335 9.287 5.734 1.00 0.00 H new ATOM 395 N PHE A 35 0.470 6.032 4.299 1.00 0.00 N ATOM 396 CA PHE A 35 -0.374 5.130 3.512 1.00 0.00 C ATOM 397 C PHE A 35 -0.745 3.865 4.299 1.00 0.00 C ATOM 398 O PHE A 35 -1.661 3.137 3.910 1.00 0.00 O ATOM 399 CB PHE A 35 0.333 4.741 2.211 1.00 0.00 C ATOM 400 CG PHE A 35 0.886 5.914 1.453 1.00 0.00 C ATOM 401 CD1 PHE A 35 0.037 6.853 0.888 1.00 0.00 C ATOM 402 CD2 PHE A 35 2.255 6.081 1.307 1.00 0.00 C ATOM 403 CE1 PHE A 35 0.541 7.935 0.195 1.00 0.00 C ATOM 404 CE2 PHE A 35 2.764 7.161 0.613 1.00 0.00 C ATOM 405 CZ PHE A 35 1.907 8.090 0.056 1.00 0.00 C ATOM 0 H PHE A 35 1.468 5.831 4.238 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.295 5.665 3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.146 4.052 2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.369 4.205 1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.032 6.736 0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.930 5.359 1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.132 8.660 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.832 7.279 0.506 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.304 8.935 -0.487 1.00 0.00 H new ATOM 415 N ILE A 36 -0.038 3.605 5.404 1.00 0.00 N ATOM 416 CA ILE A 36 -0.316 2.429 6.229 1.00 0.00 C ATOM 417 C ILE A 36 -1.652 2.575 6.964 1.00 0.00 C ATOM 418 O ILE A 36 -2.339 1.585 7.211 1.00 0.00 O ATOM 419 CB ILE A 36 0.809 2.168 7.262 1.00 0.00 C ATOM 420 CG1 ILE A 36 2.169 2.072 6.562 1.00 0.00 C ATOM 421 CG2 ILE A 36 0.526 0.892 8.049 1.00 0.00 C ATOM 422 CD1 ILE A 36 3.323 1.803 7.504 1.00 0.00 C ATOM 0 H ILE A 36 0.725 4.190 5.744 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.367 1.578 5.550 1.00 0.00 H new ATOM 0 HB ILE A 36 0.837 3.006 7.959 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.128 1.278 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.358 3.003 6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.326 0.724 8.770 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.422 0.993 8.577 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.472 0.046 7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.251 1.748 6.936 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.392 2.609 8.235 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.158 0.858 8.021 1.00 0.00 H new ATOM 434 N GLN A 37 -2.012 3.816 7.308 1.00 0.00 N ATOM 435 CA GLN A 37 -3.266 4.093 8.010 1.00 0.00 C ATOM 436 C GLN A 37 -4.113 5.105 7.231 1.00 0.00 C ATOM 437 O GLN A 37 -3.581 5.921 6.477 1.00 0.00 O ATOM 438 CB GLN A 37 -2.978 4.630 9.415 1.00 0.00 C ATOM 439 CG GLN A 37 -2.139 3.693 10.271 1.00 0.00 C ATOM 440 CD GLN A 37 -2.251 3.996 11.754 1.00 0.00 C ATOM 441 OE1 GLN A 37 -1.266 4.349 12.403 1.00 0.00 O ATOM 442 NE2 GLN A 37 -3.456 3.860 12.300 1.00 0.00 N ATOM 0 H GLN A 37 -1.451 4.644 7.111 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.825 3.160 8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.464 5.587 9.329 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.924 4.821 9.922 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.451 2.665 10.090 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.095 3.767 9.967 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.246 3.565 11.726 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.590 4.051 13.293 1.00 0.00 H new ATOM 451 N LEU A 38 -5.433 5.042 7.419 1.00 0.00 N ATOM 452 CA LEU A 38 -6.355 5.950 6.734 1.00 0.00 C ATOM 453 C LEU A 38 -6.869 7.035 7.679 1.00 0.00 C ATOM 454 O LEU A 38 -7.222 6.754 8.825 1.00 0.00 O ATOM 455 CB LEU A 38 -7.542 5.173 6.153 1.00 0.00 C ATOM 456 CG LEU A 38 -7.679 5.233 4.628 1.00 0.00 C ATOM 457 CD1 LEU A 38 -6.507 4.538 3.950 1.00 0.00 C ATOM 458 CD2 LEU A 38 -8.995 4.608 4.189 1.00 0.00 C ATOM 0 H LEU A 38 -5.887 4.372 8.040 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.804 6.427 5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.454 4.129 6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.460 5.556 6.599 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.673 6.280 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.627 4.594 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.577 5.029 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.476 3.493 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.077 4.658 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.027 3.566 4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.825 5.151 4.641 1.00 0.00 H new ATOM 470 N PRO A 39 -6.928 8.294 7.200 1.00 0.00 N ATOM 471 CA PRO A 39 -7.415 9.423 7.998 1.00 0.00 C ATOM 472 C PRO A 39 -8.943 9.457 8.082 1.00 0.00 C ATOM 473 O PRO A 39 -9.617 8.521 7.645 1.00 0.00 O ATOM 474 CB PRO A 39 -6.886 10.633 7.227 1.00 0.00 C ATOM 475 CG PRO A 39 -6.856 10.184 5.807 1.00 0.00 C ATOM 476 CD PRO A 39 -6.534 8.712 5.838 1.00 0.00 C ATOM 0 HA PRO A 39 -7.081 9.378 9.035 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.534 11.500 7.356 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.894 10.922 7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.816 10.362 5.322 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.105 10.735 5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.088 8.165 5.075 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.475 8.530 5.654 1.00 0.00 H new ATOM 484 N SER A 40 -9.487 10.538 8.641 1.00 0.00 N ATOM 485 CA SER A 40 -10.936 10.684 8.773 1.00 0.00 C ATOM 486 C SER A 40 -11.551 11.237 7.489 1.00 0.00 C ATOM 487 O SER A 40 -11.000 12.152 6.872 1.00 0.00 O ATOM 488 CB SER A 40 -11.279 11.602 9.950 1.00 0.00 C ATOM 489 OG SER A 40 -12.470 11.182 10.592 1.00 0.00 O ATOM 0 H SER A 40 -8.948 11.322 9.008 1.00 0.00 H new ATOM 0 HA SER A 40 -11.354 9.695 8.960 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.457 11.604 10.666 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.395 12.626 9.595 1.00 0.00 H new ATOM 0 HG SER A 40 -12.667 11.782 11.341 1.00 0.00 H new ATOM 495 N ARG A 41 -12.701 10.683 7.097 1.00 0.00 N ATOM 496 CA ARG A 41 -13.400 11.129 5.890 1.00 0.00 C ATOM 497 C ARG A 41 -13.783 12.607 6.000 1.00 0.00 C ATOM 498 O ARG A 41 -13.759 13.334 5.007 1.00 0.00 O ATOM 499 CB ARG A 41 -14.650 10.278 5.644 1.00 0.00 C ATOM 500 CG ARG A 41 -15.413 10.653 4.380 1.00 0.00 C ATOM 501 CD ARG A 41 -16.841 11.075 4.692 1.00 0.00 C ATOM 502 NE ARG A 41 -17.379 11.993 3.686 1.00 0.00 N ATOM 503 CZ ARG A 41 -17.838 11.612 2.489 1.00 0.00 C ATOM 504 NH1 ARG A 41 -17.815 10.329 2.129 1.00 0.00 N ATOM 505 NH2 ARG A 41 -18.322 12.520 1.646 1.00 0.00 N ATOM 0 H ARG A 41 -13.167 9.926 7.597 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.723 11.008 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.358 9.230 5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.317 10.373 6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.896 11.466 3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.425 9.804 3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.475 10.190 4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.871 11.553 5.671 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.405 12.987 3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.445 9.626 2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.168 10.050 1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.342 13.504 1.913 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.673 12.232 0.732 1.00 0.00 H new ATOM 519 N LYS A 42 -14.126 13.046 7.214 1.00 0.00 N ATOM 520 CA LYS A 42 -14.498 14.442 7.450 1.00 0.00 C ATOM 521 C LYS A 42 -13.305 15.373 7.211 1.00 0.00 C ATOM 522 O LYS A 42 -13.479 16.517 6.785 1.00 0.00 O ATOM 523 CB LYS A 42 -15.026 14.623 8.879 1.00 0.00 C ATOM 524 CG LYS A 42 -16.527 14.860 8.950 1.00 0.00 C ATOM 525 CD LYS A 42 -16.854 16.330 9.173 1.00 0.00 C ATOM 526 CE LYS A 42 -17.394 16.579 10.575 1.00 0.00 C ATOM 527 NZ LYS A 42 -16.305 16.696 11.588 1.00 0.00 N ATOM 0 H LYS A 42 -14.154 12.456 8.046 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.288 14.703 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.779 13.737 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.512 15.464 9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.994 14.519 8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.952 14.266 9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.958 16.930 9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.589 16.655 8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.988 17.493 10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.062 15.764 10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.720 16.865 12.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.753 15.815 11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.682 17.490 11.337 1.00 0.00 H new ATOM 541 N GLU A 43 -12.095 14.873 7.482 1.00 0.00 N ATOM 542 CA GLU A 43 -10.873 15.654 7.289 1.00 0.00 C ATOM 543 C GLU A 43 -10.601 15.890 5.803 1.00 0.00 C ATOM 544 O GLU A 43 -10.292 17.009 5.393 1.00 0.00 O ATOM 545 CB GLU A 43 -9.674 14.943 7.926 1.00 0.00 C ATOM 546 CG GLU A 43 -8.989 15.757 9.015 1.00 0.00 C ATOM 547 CD GLU A 43 -9.492 15.419 10.406 1.00 0.00 C ATOM 548 OE1 GLU A 43 -9.451 14.227 10.783 1.00 0.00 O ATOM 549 OE2 GLU A 43 -9.925 16.346 11.121 1.00 0.00 O ATOM 0 H GLU A 43 -11.938 13.929 7.836 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.016 16.619 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.007 13.995 8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.947 14.708 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.914 15.583 8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.149 16.818 8.824 1.00 0.00 H new ATOM 556 N LEU A 44 -10.713 14.829 5.002 1.00 0.00 N ATOM 557 CA LEU A 44 -10.476 14.924 3.563 1.00 0.00 C ATOM 558 C LEU A 44 -11.555 14.182 2.768 1.00 0.00 C ATOM 559 O LEU A 44 -11.292 13.143 2.159 1.00 0.00 O ATOM 560 CB LEU A 44 -9.082 14.379 3.208 1.00 0.00 C ATOM 561 CG LEU A 44 -8.660 13.102 3.948 1.00 0.00 C ATOM 562 CD1 LEU A 44 -8.763 11.890 3.033 1.00 0.00 C ATOM 563 CD2 LEU A 44 -7.244 13.247 4.490 1.00 0.00 C ATOM 0 H LEU A 44 -10.966 13.896 5.326 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.522 15.978 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.050 14.183 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.345 15.156 3.412 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.338 12.951 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.459 10.996 3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.793 11.776 