USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 653 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 55 ASN : amide:sc= -0.451 X(o=-1.1,f=-0.66) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.657 USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0259) USER MOD Single : A 5 MET CE :methyl -167:sc= 0 (180deg=-0.189) USER MOD Single : A 11 TYR OH : rot 110:sc= -0.334 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -117:sc= -0.505 (180deg=-1.78!) USER MOD Single : A 34 ASN : amide:sc= -0.474 K(o=-0.47,f=-5.5!) USER MOD Single : A 39 SER OG : rot -110:sc= -0.249 USER MOD Single : A 41 THR OG1 : rot 174:sc= -2.84! USER MOD Single : A 48 MET CE :methyl -144:sc= -1.25 (180deg=-2.13) USER MOD Single : A 49 GLN : amide:sc= -0.983 K(o=-0.98,f=-4.8!) USER MOD Single : A 52 SER OG : rot 128:sc= 1.94 USER MOD Single : A 59 GLN : amide:sc= -5.44 K(o=-5.4,f=-12!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-2.9!) USER MOD Single : A 70 CYS SG : rot 27:sc= 1.15 USER MOD Single : A 74 TYR OH : rot 171:sc= -0.635 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -68:sc= 1.24 USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0381) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 5 -1.498 8.837 -2.195 1.00 0.00 N ATOM 41 CA MET A 5 -2.493 9.866 -2.477 1.00 0.00 C ATOM 42 C MET A 5 -3.608 9.316 -3.360 1.00 0.00 C ATOM 43 O MET A 5 -3.374 8.455 -4.208 1.00 0.00 O ATOM 44 CB MET A 5 -1.835 11.069 -3.155 1.00 0.00 C ATOM 45 CG MET A 5 -2.757 12.271 -3.287 1.00 0.00 C ATOM 46 SD MET A 5 -1.861 13.836 -3.295 1.00 0.00 S ATOM 47 CE MET A 5 -2.454 14.558 -4.823 1.00 0.00 C ATOM 0 HA MET A 5 -2.928 10.185 -1.530 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.952 11.359 -2.585 1.00 0.00 H new ATOM 0 HB3 MET A 5 -1.491 10.774 -4.147 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.334 12.182 -4.208 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.470 12.269 -2.463 1.00 0.00 H new ATOM 0 HE1 MET A 5 -1.830 15.412 -5.088 1.00 0.00 H new ATOM 0 HE2 MET A 5 -2.409 13.814 -5.619 1.00 0.00 H new ATOM 0 HE3 MET A 5 -3.485 14.888 -4.693 1.00 0.00 H new ATOM 57 N VAL A 6 -4.821 9.819 -3.156 1.00 0.00 N ATOM 58 CA VAL A 6 -5.973 9.378 -3.934 1.00 0.00 C ATOM 59 C VAL A 6 -6.466 10.484 -4.860 1.00 0.00 C ATOM 60 O VAL A 6 -6.171 11.661 -4.650 1.00 0.00 O ATOM 61 CB VAL A 6 -7.131 8.933 -3.021 1.00 0.00 C ATOM 62 CG1 VAL A 6 -6.741 7.695 -2.228 1.00 0.00 C ATOM 63 CG2 VAL A 6 -7.540 10.065 -2.091 1.00 0.00 C ATOM 0 H VAL A 6 -5.032 10.533 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.645 8.527 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.987 8.679 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.572 7.396 -1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.501 6.883 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.870 7.917 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.359 9.734 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.690 10.352 -1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.864 10.922 -2.682 1.00 0.00 H new ATOM 73 N ASP A 7 -7.219 10.099 -5.885 1.00 0.00 N ATOM 74 CA ASP A 7 -7.755 11.058 -6.843 1.00 0.00 C ATOM 75 C ASP A 7 -8.836 11.922 -6.200 1.00 0.00 C ATOM 76 O ASP A 7 -9.907 11.430 -5.842 1.00 0.00 O ATOM 77 CB ASP A 7 -8.324 10.330 -8.062 1.00 0.00 C ATOM 78 CG ASP A 7 -7.243 9.881 -9.025 1.00 0.00 C ATOM 79 OD1 ASP A 7 -6.645 8.810 -8.788 1.00 0.00 O ATOM 80 OD2 ASP A 7 -6.995 10.600 -10.015 1.00 0.00 O ATOM 0 H ASP A 7 -7.472 9.129 -6.073 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.940 11.707 -7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.894 9.462 -7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.020 10.988 -8.583 1.00 0.00 H new ATOM 85 N VAL A 8 -8.548 13.211 -6.055 1.00 0.00 N ATOM 86 CA VAL A 8 -9.496 14.143 -5.456 1.00 0.00 C ATOM 87 C VAL A 8 -10.079 15.084 -6.504 1.00 0.00 C ATOM 88 O VAL A 8 -9.344 15.722 -7.258 1.00 0.00 O ATOM 89 CB VAL A 8 -8.834 14.979 -4.344 1.00 0.00 C ATOM 90 CG1 VAL A 8 -9.834 15.952 -3.739 1.00 0.00 C ATOM 91 CG2 VAL A 8 -8.247 14.070 -3.273 1.00 0.00 C ATOM 0 H VAL A 8 -7.666 13.634 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.298 13.544 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.022 15.558 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.348 16.533 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.202 16.624 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.670 15.397 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.783 14.677 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.040 13.464 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.497 13.418 -3.720 1.00 0.00 H new ATOM 101 N ILE A 9 -11.405 15.167 -6.544 1.00 0.00 N ATOM 102 CA ILE A 9 -12.087 16.032 -7.499 1.00 0.00 C ATOM 103 C ILE A 9 -13.007 17.017 -6.788 1.00 0.00 C ATOM 104 