2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.111 12.029 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.959 12.334 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.555 13.423 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.204 14.088 5.182 1.00 0.00 H new ATOM 575 N PRO A 45 -12.796 14.715 2.758 1.00 0.00 N ATOM 576 CA PRO A 45 -13.915 14.103 2.027 1.00 0.00 C ATOM 577 C PRO A 45 -13.674 14.055 0.514 1.00 0.00 C ATOM 578 O PRO A 45 -14.262 13.228 -0.185 1.00 0.00 O ATOM 579 CB PRO A 45 -15.108 15.009 2.354 1.00 0.00 C ATOM 580 CG PRO A 45 -14.508 16.301 2.794 1.00 0.00 C ATOM 581 CD PRO A 45 -13.200 15.953 3.447 1.00 0.00 C ATOM 0 HA PRO A 45 -14.064 13.064 2.321 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.747 15.148 1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.728 14.575 3.138 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.355 16.968 1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.166 16.819 3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.462 16.745 3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -13.315 15.797 4.520 1.00 0.00 H new ATOM 589 N GLU A 46 -12.804 14.943 0.018 1.00 0.00 N ATOM 590 CA GLU A 46 -12.486 15.000 -1.410 1.00 0.00 C ATOM 591 C GLU A 46 -11.843 13.697 -1.887 1.00 0.00 C ATOM 592 O GLU A 46 -12.148 13.215 -2.978 1.00 0.00 O ATOM 593 CB GLU A 46 -11.553 16.177 -1.707 1.00 0.00 C ATOM 594 CG GLU A 46 -12.248 17.528 -1.690 1.00 0.00 C ATOM 595 CD GLU A 46 -11.276 18.680 -1.522 1.00 0.00 C ATOM 596 OE1 GLU A 46 -10.759 19.174 -2.546 1.00 0.00 O ATOM 597 OE2 GLU A 46 -11.032 19.086 -0.367 1.00 0.00 O ATOM 0 H GLU A 46 -12.309 15.631 0.586 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.422 15.141 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.747 16.184 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.094 16.027 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.804 17.659 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.975 17.549 -0.878 1.00 0.00 H new ATOM 604 N TYR A 47 -10.959 13.126 -1.065 1.00 0.00 N ATOM 605 CA TYR A 47 -10.290 11.871 -1.411 1.00 0.00 C ATOM 606 C TYR A 47 -11.315 10.762 -1.646 1.00 0.00 C ATOM 607 O TYR A 47 -11.229 10.026 -2.630 1.00 0.00 O ATOM 608 CB TYR A 47 -9.316 11.458 -0.303 1.00 0.00 C ATOM 609 CG TYR A 47 -8.257 10.471 -0.752 1.00 0.00 C ATOM 610 CD1 TYR A 47 -8.600 9.184 -1.154 1.00 0.00 C ATOM 611 CD2 TYR A 47 -6.913 10.826 -0.770 1.00 0.00 C ATOM 612 CE1 TYR A 47 -7.635 8.283 -1.563 1.00 0.00 C ATOM 613 CE2 TYR A 47 -5.943 9.929 -1.178 1.00 0.00 C ATOM 614 CZ TYR A 47 -6.310 8.660 -1.571 1.00 0.00 C ATOM 615 OH TYR A 47 -5.346 7.764 -1.978 1.00 0.00 O ATOM 0 H TYR A 47 -10.691 13.511 -0.159 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.728 12.028 -2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.825 12.350 0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.881 11.020 0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.637 8.884 -1.146 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.622 11.819 -0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.918 7.289 -1.875 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.903 10.221 -1.189 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.463 8.187 -1.926 1.00 0.00 H new ATOM 625 N TYR A 48 -12.289 10.657 -0.738 1.00 0.00 N ATOM 626 CA TYR A 48 -13.340 9.644 -0.847 1.00 0.00 C ATOM 627 C TYR A 48 -14.174 9.844 -2.117 1.00 0.00 C ATOM 628 O TYR A 48 -14.653 8.875 -2.708 1.00 0.00 O ATOM 629 CB TYR A 48 -14.249 9.676 0.386 1.00 0.00 C ATOM 630 CG TYR A 48 -14.208 8.403 1.203 1.00 0.00 C ATOM 631 CD1 TYR A 48 -15.042 7.334 0.897 1.00 0.00 C ATOM 632 CD2 TYR A 48 -13.338 8.270 2.277 1.00 0.00 C ATOM 633 CE1 TYR A 48 -15.008 6.169 1.639 1.00 0.00 C ATOM 634 CE2 TYR A 48 -13.298 7.107 3.023 1.00 0.00 C ATOM 635 CZ TYR A 48 -14.136 6.061 2.700 1.00 0.00 C ATOM 636 OH TYR A 48 -14.100 4.902 3.440 1.00 0.00 O ATOM 0 H TYR A 48 -12.371 11.261 0.080 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.855 8.669 -0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -13.958 10.514 1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.275 9.859 0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -15.727 7.415 0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.682 9.089 2.534 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.662 5.347 1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.614 7.018 3.854 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.431 4.988 4.151 1.00 0.00 H new ATOM 646 N GLU A 49 -14.342 11.104 -2.529 1.00 0.00 N ATOM 647 CA GLU A 49 -15.115 11.426 -3.730 1.00 0.00 C ATOM 648 C GLU A 49 -14.298 11.160 -4.994 1.00 0.00 C ATOM 649 O GLU A 49 -14.775 10.508 -5.924 1.00 0.00 O ATOM 650 CB GLU A 49 -15.568 12.890 -3.699 1.00 0.00 C ATOM 651 CG GLU A 49 -16.476 13.220 -2.522 1.00 0.00 C ATOM 652 CD GLU A 49 -16.645 14.713 -2.295 1.00 0.00 C ATOM 653 OE1 GLU A 49 -16.870 15.447 -3.281 1.00 0.00 O ATOM 654 OE2 GLU A 49 -16.559 15.144 -1.125 1.00 0.00 O ATOM 0 H GLU A 49 -13.953 11.916 -2.049 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.995 10.782 -3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.689 13.533 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.091 13.120 -4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.455 12.772 -2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.068 12.766 -1.619 1.00 0.00 H new ATOM 661 N LEU A 50 -13.063 11.668 -5.018 1.00 0.00 N ATOM 662 CA LEU A 50 -12.172 11.485 -6.166 1.00 0.00 C ATOM 663 C LEU A 50 -11.903 10.000 -6.422 1.00 0.00 C ATOM 664 O LEU A 50 -11.910 9.549 -7.568 1.00 0.00 O ATOM 665 CB LEU A 50 -10.848 12.228 -5.942 1.00 0.00 C ATOM 666 CG LEU A 50 -9.845 12.146 -7.099 1.00 0.00 C ATOM 667 CD1 LEU A 50 -9.919 13.397 -7.965 1.00 0.00 C ATOM 668 CD2 LEU A 50 -8.431 11.943 -6.569 1.00 0.00 C ATOM 0 H LEU A 50 -12.657 12.210 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.667 11.901 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.068 13.278 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.375 11.830 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.106 11.287 -7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.199 13.318 -8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.924 13.496 -8.376 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.687 14.273 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.734 11.887 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.160 12.780 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.386 11.016 -5.997 1.00 0.00 H new ATOM 680 N ILE A 51 -11.668 9.251 -5.346 1.00 0.00 N ATOM 681 CA ILE A 51 -11.399 7.818 -5.444 1.00 0.00 C ATOM 682 C ILE A 51 -12.320 7.030 -4.512 1.00 0.00 C ATOM 683 O ILE A 51 -12.260 7.186 -3.290 1.00 0.00 O ATOM 684 CB ILE A 51 -9.926 7.492 -5.096 1.00 0.00 C ATOM 685 CG1 ILE A 51 -8.972 8.397 -5.884 1.00 0.00 C ATOM 686 CG2 ILE A 51 -9.619 6.025 -5.376 1.00 0.00 C ATOM 687 CD1 ILE A 51 -7.609 8.548 -5.243 1.00 0.00 C ATOM 0 H ILE A 51 -11.659 9.615 -4.393 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.588 7.526 -6.477 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.779 7.678 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.849 7.993 -6.889 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.425 9.383 -5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.579 5.817 -5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.272 5.395 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.787 5.813 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.989 9.202 -5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.720 8.981 -4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.135 7.570 -5.161 1.00 0.00 H new ATOM 699 N ARG A 52 -13.170 6.178 -5.092 1.00 0.00 N ATOM 700 CA ARG A 52 -14.101 5.367 -4.305 1.00 0.00 C ATOM 701 C ARG A 52 -13.467 4.036 -3.877 1.00 0.00 C ATOM 702 O ARG A 52 -14.155 3.018 -3.765 1.00 0.00 O ATOM 703 CB ARG A 52 -15.387 5.105 -5.101 1.00 0.00 C ATOM 704 CG ARG A 52 -16.649 5.219 -4.261 1.00 0.00 C ATOM 705 CD ARG A 52 -17.841 4.562 -4.940 1.00 0.00 C ATOM 706 NE ARG A 52 -18.509 3.593 -4.067 1.00 0.00 N ATOM 707 CZ ARG A 52 -19.173 3.916 -2.951 1.00 0.00 C ATOM 708 NH1 ARG A 52 -19.270 5.186 -2.561 1.00 0.00 N ATOM 709 NH2 ARG A 52 -19.746 2.964 -2.222 1.00 0.00 N ATOM 0 H ARG A 52 -13.232 6.033 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.346 5.928 -3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.444 5.813 -5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.339 4.107 -5.538 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.482 4.754 -3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.869 6.271 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -18.554 5.329 -5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.509 4.061 -5.849 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.465 2.608 -4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.836 5.924 -3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.779 5.420 -1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.679 1.989 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.252 3.209 -1.371 1.00 0.00 H new ATOM 723 N LYS A 53 -12.156 4.055 -3.623 1.00 0.00 N ATOM 724 CA LYS A 53 -11.434 2.859 -3.195 1.00 0.00 C ATOM 725 C LYS A 53 -10.245 3.226 -2.295 1.00 0.00 C ATOM 726 O LYS A 53 -9.114 2.803 -2.545 1.00 0.00 O ATOM 727 CB LYS A 53 -10.942 2.069 -4.415 1.00 0.00 C ATOM 728 CG LYS A 53 -12.046 1.343 -5.169 1.00 0.00 C ATOM 729 CD LYS A 53 -11.498 0.599 -6.379 1.00 0.00 C ATOM 730 CE LYS A 53 -11.297 -0.880 -6.085 1.00 0.00 C ATOM 731 NZ LYS A 53 -11.350 -1.708 -7.323 1.00 0.00 N ATOM 0 H LYS A 53 -11.574 4.888 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.121 2.238 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.438 2.753 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.200 1.341 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.542 0.639 -4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.800 2.061 -5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.184 0.713 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.549 1.043 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.335 -1.024 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.065 -1.219 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.209 -2.709 -7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.277 -1.591 -7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.601 -1.403 -7.977 1.00 0.00 H new ATOM 745 N PRO A 54 -10.483 4.020 -1.228 1.00 0.00 N ATOM 746 CA PRO A 54 -9.425 4.428 -0.301 1.00 0.00 C ATOM 747 C PRO A 54 -9.057 3.312 0.672 1.00 0.00 C ATOM 748 O PRO A 54 -9.729 3.110 1.686 1.00 0.00 O ATOM 749 CB PRO A 54 -10.047 5.614 0.436 1.00 0.00 C ATOM 750 CG PRO A 54 -11.510 5.334 0.434 1.00 0.00 C ATOM 751 CD PRO A 54 -11.797 4.575 -0.837 1.00 0.00 C ATOM 0 HA PRO A 54 -8.494 4.674 -0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.661 5.696 1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.823 6.555 -0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.794 4.749 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.083 6.261 0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.531 3.786 -0.673 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.200 5.229 -1.610 1.00 0.00 H new ATOM 759 N VAL A 55 -7.990 2.585 0.354 1.00 0.00 N ATOM 760 CA VAL A 55 -7.530 1.488 1.197 1.00 0.00 C ATOM 761 C VAL A 55 -6.071 1.688 1.603 1.00 0.00 C ATOM 762 O VAL A 55 -5.292 2.302 0.872 1.00 0.00 O ATOM 763 CB VAL A 55 -7.703 0.118 0.495 1.00 0.00 C ATOM 764 CG1 VAL A 55 -6.854 0.034 -0.769 1.00 0.00 C ATOM 765 CG2 VAL A 55 -7.371 -1.026 1.447 1.00 0.00 C ATOM 0 H VAL A 55 -7.427 2.737 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.149 1.489 2.094 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.749 0.025 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.997 -0.939 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.155 0.820 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.803 0.161 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.500 -1.978 0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.338 -0.932 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.037 -0.987 2.309 1.00 0.00 H new ATOM 775 N ASP A 56 -5.716 1.175 2.778 1.00 0.00 N ATOM 776 CA ASP A 56 -4.357 1.293 3.307 1.00 0.00 C ATOM 777 C ASP A 56 -3.710 -0.081 3.475 1.00 0.00 C ATOM 778 O ASP A 56 -4.354 -1.111 3.260 1.00 0.00 O ATOM 779 CB ASP A 56 -4.368 2.034 4.653 1.00 0.00 C ATOM 780 CG ASP A 56 -5.524 1.635 5.560 1.00 0.00 C ATOM 781 OD1 ASP A 56 -5.998 0.486 5.465 1.00 0.00 O ATOM 782 OD2 ASP A 56 -5.947 2.472 6.375 1.00 0.00 O ATOM 0 H ASP A 56 -6.357 0.668 3.389 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.768 1.865 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.428 1.843 5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.417 3.107 4.467 1.00 0.00 H new ATOM 787 N PHE A 57 -2.432 -0.089 3.864 1.00 0.00 N ATOM 788 CA PHE A 57 -1.694 -1.339 4.062 1.00 0.00 C ATOM 789 C PHE A 57 -2.310 -2.184 5.176 1.00 0.00 C ATOM 790 O PHE A 57 -2.365 -3.411 5.071 1.00 0.00 O ATOM 791 CB PHE A 57 -0.217 -1.060 4.365 1.00 0.00 C ATOM 792 CG PHE A 57 0.585 -0.670 3.152 1.00 0.00 C ATOM 793 CD1 PHE A 57 0.856 -1.596 2.157 1.00 0.00 C ATOM 794 CD2 PHE A 57 1.067 0.623 3.009 1.00 0.00 C ATOM 795 CE1 PHE A 57 1.591 -1.240 1.041 1.00 0.00 C ATOM 796 CE2 PHE A 57 1.802 0.983 1.895 1.00 0.00 C ATOM 797 CZ PHE A 57 2.064 0.050 0.910 1.00 0.00 C ATOM 0 H PHE A 57 -1.888 0.754 4.048 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.760 -1.905 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.151 -0.263 5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.227 -1.949 4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.489 -2.607 2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.866 1.356 3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.795 -1.971 0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.171 1.993 1.795 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.638 0.330 0.039 1.00 0.00 H new ATOM 807 N LYS A 58 -2.772 -1.523 6.237 1.00 0.00 N ATOM 808 CA LYS A 58 -3.391 -2.215 7.370 1.00 0.00 C ATOM 809 C LYS A 58 -4.614 -3.020 6.923 1.00 0.00 C ATOM 810 O LYS A 58 -4.820 -4.148 7.376 1.00 0.00 O ATOM 811 CB LYS A 58 -3.784 -1.212 8.461 1.00 0.00 C ATOM 812 CG LYS A 58 -4.667 -0.087 7.959 1.00 0.00 C ATOM 813 CD LYS A 58 -4.784 1.033 8.982 1.00 0.00 C ATOM 814 CE LYS A 58 -5.630 0.613 10.176 1.00 0.00 C ATOM 815 NZ LYS A 58 -7.086 0.808 9.926 1.00 0.00 N ATOM 0 H LYS A 58 -2.730 -0.509 6.337 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.659 -2.911 7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.303 -1.741 9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.879 -0.787 8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.258 0.310 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.659 -0.477 7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.790 1.321 9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.227 1.911 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.439 -0.435 10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.332 1.190 11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.625 0.510 10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.274 1.813 9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.377 0.238 9.106 1.00 0.00 H new ATOM 829 N LYS A 59 -5.417 -2.442 6.023 1.00 0.00 N ATOM 830 CA LYS A 59 -6.611 -3.117 5.508 1.00 0.00 C ATOM 831 C LYS A 59 -6.225 -4.384 4.748 1.00 0.00 C ATOM 832 O LYS A 59 -6.832 -5.436 4.937 1.00 0.00 O ATOM 833 CB LYS A 59 -7.417 -2.192 4.587 1.00 0.00 C ATOM 834 CG LYS A 59 -8.918 -2.231 4.837 1.00 0.00 C ATOM 835 CD LYS A 59 -9.378 -1.042 5.669 1.00 0.00 C ATOM 836 CE LYS A 59 -10.856 -1.141 6.019 1.00 0.00 C ATOM 837 NZ LYS A 59 -11.714 -0.368 5.075 1.00 0.00 N ATOM 0 H LYS A 59 -5.261 -1.511 5.638 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.232 -3.385 6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.063 -1.169 4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.224 -2.468 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.446 -2.235 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.178 -3.157 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.789 -0.989 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.195 -0.119 5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.160 -2.188 6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.012 -0.773 7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.711 -0.465 5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.443 0.636 5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.586 -0.735 4.110 1.00 0.00 H new ATOM 851 N ILE A 60 -5.206 -4.274 3.893 1.00 0.00 N ATOM 852 CA ILE A 60 -4.733 -5.415 3.108 1.00 0.00 C ATOM 853 C ILE A 60 -4.240 -6.539 4.024 1.00 0.00 C ATOM 854 O ILE A 60 -4.555 -7.710 3.803 1.00 0.00 O ATOM 855 CB ILE A 60 -3.599 -5.013 2.132 1.00 0.00 C ATOM 856 CG1 ILE A 60 -4.006 -3.789 1.301 1.00 0.00 C ATOM 857 CG2 ILE A 60 -3.240 -6.179 1.217 1.00 0.00 C ATOM 858 CD1 ILE A 60 -2.853 -2.859 0.983 1.00 0.00 C ATOM 0 H ILE A 60 -4.694 -3.408 3.727 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.581 -5.769 2.522 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.720 -4.752 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.456 -4.128 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.772 -3.232 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.442 -5.877 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.905 -7.024 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.117 -6.471 0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.216 -2.017 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.416 -2.490 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.096 -3.399 0.415 1.00 0.00 H new ATOM 870 N LYS A 61 -3.472 -6.174 5.057 1.00 0.00 N ATOM 871 CA LYS A 61 -2.942 -7.151 6.011 1.00 0.00 C ATOM 872 C LYS A 61 -4.075 -7.887 6.730 1.00 0.00 C ATOM 873 O LYS A 61 -4.030 -9.107 6.883 1.00 0.00 O ATOM 874 CB LYS A 61 -2.029 -6.470 7.038 1.00 0.00 C ATOM 875 CG LYS A 61 -0.573 -6.902 6.940 1.00 0.00 C ATOM 876 CD LYS A 61 -0.163 -7.768 8.123 1.00 0.00 C ATOM 877 CE LYS A 61 1.098 -8.573 7.828 1.00 0.00 C ATOM 878 NZ LYS A 61 2.186 -7.732 7.250 1.00 0.00 N ATOM 0 H LYS A 61 -3.205 -5.209 5.252 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.357 -7.878 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.089 -5.390 6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.397 -6.688 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.419 -7.455 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.066 -6.020 6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.006 -7.136 8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.977 -8.448 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.452 -9.039 8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.858 -9.379 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.027 -8.320 7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.866 -7.321 6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.424 -6.968 7.914 1.00 0.00 H new ATOM 892 N GLU A 62 -5.092 -7.140 7.163 1.00 0.00 N ATOM 893 CA GLU A 62 -6.235 -7.734 7.853 1.00 0.00 C ATOM 894 C GLU A 62 -7.103 -8.536 6.880 1.00 0.00 C ATOM 895 O GLU A 62 -7.622 -9.596 7.231 1.00 0.00 O ATOM 896 CB GLU A 62 -7.074 -6.653 8.544 1.00 0.00 C ATOM 897 CG GLU A 62 -6.697 -6.425 10.001 1.00 0.00 C ATOM 898 CD GLU A 62 -7.901 -6.132 10.878 1.00 0.00 C ATOM 899 OE1 GLU A 62 -8.410 -4.992 10.827 1.00 0.00 O ATOM 900 OE2 GLU A 62 -8.335 -7.043 11.615 1.00 0.00 O ATOM 0 H GLU A 62 -5.146 -6.128 7.048 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.851 -8.414 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.964 -5.716 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.126 -6.932 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.182 -7.307 10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.995 -5.594 10.065 1.00 0.00 H new ATOM 907 N ARG A 63 -7.253 -8.027 5.653 1.00 0.00 N ATOM 908 CA ARG A 63 -8.053 -8.700 4.628 1.00 0.00 C ATOM 909 C ARG A 63 -7.490 -10.089 4.314 1.00 0.00 C ATOM 910 O ARG A 63 -8.236 -11.068 4.256 1.00 0.00 O ATOM 911 CB ARG A 63 -8.109 -7.856 3.351 1.00 0.00 C ATOM 912 CG ARG A 63 -9.108 -6.709 3.415 1.00 0.00 C ATOM 913 CD ARG A 63 -8.858 -5.689 2.313 1.00 0.00 C ATOM 914 NE ARG A 63 -9.850 -5.776 1.239 1.00 0.00 N ATOM 915 CZ ARG A 63 -9.662 -5.295 0.005 1.00 0.00 C ATOM 916 NH1 ARG A 63 -8.522 -4.684 -0.316 1.00 0.00 N ATOM 917 NH2 ARG A 63 -10.618 -5.420 -0.909 1.00 0.00 N ATOM 0 H ARG A 63 -6.830 -7.151 5.347 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.064 -8.819 5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.117 -7.451 3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.365 -8.502 2.511 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.121 -7.102 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.040 -6.220 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.874 -4.686 2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.862 -5.843 1.898 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.739 -6.232 1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.785 -4.580 0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.386 -4.320 -1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.495 -5.883 -0.670 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.475 -5.053 -1.850 1.00 0.00 H new ATOM 931 N ILE A 64 -6.171 -10.168 4.121 1.00 0.00 N ATOM 932 CA ILE A 64 -5.512 -11.441 3.820 1.00 0.00 C ATOM 933 C ILE A 64 -5.612 -12.419 4.999 1.00 0.00 C ATOM 934 O ILE A 64 -5.574 -13.635 4.805 1.00 0.00 O ATOM 935 CB ILE A 64 -4.031 -11.247 3.415 1.00 0.00 C ATOM 936 CG1 ILE A 64 -3.410 -12.583 2.991 1.00 0.00 C ATOM 937 CG2 ILE A 64 -3.227 -10.619 4.547 1.00 0.00 C ATOM 938 CD1 ILE A 64 -1.992 -12.460 2.470 1.00 0.00 C ATOM 0 H ILE A 64 -5.540 -9.368 4.168 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.041 -11.869 2.968 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.003 -10.565 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.416 -13.263 3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.033 -13.034 2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.191 -10.495 4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.649 -9.645 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.265 -11.266 5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.620 -13.446 2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.980 -11.807 1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.354 -12.039 3.247 1.00 0.00 H new ATOM 950 N ARG A 65 -5.753 -11.883 6.218 1.00 0.00 N ATOM 951 CA ARG A 65 -5.876 -12.713 7.420 1.00 0.00 C ATOM 952 C ARG A 65 -7.046 -13.696 7.288 1.00 0.00 C ATOM 953 O ARG A 65 -6.977 -14.823 7.782 1.00 0.00 O ATOM 954 CB ARG A 65 -6.068 -11.830 8.659 1.00 0.00 C ATOM 955 CG ARG A 65 -5.752 -12.532 9.973 1.00 0.00 C ATOM 956 CD ARG A 65 -5.055 -11.600 10.954 1.00 0.00 C ATOM 957 NE ARG A 65 -3.683 -11.288 10.543 1.00 0.00 N ATOM 958 CZ ARG A 65 -2.745 -10.805 11.366 1.00 0.00 C ATOM 959 NH1 ARG A 65 -3.022 -10.569 12.646 1.00 0.00 N ATOM 960 NH2 ARG A 65 -1.524 -10.554 10.904 1.00 0.00 N ATOM 0 H ARG A 65 -5.785 -10.879 6.396 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.956 -13.286 7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.433 -10.949 8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.099 -11.478 8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.675 -12.905 10.418 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.118 -13.398 9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.625 -10.675 11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.041 -12.060 11.942 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.427 -11.449 9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.957 -10.756 13.008 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.299 -10.201 13.265 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.304 -10.730 9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.808 -10.186 11.530 1.00 0.00 H new ATOM 974 N ASN A 66 -8.111 -13.263 6.606 1.00 0.00 N ATOM 975 CA ASN A 66 -9.291 -14.102 6.388 1.00 0.00 C ATOM 976 C ASN A 66 -9.183 -14.893 5.072 1.00 0.00 C ATOM 977 O ASN A 66 -10.169 -15.464 4.606 1.00 0.00 O ATOM 978 CB ASN A 66 -10.556 -13.233 6.374 1.00 0.00 C ATOM 979 CG ASN A 66 -11.803 -14.004 6.775 1.00 0.00 C ATOM 980 OD1 ASN A 66 -12.468 -14.609 5.934 1.00 0.00 O ATOM 981 ND2 ASN A 66 -12.134 -13.981 8.063 1.00 0.00 N ATOM 0 H ASN A 66 -8.179 -12.332 6.194 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.350 -14.818 7.207 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.421 -12.391 7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.696 -12.818 5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.965 -14.477 8.385 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.556 -13.468 8.729 1.00 0.00 H new ATOM 988 N HIS A 67 -7.982 -14.918 4.478 1.00 0.00 N ATOM 989 CA HIS A 67 -7.741 -15.632 3.218 1.00 0.00 C ATOM 990 C HIS A 67 -8.454 -14.943 2.051 1.00 0.00 C ATOM 991 O HIS A 67 -9.141 -15.590 1.255 1.00 0.00 O ATOM 992 CB HIS A 67 -8.182 -17.100 3.323 1.00 0.00 C ATOM 993 CG HIS A 67 -7.784 -17.771 4.606 1.00 0.00 C ATOM 994 ND1 HIS A 67 -6.640 -17.449 5.306 1.00 0.00 N ATOM 995 CD2 HIS A 67 -8.393 -18.751 5.313 1.00 0.00 C ATOM 996 CE1 HIS A 67 -6.562 -18.204 6.387 1.00 0.00 C ATOM 997 NE2 HIS A 67 -7.614 -19.002 6.417 1.00 0.00 N ATOM 0 H HIS A 67 -7.158 -14.449 4.853 1.00 0.00 H new ATOM 0 HA HIS A 67 -6.668 -15.610 3.026 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.266 -17.150 3.221 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -7.757 -17.656 2.488 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.319 -19.244 5.057 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.771 -18.174 7.122 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.815 -19.692 7.141 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.278 -13.623 1.950 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.894 -12.843 0.877 1.00 0.00 C ATOM 1008 C LYS A 68 -8.093 -12.962 -0.419 1.00 0.00 C ATOM 1009 O LYS A 68 -8.666 -13.085 -1.503 1.00 0.00 O ATOM 1010 CB LYS A 68 -9.012 -11.370 1.281 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.329 -11.028 1.960 1.00 0.00 C ATOM 1012 CD LYS A 68 -10.592 -9.529 1.939 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.998 -9.209 1.452 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.012 -8.764 0.029 1.00 0.00 N ATOM 0 H LYS A 68 -7.714 -13.074 2.598 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.892 -13.246 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.191 -11.119 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.899 -10.748 0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.145 -11.549 1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.311 -11.381 2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.453 -9.121 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.863 -9.041 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.628 -10.091 1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.430 -8.429 2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.989 -8.557 -0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.432 -7.907 -0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.625 -9.517 -0.574 1.00 0.00 H new ATOM 1028 N TYR A 69 -6.764 -12.914 -0.299 1.00 0.00 N ATOM 1029 CA TYR A 69 -5.877 -13.009 -1.458 1.00 0.00 C ATOM 1030 C TYR A 69 -5.259 -14.403 -1.564 1.00 0.00 C ATOM 1031 O TYR A 69 -5.154 -15.124 -0.569 1.00 0.00 O ATOM 1032 CB TYR A 69 -4.772 -11.951 -1.367 1.00 0.00 C ATOM 1033 CG TYR A 69 -5.279 -10.525 -1.459 1.00 0.00 C ATOM 1034 CD1 TYR A 69 -6.063 -9.977 -0.449 1.00 0.00 C ATOM 1035 CD2 TYR A 69 -4.974 -9.727 -2.556 1.00 0.00 C ATOM 1036 CE1 TYR A 69 -6.527 -8.678 -0.530 1.00 0.00 C ATOM 1037 CE2 TYR A 69 -5.436 -8.427 -2.644 1.00 0.00 C ATOM 1038 CZ TYR A 69 -6.212 -7.907 -1.629 1.00 0.00 C ATOM 1039 OH TYR A 69 -6.678 -6.614 -1.710 1.00 0.00 O ATOM 0 H TYR A 69 -6.279 -12.810 0.592 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.471 -12.830 -2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -4.239 -12.077 -0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.051 -12.122 -2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.313 -10.577 0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.366 -10.129 -3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.134 -8.268 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.190 -7.821 -3.504 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.919 -5.995 -1.749 1.00 0.00 H new ATOM 1049 N ARG A 70 -4.857 -14.776 -2.780 1.00 0.00 N ATOM 1050 CA ARG A 70 -4.251 -16.086 -3.028 1.00 0.00 C ATOM 1051 C ARG A 70 -2.969 -15.964 -3.856 1.00 0.00 C ATOM 1052 O ARG A 70 -1.962 -16.603 -3.544 1.00 0.00 O ATOM 1053 CB ARG A 70 -5.249 -17.005 -3.737 1.00 0.00 C ATOM 1054 CG ARG A 70 -5.784 -18.120 -2.850 1.00 0.00 C ATOM 1055 CD ARG A 70 -6.920 -17.635 -1.961 1.00 0.00 C ATOM 1056 NE ARG A 70 -8.228 -17.776 -2.607 1.00 0.00 N ATOM 1057 CZ ARG A 70 -8.890 -18.932 -2.719 1.00 0.00 C ATOM 1058 NH1 ARG A 70 -8.376 -20.058 -2.227 1.00 0.00 N ATOM 1059 NH2 ARG A 70 -10.073 -18.962 -3.324 1.00 0.00 N ATOM 0 H ARG A 70 -4.940 -14.189 -3.610 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.987 -16.518 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.085 -16.408 -4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.768 -17.445 -4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.135 -18.943 -3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.977 -18.510 -2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.915 -18.199 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.755 -16.589 -1.702 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.661 -16.938 -2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.469 -20.043 -1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.889 -20.935 -2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.474 -18.104 -3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.579 -19.843 -3.410 1.00 0.00 H new ATOM 1073 N SER A 71 -3.011 -15.147 -4.913 1.00 0.00 N ATOM 1074 CA SER A 71 -1.850 -14.949 -5.780 1.00 0.00 C ATOM 1075 C SER A 71 -1.117 -13.656 -5.422 1.00 0.00 C ATOM 1076 O SER A 71 -1.745 -12.648 -5.088 1.00 0.00 O ATOM 1077 CB SER A 71 -2.284 -14.911 -7.249 1.00 0.00 C ATOM 1078 OG SER A 71 -1.349 -15.584 -8.077 1.00 0.00 O ATOM 0 H SER A 71 -3.836 -14.614 -5.187 1.00 0.00 H new ATOM 0 HA SER A 71 -1.169 -15.787 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.265 -15.374 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.384 -13.876 -7.575 1.00 0.00 H new ATOM 0 HG SER A 71 -1.651 -15.546 -9.009 1.00 0.00 H new ATOM 1084 N LEU A 72 0.216 -13.689 -5.499 1.00 0.00 N ATOM 1085 CA LEU A 72 1.036 -12.516 -5.186 1.00 0.00 C ATOM 1086 C LEU A 72 0.756 -11.371 -6.162 1.00 0.00 C ATOM 1087 O LEU A 72 0.793 -10.201 -5.780 1.00 0.00 O ATOM 1088 CB LEU A 72 2.527 -12.871 -5.215 1.00 0.00 C ATOM 1089 CG LEU A 72 3.340 -12.352 -4.024 1.00 0.00 C ATOM 1090 CD1 LEU A 72 4.750 -12.925 -4.047 1.00 0.00 C ATOM 1091 CD2 LEU A 72 3.383 -10.830 -4.025 1.00 0.00 C ATOM 0 H LEU A 72 0.749 -14.514 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 72 0.770 -12.188 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.626 -13.956 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.962 -12.475 -6.133 1.00 0.00 H new ATOM 0 HG LEU A 72 2.850 -12.681 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.311 -12.545 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.702 -14.013 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.248 -12.629 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.965 -10.482 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.846 -10.480 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.368 -10.437 -3.957 1.00 0.00 H new ATOM 1103 N ASN A 73 0.472 -11.719 -7.421 1.00 0.00 N ATOM 1104 CA ASN A 73 0.179 -10.719 -8.451 1.00 0.00 C ATOM 1105 C ASN A 73 -0.960 -9.796 -8.012 1.00 0.00 C ATOM 1106 O ASN A 73 -0.919 -8.589 -8.261 1.00 0.00 O ATOM 1107 CB ASN A 73 -0.184 -11.399 -9.775 1.00 0.00 C ATOM 1108 CG ASN A 73 0.610 -10.848 -10.945 1.00 0.00 C ATOM 1109 OD1 ASN A 73 0.472 -9.679 -11.307 1.00 0.00 O ATOM 1110 ND2 ASN A 73 1.450 -11.686 -11.545 1.00 0.00 N ATOM 0 H ASN A 73 0.439 -12.684 -7.750 1.00 0.00 H new ATOM 0 HA ASN A 73 1.077 -10.118 -8.595 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.005 -12.471 -9.691 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.249 -11.268 -9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.010 -11.368 -12.336 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.535 -12.647 -11.214 1.00 0.00 H new ATOM 1117 N ASP A 74 -1.974 -10.369 -7.357 1.00 0.00 N ATOM 1118 CA ASP A 74 -3.120 -9.597 -6.880 1.00 0.00 C ATOM 1119 C ASP A 74 -2.697 -8.594 -5.806 1.00 0.00 C ATOM 1120 O ASP A 74 -3.022 -7.409 -5.890 1.00 0.00 O ATOM 1121 CB ASP A 74 -4.206 -10.528 -6.325 1.00 0.00 C ATOM 1122 CG ASP A 74 -5.610 -10.051 -6.649 1.00 0.00 C ATOM 1123 OD1 ASP A 74 -5.913 -8.867 -6.386 1.00 0.00 O ATOM 1124 OD2 ASP A 74 -6.408 -10.863 -7.161 1.00 0.00 O ATOM 0 H ASP A 74 -2.022 -11.366 -7.146 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.526 -9.046 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.064 -11.529 -6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.094 -10.606 -5.244 1.00 0.00 H new ATOM 1129 N LEU A 75 -1.967 -9.080 -4.799 1.00 0.00 N ATOM 1130 CA LEU A 75 -1.495 -8.229 -3.706 1.00 0.00 C ATOM 1131 C LEU A 75 -0.559 -7.134 -4.224 1.00 0.00 C ATOM 1132 O LEU A 75 -0.681 -5.972 -3.836 1.00 0.00 O ATOM 1133 CB LEU A 75 -0.781 -9.069 -2.640 1.00 0.00 C ATOM 1134 CG LEU A 75 -0.873 -8.516 -1.214 1.00 0.00 C ATOM 1135 CD1 LEU A 75 -1.995 -9.200 -0.445 1.00 0.00 C ATOM 1136 CD2 LEU A 75 0.457 -8.685 -0.488 1.00 0.00 C ATOM 0 H LEU A 75 -1.690 -10.058 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.365 -7.751 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.199 -10.076 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.271 -9.158 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.099 -7.451 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.044 -8.794 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.943 -9.025 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.802 -10.272 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.373 -8.287 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.714 -9.743 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.237 -8.146 -1.027 1.00 0.00 H new ATOM 1148 N GLU A 76 0.368 -7.514 -5.108 1.00 0.00 N ATOM 1149 CA GLU A 76 1.322 -6.565 -5.686 1.00 0.00 C ATOM 1150 C GLU A 76 0.594 -5.430 -6.407 1.00 0.00 C ATOM 1151 O GLU A 76 0.934 -4.258 -6.237 1.00 0.00 O ATOM 1152 CB GLU A 76 2.266 -7.282 -6.656 1.00 0.00 C ATOM 1153 CG GLU A 76 3.673 -6.702 -6.680 1.00 0.00 C ATOM 1154 CD GLU A 76 4.716 -7.711 -7.126 1.00 0.00 C ATOM 1155 OE1 GLU A 76 4.623 -8.192 -8.274 1.00 0.00 O ATOM 1156 OE2 GLU A 76 5.629 -8.015 -6.330 1.00 0.00 O ATOM 0 H GLU A 76 0.478 -8.473 -5.439 1.00 0.00 H new ATOM 0 HA GLU A 76 1.908 -6.137 -4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.321 -8.336 -6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.846 -7.234 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.696 -5.842 -7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.928 -6.338 -5.685 1.00 0.00 H new ATOM 1163 N LYS A 77 -0.414 -5.790 -7.206 1.00 0.00 N ATOM 1164 CA LYS A 77 -1.200 -4.804 -7.949 1.00 0.00 C ATOM 1165 C LYS A 77 -1.924 -3.851 -6.996 1.00 0.00 C ATOM 1166 O LYS A 77 -2.057 -2.660 -7.282 1.00 0.00 O ATOM 1167 CB LYS A 77 -2.220 -5.502 -8.854 1.00 0.00 C ATOM 1168 CG LYS A 77 -1.601 -6.168 -10.073 1.00 0.00 C ATOM 1169 CD LYS A 77 -2.602 -7.064 -10.785 1.00 0.00 C ATOM 1170 CE LYS A 77 -1.917 -7.957 -11.807 1.00 0.00 C ATOM 1171 NZ LYS A 77 -2.730 -8.124 -13.046 1.00 0.00 N ATOM 0 H LYS A 77 -0.704 -6.757 -7.354 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.512 -4.225 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.754 -6.253 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.958 -4.772 -9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.239 -5.405 -10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.736 -6.757 -9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.126 -7.680 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.354 -6.450 -11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.947 -7.532 -12.066 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.729 -8.935 -11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.223 -8.740 -13.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.646 -8.554 -12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.889 -7.195 -13.485 1.00 0.00 H new ATOM 1185 N ASP A 78 -2.387 -4.384 -5.860 1.00 0.00 N ATOM 1186 CA ASP A 78 -3.096 -3.583 -4.861 1.00 0.00 C ATOM 1187 C ASP A 78 -2.183 -2.506 -4.273 1.00 0.00 C ATOM 1188 O ASP A 78 -2.606 -1.364 -4.081 1.00 0.00 O ATOM 1189 CB ASP A 78 -3.639 -4.482 -3.741 1.00 0.00 C ATOM 1190 CG ASP A 78 -4.971 -4.004 -3.186 1.00 0.00 C ATOM 1191 OD1 ASP A 78 -5.830 -3.564 -3.980 1.00 0.00 O ATOM 1192 OD2 ASP A 78 -5.159 -4.078 -1.952 1.00 0.00 O ATOM 0 H ASP A 78 -2.282 -5.368 -5.611 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.932 -3.090 -5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.754 -5.497 -4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.910 -4.525 -2.932 1.00 0.00 H new ATOM 1197 N VAL A 79 -0.930 -2.873 -3.998 1.00 0.00 N ATOM 1198 CA VAL A 79 0.041 -1.930 -3.441 1.00 0.00 C ATOM 1199 C VAL A 79 0.360 -0.823 -4.447 1.00 0.00 C ATOM 1200 O VAL A 79 0.372 0.359 -4.097 1.00 0.00 O ATOM 1201 CB VAL A 79 1.355 -2.631 -3.023 1.00 0.00 C ATOM 1202 CG1 VAL A 79 2.290 -1.644 -2.335 1.00 0.00 C ATOM 1203 CG2 VAL A 79 1.071 -3.826 -2.119 1.00 0.00 C ATOM 0 H VAL A 79 -0.565 -3.813 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.416 -1.497 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 79 1.846 -3.000 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.210 -2.154 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.526 -0.829 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.805 -1.242 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.011 -4.302 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.554 -3.488 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.445 -4.543 -2.650 1.00 0.00 H new ATOM 1213 N MET A 80 0.609 -1.213 -5.700 1.00 0.00 N ATOM 1214 CA MET A 80 0.917 -0.252 -6.759 1.00 0.00 C ATOM 1215 C MET A 80 -0.276 0.673 -7.018 1.00 0.00 C ATOM 1216 O MET A 80 -0.100 1.868 -7.263 1.00 0.00 O ATOM 1217 CB MET A 80 1.314 -0.983 -8.047 1.00 0.00 C ATOM 1218 CG MET A 80 2.820 -1.071 -8.261 1.00 0.00 C ATOM 1219 SD MET A 80 3.360 -2.722 -8.745 1.00 0.00 S ATOM 1220 CE MET A 80 5.136 -2.490 -8.821 1.00 0.00 C ATOM 0 H MET A 80 0.603 -2.187 -6.004 1.00 0.00 H new ATOM 0 HA MET A 80 1.758 0.358 -6.431 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.899 -1.991 -8.025 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.864 -0.472 -8.898 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.116 -0.357 -9.029 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.331 -0.781 -7.343 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.634 -3.454 -8.718 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.404 -2.044 -9.779 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.452 -1.831 -8.012 1.00 0.00 H new ATOM 1230 N LEU A 81 -1.489 0.115 -6.950 1.00 0.00 N ATOM 1231 CA LEU A 81 -2.713 0.894 -7.165 1.00 0.00 C ATOM 1232 C LEU A 81 -2.881 1.958 -6.077 1.00 0.00 C ATOM 1233 O LEU A 81 -3.296 3.082 -6.360 1.00 0.00 O ATOM 1234 CB LEU A 81 -3.940 -0.026 -7.188 1.00 0.00 C ATOM 1235 CG LEU A 81 -4.650 -0.133 -8.542 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -4.543 -1.548 -9.093 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -6.109 0.285 -8.415 1.00 0.00 C ATOM 0 H LEU A 81 -1.650 -0.872 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.627 1.394 -8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.632 -1.024 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.656 0.331 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.159 0.544 -9.241 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.053 -1.604 -10.055 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.493 -1.809 -9.224 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.006 -2.246 -8.396 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.597 0.203 -9.386 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.613 -0.365 -7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.163 1.317 -8.068 1.00 0.00 H new ATOM 1249 N LEU A 82 -2.555 1.592 -4.833 1.00 0.00 N ATOM 1250 CA LEU A 82 -2.666 2.512 -3.699 1.00 0.00 C ATOM 1251 C LEU A 82 -1.788 3.746 -3.906 1.00 0.00 C ATOM 1252 O LEU A 82 -2.232 4.876 -3.692 1.00 0.00 O ATOM 1253 CB LEU A 82 -2.265 1.806 -2.397 1.00 0.00 C ATOM 1254 CG LEU A 82 -3.091 2.181 -1.163 1.00 0.00 C ATOM 1255 CD1 LEU A 82 -2.592 1.419 0.059 1.00 0.00 C ATOM 1256 CD2 LEU A 82 -3.040 3.682 -0.914 1.00 0.00 C ATOM 0 H LEU A 82 -2.212 0.664 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.705 2.832 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.340 0.729 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.217 2.026 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.129 1.903 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.188 1.695 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.684 0.347 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.547 1.668 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.634 3.925 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.007 3.989 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.443 4.208 -1.779 1.00 0.00 H new ATOM 1268 N CYS A 83 -0.540 3.523 -4.332 1.00 0.00 N ATOM 1269 CA CYS A 83 0.397 4.619 -4.578 1.00 0.00 C ATOM 1270 C CYS A 83 -0.132 5.544 -5.674 1.00 0.00 C ATOM 1271 O CYS A 83 -0.027 6.768 -5.569 1.00 0.00 O ATOM 1272 CB CYS A 83 1.776 4.075 -4.969 1.00 0.00 C ATOM 1273 SG CYS A 83 2.890 3.808 -3.571 1.00 0.00 S ATOM 0 H CYS A 83 -0.158 2.595 -4.513 1.00 0.00 H new ATOM 0 HA CYS A 83 0.497 5.191 -3.656 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.645 3.132 -5.500 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.245 4.771 -5.665 1.00 0.00 H new ATOM 0 HG CYS A 83 4.026 3.346 -4.003 1.00 0.00 H new ATOM 1279 N GLN A 84 -0.714 4.949 -6.719 1.00 0.00 N ATOM 1280 CA GLN A 84 -1.277 5.716 -7.830 1.00 0.00 C ATOM 1281 C GLN A 84 -2.392 6.645 -7.344 1.00 0.00 C ATOM 1282 O GLN A 84 -2.497 7.785 -7.799 1.00 0.00 O ATOM 1283 CB GLN A 84 -1.819 4.774 -8.912 1.00 0.00 C ATOM 1284 CG GLN A 84 -1.373 5.144 -10.319 1.00 0.00 C ATOM 1285 CD GLN A 84 -2.452 5.860 -11.116 1.00 0.00 C ATOM 1286 OE1 GLN A 84 -3.639 5.778 -10.795 1.00 0.00 O ATOM 1287 NE2 GLN A 84 -2.045 6.564 -12.166 1.00 0.00 N ATOM 0 H GLN A 84 -0.807 3.938 -6.817 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.479 6.325 -8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.495 3.757 -8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.908 4.777 -8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.491 5.781 -10.259 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.077 4.239 -10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.053 6.606 -12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.725 7.062 -12.740 1.00 0.00 H new ATOM 1296 N ASN A 85 -3.216 6.149 -6.412 1.00 0.00 N ATOM 1297 CA ASN A 85 -4.321 6.933 -5.853 1.00 0.00 C ATOM 1298 C ASN A 85 -3.802 8.181 -5.136 1.00 0.00 C ATOM 1299 O ASN A 85 -4.398 9.255 -5.235 1.00 0.00 O ATOM 1300 CB ASN A 85 -5.152 6.083 -4.884 1.00 0.00 C ATOM 1301 CG ASN A 85 -5.866 4.927 -5.570 1.00 0.00 C ATOM 1302 OD1 ASN A 85 -5.857 4.813 -6.796 1.00 0.00 O ATOM 1303 ND2 ASN A 85 -6.496 4.064 -4.777 1.00 0.00 N ATOM 0 H ASN A 85 -3.137 5.207 -6.030 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.956 7.248 -6.681 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.500 5.689 -4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.889 6.718 -4.393 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.996 3.272 -5.181 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.479 4.195 -3.766 1.00 0.00 H new ATOM 1310 N ALA A 86 -2.683 8.037 -4.424 1.00 0.00 N ATOM 1311 CA ALA A 86 -2.082 9.160 -3.710 1.00 0.00 C ATOM 1312 C ALA A 86 -1.482 10.162 -4.696 1.00 0.00 C ATOM 1313 O ALA A 86 -1.565 11.374 -4.490 1.00 0.00 O ATOM 1314 CB ALA A 86 -1.018 8.671 -2.735 1.00 0.00 C ATOM 0 H ALA A 86 -2.178 7.156 -4.328 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.865 9.661 -3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.583 9.524 -2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.472 7.995 -2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.237 8.144 -3.283 1.00 0.00 H new ATOM 1320 N GLN A 87 -0.881 9.644 -5.771 1.00 0.00 N ATOM 1321 CA GLN A 87 -0.271 10.488 -6.797 1.00 0.00 C ATOM 1322 C GLN A 87 -1.325 11.308 -7.545 1.00 0.00 C ATOM 1323 O GLN A 87 -1.080 12.462 -7.894 1.00 0.00 O ATOM 1324 CB GLN A 87 0.535 9.637 -7.782 1.00 0.00 C ATOM 1325 CG GLN A 87 1.831 9.098 -7.197 1.00 0.00 C ATOM 1326 CD GLN A 87 3.066 9.696 -7.850 1.00 0.00 C ATOM 1327 OE1 GLN A 87 3.118 10.894 -8.126 1.00 0.00 O ATOM 1328 NE2 GLN A 87 4.071 8.862 -8.096 1.00 0.00 N ATOM 0 H GLN A 87 -0.805 8.643 -5.952 1.00 0.00 H new ATOM 0 HA GLN A 87 0.403 11.183 -6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -0.080 8.801 -8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.765 10.235 -8.664 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.855 9.305 -6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.853 8.014 -7.312 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.987 7.875 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.927 9.208 -8.530 1.00 0.00 H new ATOM 1337 N THR A 88 -2.498 10.713 -7.787 1.00 0.00 N ATOM 1338 CA THR A 88 -3.579 11.412 -8.489 1.00 0.00 C ATOM 1339 C THR A 88 -4.109 12.587 -7.661 1.00 0.00 C ATOM 1340 O THR A 88 -4.548 13.594 -8.217 1.00 0.00 O ATOM 1341 CB THR A 88 -4.730 10.454 -8.828 1.00 0.00 C ATOM 1342 OG1 THR A 88 -4.849 9.431 -7.858 1.00 0.00 O ATOM 1343 CG2 THR A 88 -4.580 9.790 -10.180 1.00 0.00 C ATOM 0 H THR A 88 -2.722 9.757 -7.510 1.00 0.00 H new ATOM 0 HA THR A 88 -3.162 11.800 -9.418 1.00 0.00 H new ATOM 0 HB THR A 88 -5.621 11.081 -8.843 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.684 9.804 -6.967 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.427 9.127 -10.356 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.549 10.552 -10.958 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.656 9.212 -10.201 1.00 0.00 H new ATOM 1351 N PHE A 89 -4.063 12.455 -6.332 1.00 0.00 N ATOM 1352 CA PHE A 89 -4.536 13.511 -5.439 1.00 0.00 C ATOM 1353 C PHE A 89 -3.442 14.553 -5.192 1.00 0.00 C ATOM 1354 O PHE A 89 -3.735 15.736 -5.012 1.00 0.00 O ATOM 1355 CB PHE A 89 -5.005 12.913 -4.108 1.00 0.00 C ATOM 1356 CG PHE A 89 -5.830 13.857 -3.276 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -7.133 14.167 -3.638 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -5.302 14.439 -2.133 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -7.891 15.036 -2.877 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -6.058 15.308 -1.367 1.00 0.00 C ATOM 1361 CZ PHE A 89 -7.354 15.607 -1.741 1.00 0.00 C ATOM 0 H PHE A 89 -3.704 11.629 -5.854 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.378 14.008 -5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.589 12.015 -4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.133 12.603 -3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.560 13.724 -4.525 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.289 14.211 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.904 15.269 -3.171 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.636 15.752 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.946 16.286 -1.145 1.00 0.00 H new ATOM 1371 N ASN A 90 -2.180 14.110 -5.180 1.00 0.00 N ATOM 1372 CA ASN A 90 -1.054 15.013 -4.947 1.00 0.00 C ATOM 1373 C ASN A 90 -0.514 15.594 -6.256 1.00 0.00 C ATOM 1374 O ASN A 90 -0.858 15.129 -7.344 1.00 0.00 O ATOM 1375 CB ASN A 90 0.064 14.290 -4.191 1.00 0.00 C ATOM 1376 CG ASN A 90 0.656 15.151 -3.093 1.00 0.00 C ATOM 1377 OD1 ASN A 90 1.792 15.609 -3.194 1.00 0.00 O ATOM 1378 ND2 ASN A 90 -0.117 15.380 -2.036 1.00 0.00 N ATOM 0 H ASN A 90 -1.916 13.136 -5.328 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.419 15.841 -4.340 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.327 13.369 -3.758 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.849 14.005 -4.891 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.227 15.956 -1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.054 14.980 -1.993 1.00 0.00 H new ATOM 1385 N LEU A 91 0.333 16.620 -6.137 1.00 0.00 N ATOM 1386 CA LEU A 91 0.923 17.277 -7.303 1.00 0.00 C ATOM 1387 C LEU A 91 2.325 17.807 -6.990 1.00 0.00 C ATOM 1388 O LEU A 91 2.779 17.752 -5.846 1.00 0.00 O ATOM 1389 CB LEU A 91 0.025 18.426 -7.772 1.00 0.00 C ATOM 1390 CG LEU A 91 -0.947 18.074 -8.902 1.00 0.00 C ATOM 1391 CD1 LEU A 91 -1.953 19.198 -9.110 1.00 0.00 C ATOM 1392 CD2 LEU A 91 -0.188 17.786 -10.191 1.00 0.00 C ATOM 0 H LEU A 91 0.625 17.013 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 91 1.008 16.537 -8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.550 18.788 -6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.658 19.249 -8.102 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.493 17.174 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.636 18.931 -9.917 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.519 19.354 -8.192 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.425 20.115 -9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.896 17.538 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.385 18.667 -10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.490 16.947 -10.034 1.00 0.00 H new ATOM 1404 N GLU A 92 3.002 18.324 -8.019 1.00 0.00 N ATOM 1405 CA GLU A 92 4.347 18.867 -7.867 1.00 0.00 C ATOM 1406 C GLU A 92 4.353 20.061 -6.914 1.00 0.00 C ATOM 1407 O GLU A 92 3.550 20.986 -7.052 1.00 0.00 O ATOM 1408 CB GLU A 92 4.913 19.286 -9.229 1.00 0.00 C ATOM 1409 CG GLU A 92 5.771 18.215 -9.887 1.00 0.00 C ATOM 1410 CD GLU A 92 5.847 18.364 -11.397 1.00 0.00 C ATOM 1411 OE1 GLU A 92 6.167 19.475 -11.873 1.00 0.00 O ATOM 1412 OE2 GLU A 92 5.589 17.366 -12.103 1.00 0.00 O ATOM 0 H GLU A 92 2.635 18.376 -8.969 1.00 0.00 H new ATOM 0 HA GLU A 92 4.977 18.084 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.087 19.538 -9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.508 20.190 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.778 18.257 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.367 17.232 -9.644 1.00 0.00 H new ATOM 1419 N GLY A 93 5.268 20.023 -5.952 1.00 0.00 N ATOM 1420 CA GLY A 93 5.382 21.097 -4.977 1.00 0.00 C ATOM 1421 C GLY A 93 4.829 20.714 -3.617 1.00 0.00 C ATOM 1422 O GLY A 93 3.987 21.423 -3.063 1.00 0.00 O ATOM 0 H GLY A 93 5.938 19.264 -5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.430 21.378 -4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.852 21.975 -5.346 1.00 0.00 H new ATOM 1426 N SER A 94 5.304 19.589 -3.078 1.00 0.00 N ATOM 1427 CA SER A 94 4.855 19.105 -1.774 1.00 0.00 C ATOM 1428 C SER A 94 5.668 17.890 -1.328 1.00 0.00 C ATOM 1429 O SER A 94 6.065 17.063 -2.152 1.00 0.00 O ATOM 1430 CB SER A 94 3.368 18.739 -1.823 1.00 0.00 C ATOM 1431 OG SER A 94 2.757 18.918 -0.557 1.00 0.00 O ATOM 0 H SER A 94 6.002 18.996 -3.527 1.00 0.00 H new ATOM 0 HA SER A 94 5.005 19.908 -1.052 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.862 19.357 -2.565 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.256 17.703 -2.141 1.00 0.00 H new ATOM 0 HG SER A 94 1.808 18.679 -0.615 1.00 0.00 H new ATOM 1437 N LEU A 95 5.903 17.785 -0.017 1.00 0.00 N ATOM 1438 CA LEU A 95 6.658 16.661 0.544 1.00 0.00 C ATOM 1439 C LEU A 95 5.973 15.334 0.215 1.00 0.00 C ATOM 1440 O LEU A 95 6.638 14.336 -0.068 1.00 0.00 O ATOM 1441 CB LEU A 95 6.798 16.818 2.065 1.00 0.00 C ATOM 1442 CG LEU A 95 7.693 15.781 2.756 1.00 0.00 C ATOM 1443 CD1 LEU A 95 9.162 16.047 2.453 1.00 0.00 C ATOM 1444 CD2 LEU A 95 7.446 15.784 4.258 1.00 0.00 C ATOM 0 H LEU A 95 5.582 18.463 0.674 1.00 0.00 H new ATOM 0 HA LEU A 95 7.652 16.659 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.194 17.812 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.805 16.770 2.511 1.00 0.00 H new ATOM 0 HG LEU A 95 7.440 14.795 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.778 15.300 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.327 15.992 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.434 17.040 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.088 15.043 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.670 16.771 4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.402 15.540 4.456 1.00 0.00 H new ATOM 1456 N ILE A 96 4.638 15.338 0.242 1.00 0.00 N ATOM 1457 CA ILE A 96 3.852 14.142 -0.063 1.00 0.00 C ATOM 1458 C ILE A 96 4.169 13.614 -1.467 1.00 0.00 C ATOM 1459 O ILE A 96 4.286 12.404 -1.668 1.00 0.00 O ATOM 1460 CB ILE A 96 2.333 14.415 0.042 1.00 0.00 C ATOM 1461 CG1 ILE A 96 1.982 15.044 1.397 1.00 0.00 C ATOM 1462 CG2 ILE A 96 1.543 13.129 -0.166 1.00 0.00 C ATOM 1463 CD1 ILE A 96 0.564 15.570 1.472 1.00 0.00 C ATOM 0 H ILE A 96 4.078 16.159 0.473 1.00 0.00 H new ATOM 0 HA ILE A 96 4.127 13.391 0.677 1.00 0.00 H new ATOM 0 HB ILE A 96 2.062 15.121 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.127 14.301 2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.675 15.861 1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.477 13.341 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.762 12.723 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.825 12.402 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.387 16.000 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.419 16.336 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.137 14.753 1.302 1.00 0.00 H new ATOM 1475 N TYR A 97 4.308 14.527 -2.435 1.00 0.00 N ATOM 1476 CA TYR A 97 4.613 14.146 -3.816 1.00 0.00 C ATOM 1477 C TYR A 97 5.972 13.451 -3.901 1.00 0.00 C ATOM 1478 O TYR A 97 6.106 12.415 -4.553 1.00 0.00 O ATOM 1479 CB TYR A 97 4.593 15.370 -4.736 1.00 0.00 C ATOM 1480 CG TYR A 97 4.510 15.023 -6.209 1.00 0.00 C ATOM 1481 CD1 TYR A 97 3.313 14.604 -6.780 1.00 0.00 C ATOM 1482 CD2 TYR A 97 5.630 15.114 -7.027 1.00 0.00 C ATOM 1483 CE1 TYR A 97 3.235 14.288 -8.123 1.00 0.00 C ATOM 1484 CE2 TYR A 97 5.559 14.799 -8.371 1.00 0.00 C ATOM 1485 CZ TYR A 97 4.361 14.388 -8.914 1.00 0.00 C ATOM 1486 OH TYR A 97 4.286 14.075 -10.253 1.00 0.00 O ATOM 0 H TYR A 97 4.214 15.532 -2.287 1.00 0.00 H new ATOM 0 HA TYR A 97 3.843 13.449 -4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.743 15.999 -4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.493 15.960 -4.561 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.430 14.524 -6.164 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.571 15.436 -6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.298 13.965 -8.551 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.439 14.875 -8.993 1.00 0.00 H new ATOM 0 HH TYR A 97 5.165 14.199 -10.668 1.00 0.00 H new ATOM 1496 N GLU A 98 6.974 14.022 -3.228 1.00 0.00 N ATOM 1497 CA GLU A 98 8.320 13.447 -3.216 1.00 0.00 C ATOM 1498 C GLU A 98 8.298 12.043 -2.605 1.00 0.00 C ATOM 1499 O GLU A 98 8.983 11.137 -3.088 1.00 0.00 O ATOM 1500 CB GLU A 98 9.276 14.350 -2.430 1.00 0.00 C ATOM 1501 CG GLU A 98 10.736 13.930 -2.527 1.00 0.00 C ATOM 1502 CD GLU A 98 11.688 14.955 -1.934 1.00 0.00 C ATOM 1503 OE1 GLU A 98 11.383 15.499 -0.850 1.00 0.00 O ATOM 1504 OE2 GLU A 98 12.740 15.213 -2.555 1.00 0.00 O ATOM 0 H GLU A 98 6.878 14.880 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 98 8.673 13.373 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.177 15.373 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.978 14.354 -1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.870 12.978 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.993 13.766 -3.574 1.00 0.00 H new ATOM 1511 N ASP A 99 7.499 11.874 -1.546 1.00 0.00 N ATOM 1512 CA ASP A 99 7.367 10.585 -0.863 1.00 0.00 C ATOM 1513 C ASP A 99 6.889 9.498 -1.829 1.00 0.00 C ATOM 1514 O ASP A 99 7.389 8.371 -1.800 1.00 0.00 O ATOM 1515 CB ASP A 99 6.389 10.700 0.316 1.00 0.00 C ATOM 1516 CG ASP A 99 6.992 11.371 1.543 1.00 0.00 C ATOM 1517 OD1 ASP A 99 8.070 11.991 1.425 1.00 0.00 O ATOM 1518 OD2 ASP A 99 6.378 11.275 2.626 1.00 0.00 O ATOM 0 H ASP A 99 6.931 12.619 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 99 8.350 10.305 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.513 11.264 -0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.044 9.703 0.590 1.00 0.00 H new ATOM 1523 N SER A 100 5.927 9.845 -2.689 1.00 0.00 N ATOM 1524 CA SER A 100 5.392 8.898 -3.670 1.00 0.00 C ATOM 1525 C SER A 100 6.490 8.447 -4.636 1.00 0.00 C ATOM 1526 O SER A 100 6.574 7.266 -4.983 1.00 0.00 O ATOM 1527 CB SER A 100 4.221 9.523 -4.442 1.00 0.00 C ATOM 1528 OG SER A 100 4.674 10.339 -5.509 1.00 0.00 O ATOM 0 H SER A 100 5.504 10.772 -2.725 1.00 0.00 H new ATOM 0 HA SER A 100 5.023 8.023 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.580 8.733 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.612 10.118 -3.761 1.00 0.00 H new ATOM 0 HG SER A 100 4.992 11.195 -5.154 1.00 0.00 H new ATOM 1534 N ILE A 101 7.340 9.390 -5.053 1.00 0.00 N ATOM 1535 CA ILE A 101 8.441 9.085 -5.965 1.00 0.00 C ATOM 1536 C ILE A 101 9.441 8.136 -5.299 1.00 0.00 C ATOM 1537 O ILE A 101 9.884 7.161 -5.911 1.00 0.00 O ATOM 1538 CB ILE A 101 9.183 10.363 -6.432 1.00 0.00 C ATOM 1539 CG1 ILE A 101 8.190 11.409 -6.959 1.00 0.00 C ATOM 1540 CG2 ILE A 101 10.213 10.019 -7.502 1.00 0.00 C ATOM 1541 CD1 ILE A 101 7.302 10.907 -8.079 1.00 0.00 C ATOM 0 H ILE A 101 7.285 10.369 -4.773 1.00 0.00 H new ATOM 0 HA ILE A 101 8.003 8.607 -6.841 1.00 0.00 H new ATOM 0 HB ILE A 101 9.702 10.789 -5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.562 11.746 -6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.746 12.278 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.725 10.927 -7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.940 9.316 -7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.711 9.567 -8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.630 11.704 -8.396 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.920 10.597 -8.922 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.717 10.058 -7.726 1.00 0.00 H new ATOM 1553 N VAL A 102 9.779 8.423 -4.041 1.00 0.00 N ATOM 1554 CA VAL A 102 10.715 7.591 -3.285 1.00 0.00 C ATOM 1555 C VAL A 102 10.160 6.177 -3.102 1.00 0.00 C ATOM 1556 O VAL A 102 10.883 5.193 -3.272 1.00 0.00 O ATOM 1557 CB VAL A 102 11.029 8.195 -1.894 1.00 0.00 C ATOM 1558 CG1 VAL A 102 12.104 7.382 -1.187 1.00 0.00 C ATOM 1559 CG2 VAL A 102 11.454 9.654 -2.017 1.00 0.00 C ATOM 0 H VAL A 102 9.418 9.225 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 102 11.638 7.551 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 102 10.119 8.157 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.311 7.822 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.758 6.357 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 102 13.015 7.384 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.669 10.055 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.348 9.722 -2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.650 10.230 -2.475 1.00 0.00 H new ATOM 1569 N LEU A 103 8.870 6.083 -2.760 1.00 0.00 N ATOM 1570 CA LEU A 103 8.215 4.788 -2.561 1.00 0.00 C ATOM 1571 C LEU A 103 8.348 3.912 -3.806 1.00 0.00 C ATOM 1572 O LEU A 103 8.653 2.721 -3.704 1.00 0.00 O ATOM 1573 CB LEU A 103 6.733 4.981 -2.222 1.00 0.00 C ATOM 1574 CG LEU A 103 6.278 4.345 -0.906 1.00 0.00 C ATOM 1575 CD1 LEU A 103 5.047 5.058 -0.370 1.00 0.00 C ATOM 1576 CD2 LEU A 103 6.000 2.860 -1.096 1.00 0.00 C ATOM 0 H LEU A 103 8.261 6.888 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 103 8.710 4.289 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.522 6.050 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.134 4.567 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 103 7.081 4.450 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.736 4.594 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.282 6.108 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.238 4.985 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.678 2.426 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.215 2.729 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.908 2.360 -1.434 1.00 0.00 H new ATOM 1588 N GLN A 104 8.126 4.510 -4.979 1.00 0.00 N ATOM 1589 CA GLN A 104 8.231 3.784 -6.244 1.00 0.00 C ATOM 1590 C GLN A 104 9.632 3.196 -6.417 1.00 0.00 C ATOM 1591 O GLN A 104 9.782 2.051 -6.842 1.00 0.00 O ATOM 1592 CB GLN A 104 7.909 4.705 -7.425 1.00 0.00 C ATOM 1593 CG GLN A 104 6.424 4.954 -7.625 1.00 0.00 C ATOM 1594 CD GLN A 104 5.677 3.708 -8.073 1.00 0.00 C ATOM 1595 OE1 GLN A 104 6.198 2.900 -8.842 1.00 0.00 O ATOM 1596 NE2 GLN A 104 4.448 3.548 -7.594 1.00 0.00 N ATOM 0 H GLN A 104 7.873 5.493 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 104 7.507 2.970 -6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 104 8.411 5.661 -7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.320 4.269 -8.336 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.991 5.317 -6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.288 5.741 -8.367 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.054 4.242 -6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 104 3.899 2.731 -7.861 1.00 0.00 H new ATOM 1605 N SER A 105 10.654 3.989 -6.074 1.00 0.00 N ATOM 1606 CA SER A 105 12.045 3.550 -6.182 1.00 0.00 C ATOM 1607 C SER A 105 12.298 2.314 -5.317 1.00 0.00 C ATOM 1608 O SER A 105 12.947 1.363 -5.758 1.00 0.00 O ATOM 1609 CB SER A 105 12.996 4.677 -5.768 1.00 0.00 C ATOM 1610 OG SER A 105 14.350 4.319 -5.997 1.00 0.00 O ATOM 0 H SER A 105 10.541 4.939 -5.719 1.00 0.00 H new ATOM 0 HA SER A 105 12.234 3.289 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.757 5.581 -6.328 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.852 4.908 -4.712 1.00 0.00 H new ATOM 0 HG SER A 105 14.934 5.057 -5.725 1.00 0.00 H new ATOM 1616 N VAL A 106 11.777 2.333 -4.088 1.00 0.00 N ATOM 1617 CA VAL A 106 11.945 1.207 -3.170 1.00 0.00 C ATOM 1618 C VAL A 106 11.332 -0.065 -3.761 1.00 0.00 C ATOM 1619 O VAL A 106 11.929 -1.140 -3.688 1.00 0.00 O ATOM 1620 CB VAL A 106 11.313 1.483 -1.785 1.00 0.00 C ATOM 1621 CG1 VAL A 106 11.692 0.389 -0.796 1.00 0.00 C ATOM 1622 CG2 VAL A 106 11.732 2.850 -1.255 1.00 0.00 C ATOM 0 H VAL A 106 11.238 3.112 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 106 13.018 1.071 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 106 10.229 1.483 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.238 0.601 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.333 -0.573 -1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 106 12.776 0.355 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.274 3.018 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.817 2.885 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.405 3.625 -1.948 1.00 0.00 H new ATOM 1632 N PHE A 107 10.142 0.070 -4.356 1.00 0.00 N ATOM 1633 CA PHE A 107 9.456 -1.065 -4.974 1.00 0.00 C ATOM 1634 C PHE A 107 10.308 -1.676 -6.088 1.00 0.00 C ATOM 1635 O PHE A 107 10.390 -2.900 -6.215 1.00 0.00 O ATOM 1636 CB PHE A 107 8.098 -0.631 -5.538 1.00 0.00 C ATOM 1637 CG PHE A 107 7.028 -1.688 -5.436 1.00 0.00 C ATOM 1638 CD1 PHE A 107 7.195 -2.930 -6.030 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.853 -1.434 -4.745 1.00 0.00 C ATOM 1640 CE1 PHE A 107 6.211 -3.896 -5.936 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.868 -2.396 -4.648 1.00 0.00 C ATOM 1642 CZ PHE A 107 5.047 -3.630 -5.243 1.00 0.00 C ATOM 0 H PHE A 107 9.636 0.953 -4.422 1.00 0.00 H new ATOM 0 HA PHE A 107 9.296 -1.819 -4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 107 7.765 0.262 -5.009 1.00 0.00 H new ATOM 0 HB3 PHE A 107 8.222 -0.354 -6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 107 8.104 -3.145 -6.572 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.707 -0.472 -4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 107 6.353 -4.859 -6.405 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.958 -2.184 -4.107 1.00 0.00 H new ATOM 0 HZ PHE A 107 4.278 -4.385 -5.166 1.00 0.00 H new ATOM 1652 N THR A 108 10.947 -0.816 -6.891 1.00 0.00 N ATOM 1653 CA THR A 108 11.799 -1.276 -7.993 1.00 0.00 C ATOM 1654 C THR A 108 12.972 -2.101 -7.463 1.00 0.00 C ATOM 1655 O THR A 108 13.326 -3.128 -8.043 1.00 0.00 O ATOM 1656 CB THR A 108 12.334 -0.097 -8.822 1.00 0.00 C ATOM 1657 OG1 THR A 108 11.579 1.084 -8.601 1.00 0.00 O ATOM 1658 CG2 THR A 108 12.336 -0.368 -10.313 1.00 0.00 C ATOM 0 H THR A 108 10.890 0.198 -6.798 1.00 0.00 H new ATOM 0 HA THR A 108 11.182 -1.901 -8.638 1.00 0.00 H new ATOM 0 HB THR A 108 13.362 0.036 -8.484 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.947 1.814 -9.142 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.725 0.503 -10.841 1.00 0.00 H new ATOM 0 HG22 THR A 108 12.966 -1.232 -10.525 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.318 -0.570 -10.647 1.00 0.00 H new ATOM 1666 N SER A 109 13.566 -1.647 -6.355 1.00 0.00 N ATOM 1667 CA SER A 109 14.695 -2.348 -5.743 1.00 0.00 C ATOM 1668 C SER A 109 14.283 -3.756 -5.311 1.00 0.00 C ATOM 1669 O SER A 109 15.010 -4.723 -5.546 1.00 0.00 O ATOM 1670 CB SER A 109 15.226 -1.564 -4.538 1.00 0.00 C ATOM 1671 OG SER A 109 16.254 -0.667 -4.927 1.00 0.00 O ATOM 0 H SER A 109 13.283 -0.798 -5.865 1.00 0.00 H new ATOM 0 HA SER A 109 15.488 -2.428 -6.486 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.411 -1.009 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.608 -2.257 -3.788 1.00 0.00 H new ATOM 0 HG SER A 109 16.575 -0.177 -4.141 1.00 0.00 H new ATOM 1677 N VAL A 110 13.104 -3.865 -4.691 1.00 0.00 N ATOM 1678 CA VAL A 110 12.588 -5.157 -4.242 1.00 0.00 C ATOM 1679 C VAL A 110 12.265 -6.048 -5.441 1.00 0.00 C ATOM 1680 O VAL A 110 12.630 -7.222 -5.464 1.00 0.00 O ATOM 1681 CB VAL A 110 11.324 -5.001 -3.365 1.00 0.00 C ATOM 1682 CG1 VAL A 110 10.894 -6.348 -2.795 1.00 0.00 C ATOM 1683 CG2 VAL A 110 11.565 -3.995 -2.246 1.00 0.00 C ATOM 0 H VAL A 110 12.492 -3.074 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 110 13.367 -5.620 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 110 10.518 -4.624 -3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 110 10.003 -6.216 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.673 -7.035 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 110 11.698 -6.758 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 110 10.663 -3.901 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 110 12.388 -4.338 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.817 -3.026 -2.676 1.00 0.00 H new ATOM 1693 N ARG A 111 11.589 -5.474 -6.440 1.00 0.00 N ATOM 1694 CA ARG A 111 11.227 -6.211 -7.652 1.00 0.00 C ATOM 1695 C ARG A 111 12.473 -6.727 -8.378 1.00 0.00 C ATOM 1696 O ARG A 111 12.491 -7.859 -8.861 1.00 0.00 O ATOM 1697 CB ARG A 111 10.405 -5.319 -8.588 1.00 0.00 C ATOM 1698 CG ARG A 111 9.757 -6.075 -9.740 1.00 0.00 C ATOM 1699 CD ARG A 111 8.239 -6.043 -9.649 1.00 0.00 C ATOM 1700 NE ARG A 111 7.694 -7.282 -9.091 1.00 0.00 N ATOM 1701 CZ ARG A 111 7.579 -8.426 -9.772 1.00 0.00 C ATOM 1702 NH1 ARG A 111 7.971 -8.502 -11.043 1.00 0.00 N ATOM 1703 NH2 ARG A 111 7.069 -9.501 -9.180 1.00 0.00 N ATOM 0 H ARG A 111 11.282 -4.501 -6.433 1.00 0.00 H new ATOM 0 HA ARG A 111 10.625 -7.071 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 111 9.628 -4.819 -8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.051 -4.540 -8.994 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.074 -5.638 -10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.100 -7.109 -9.736 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.931 -5.201 -9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.820 -5.878 -10.642 1.00 0.00 H new ATOM 0 HE ARG A 111 7.382 -7.271 -8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.363 -7.682 -11.506 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.879 -9.380 -11.554 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.766 -9.452 -8.207 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.981 -10.375 -9.698 1.00 0.00 H new ATOM 1717 N GLN A 112 13.513 -5.893 -8.447 1.00 0.00 N ATOM 1718 CA GLN A 112 14.761 -6.273 -9.111 1.00 0.00 C ATOM 1719 C GLN A 112 15.479 -7.385 -8.344 1.00 0.00 C ATOM 1720 O GLN A 112 15.930 -8.367 -8.937 1.00 0.00 O ATOM 1721 CB GLN A 112 15.687 -5.061 -9.253 1.00 0.00 C ATOM 1722 CG GLN A 112 15.476 -4.276 -10.540 1.00 0.00 C ATOM 1723 CD GLN A 112 16.751 -3.627 -11.045 1.00 0.00 C ATOM 1724 OE1 GLN A 112 17.451 -4.182 -11.892 1.00 0.00 O ATOM 1725 NE2 GLN A 112 17.064 -2.444 -10.525 1.00 0.00 N ATOM 0 H GLN A 112 13.516 -4.953 -8.052 1.00 0.00 H new ATOM 0 HA GLN A 112 14.506 -6.646 -10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.533 -4.396 -8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 112 16.722 -5.399 -9.210 1.00 0.00 H new ATOM 0 HG2 GLN A 112 15.084 -4.943 -11.308 1.00 0.00 H new ATOM 0 HG3 GLN A 112 14.723 -3.506 -10.372 1.00 0.00 H new ATOM 0 HE21 GLN A 112 16.457 -2.018 -9.825 1.00 0.00 H new ATOM 0 HE22 GLN A 112 17.911 -1.963 -10.826 1.00 0.00 H new ATOM 1734 N LYS A 113 15.590 -7.220 -7.024 1.00 0.00 N ATOM 1735 CA LYS A 113 16.261 -8.207 -6.178 1.00 0.00 C ATOM 1736 C LYS A 113 15.468 -9.513 -6.100 1.00 0.00 C ATOM 1737 O LYS A 113 16.037 -10.596 -6.248 1.00 0.00 O ATOM 1738 CB LYS A 113 16.484 -7.644 -4.771 1.00 0.00 C ATOM 1739 CG LYS A 113 17.842 -6.983 -4.591 1.00 0.00 C ATOM 1740 CD LYS A 113 18.902 -7.989 -4.171 1.00 0.00 C ATOM 1741 CE LYS A 113 20.306 -7.423 -4.326 1.00 0.00 C ATOM 1742 NZ LYS A 113 21.317 -8.489 -4.581 1.00 0.00 N ATOM 0 H LYS A 113 15.224 -6.413 -6.519 1.00 0.00 H new ATOM 0 HA LYS A 113 17.227 -8.426 -6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.703 -6.917 -4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 113 16.382 -8.451 -4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 113 18.142 -6.506 -5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 113 17.768 -6.196 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 113 18.739 -8.278 -3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 113 18.805 -8.893 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 113 20.319 -6.708 -5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 113 20.577 -6.876 -3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 22.258 -8.058 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.324 -9.158 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.074 -8.995 -5.456 1.00 0.00 H new ATOM 1756 N ILE A 114 14.156 -9.407 -5.865 1.00 0.00 N ATOM 1757 CA ILE A 114 13.293 -10.582 -5.766 1.00 0.00 C ATOM 1758 C ILE A 114 13.349 -11.426 -7.044 1.00 0.00 C ATOM 1759 O ILE A 114 13.396 -12.656 -6.978 1.00 0.00 O ATOM 1760 CB ILE A 114 11.826 -10.191 -5.451 1.00 0.00 C ATOM 1761 CG1 ILE A 114 11.042 -11.407 -4.955 1.00 0.00 C ATOM 1762 CG2 ILE A 114 11.141 -9.574 -6.665 1.00 0.00 C ATOM 1763 CD1 ILE A 114 10.627 -11.305 -3.502 1.00 0.00 C ATOM 0 H ILE A 114 13.671 -8.518 -5.740 1.00 0.00 H new ATOM 0 HA ILE A 114 13.671 -11.181 -4.938 1.00 0.00 H new ATOM 0 HB ILE A 114 11.845 -9.440 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 114 10.152 -11.532 -5.571 1.00 0.00 H new ATOM 0 HG13 ILE A 114 11.650 -12.301 -5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.114 -9.312 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 114 11.680 -8.677 -6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 114 11.138 -10.292 -7.485 1.00 0.00 H new ATOM 0 HD11 ILE A 114 10.075 -12.201 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 114 11.514 -11.211 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 114 9.992 -10.429 -3.365 1.00 0.00 H new ATOM 1775 N GLU A 115 13.359 -10.761 -8.203 1.00 0.00 N ATOM 1776 CA GLU A 115 13.424 -11.460 -9.488 1.00 0.00 C ATOM 1777 C GLU A 115 14.795 -12.106 -9.686 1.00 0.00 C ATOM 1778 O GLU A 115 14.897 -13.197 -10.251 1.00 0.00 O ATOM 1779 CB GLU A 115 13.125 -10.502 -10.645 1.00 0.00 C ATOM 1780 CG GLU A 115 11.852 -10.850 -11.403 1.00 0.00 C ATOM 1781 CD GLU A 115 11.886 -10.411 -12.855 1.00 0.00 C ATOM 1782 OE1 GLU A 115 12.768 -10.885 -13.602 1.00 0.00 O ATOM 1783 OE2 GLU A 115 11.023 -9.595 -13.246 1.00 0.00 O ATOM 0 H GLU A 115 13.323 -9.744 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 115 12.667 -12.244 -9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 115 13.041 -9.488 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 115 13.966 -10.508 -11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.693 -11.927 -11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 115 11.002 -10.382 -10.908 1.00 0.00 H new TER 1790 GLU A 115