O ILE A 9 -13.762 16.641 -5.891 1.00 0.00 O ATOM 105 CB ILE A 9 -12.912 15.214 -8.510 1.00 0.00 C ATOM 106 CG1 ILE A 9 -12.077 14.059 -9.068 1.00 0.00 C ATOM 107 CG2 ILE A 9 -13.408 16.108 -9.636 1.00 0.00 C ATOM 108 CD1 ILE A 9 -12.820 13.206 -10.071 1.00 0.00 C ATOM 0 H ILE A 9 -12.028 14.646 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.314 16.583 -8.035 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.778 14.796 -7.996 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.182 14.464 -9.540 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.745 13.429 -8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.989 15.515 -10.342 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.035 16.899 -9.224 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.556 16.552 -10.150 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.167 12.408 -10.424 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.701 12.772 -9.598 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.128 13.823 -10.915 1.00 0.00 H new ATOM 120 N ILE A 10 -12.940 18.281 -7.195 1.00 0.00 N ATOM 121 CA ILE A 10 -13.770 19.320 -6.598 1.00 0.00 C ATOM 122 C ILE A 10 -14.622 20.016 -7.654 1.00 0.00 C ATOM 123 O ILE A 10 -14.138 20.351 -8.735 1.00 0.00 O ATOM 124 CB ILE A 10 -12.916 20.373 -5.868 1.00 0.00 C ATOM 125 CG1 ILE A 10 -13.814 21.399 -5.175 1.00 0.00 C ATOM 126 CG2 ILE A 10 -11.973 21.060 -6.845 1.00 0.00 C ATOM 127 CD1 ILE A 10 -13.133 22.127 -4.037 1.00 0.00 C ATOM 0 H ILE A 10 -12.320 18.610 -7.935 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.421 18.828 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.318 19.870 -5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.154 22.128 -5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.701 20.894 -4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.376 21.802 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.313 20.319 -7.296 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.553 21.552 -7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.829 22.839 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.818 21.407 -3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.261 22.660 -4.416 1.00 0.00 H new ATOM 139 N TYR A 11 -15.893 20.233 -7.332 1.00 0.00 N ATOM 140 CA TYR A 11 -16.813 20.889 -8.253 1.00 0.00 C ATOM 141 C TYR A 11 -17.262 22.240 -7.703 1.00 0.00 C ATOM 142 O TYR A 11 -17.898 22.316 -6.651 1.00 0.00 O ATOM 143 CB TYR A 11 -18.031 20.000 -8.509 1.00 0.00 C ATOM 144 CG TYR A 11 -17.943 19.208 -9.794 1.00 0.00 C ATOM 145 CD1 TYR A 11 -16.962 18.240 -9.970 1.00 0.00 C ATOM 146 CD2 TYR A 11 -18.839 19.428 -10.833 1.00 0.00 C ATOM 147 CE1 TYR A 11 -16.876 17.514 -11.143 1.00 0.00 C ATOM 148 CE2 TYR A 11 -18.762 18.707 -12.008 1.00 0.00 C ATOM 149 CZ TYR A 11 -17.779 17.751 -12.158 1.00 0.00 C ATOM 150 OH TYR A 11 -17.698 17.031 -13.328 1.00 0.00 O ATOM 0 H TYR A 11 -16.309 19.964 -6.440 1.00 0.00 H new ATOM 0 HA TYR A 11 -16.289 21.056 -9.194 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -18.148 19.310 -7.674 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.925 20.622 -8.536 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -16.254 18.052 -9.176 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -19.609 20.176 -10.719 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -16.107 16.766 -11.264 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -19.467 18.890 -12.805 1.00 0.00 H new ATOM 0 HH TYR A 11 -18.459 16.416 -13.387 1.00 0.00 H new ATOM 160 N THR A 12 -16.928 23.305 -8.424 1.00 0.00 N ATOM 161 CA THR A 12 -17.295 24.654 -8.011 1.00 0.00 C ATOM 162 C THR A 12 -17.762 25.485 -9.200 1.00 0.00 C ATOM 163 O THR A 12 -17.648 25.060 -10.350 1.00 0.00 O ATOM 164 CB THR A 12 -16.116 25.373 -7.328 1.00 0.00 C ATOM 165 OG1 THR A 12 -15.159 25.785 -8.310 1.00 0.00 O ATOM 166 CG2 THR A 12 -15.445 24.464 -6.309 1.00 0.00 C ATOM 0 H THR A 12 -16.404 23.260 -9.298 1.00 0.00 H new ATOM 0 HA THR A 12 -18.113 24.554 -7.297 1.00 0.00 H new ATOM 0 HB THR A 12 -16.505 26.249 -6.809 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.413 26.243 -7.868 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.616 24.993 -5.840 1.00 0.00 H new ATOM 0 HG22 THR A 12 -16.169 24.175 -5.547 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.069 23.571 -6.809 1.00 0.00 H new ATOM 174 N ARG A 13 -18.287 26.672 -8.917 1.00 0.00 N ATOM 175 CA ARG A 13 -18.772 27.563 -9.964 1.00 0.00 C ATOM 176 C ARG A 13 -18.032 28.897 -9.929 1.00 0.00 C ATOM 177 O ARG A 13 -17.505 29.316 -8.898 1.00 0.00 O ATOM 178 CB ARG A 13 -20.276 27.798 -9.807 1.00 0.00 C ATOM 179 CG ARG A 13 -20.625 28.819 -8.736 1.00 0.00 C ATOM 180 CD ARG A 13 -20.853 30.198 -9.334 1.00 0.00 C ATOM 181 NE ARG A 13 -22.184 30.714 -9.026 1.00 0.00 N ATOM 182 CZ ARG A 13 -23.275 30.389 -9.711 1.00 0.00 C ATOM 183 NH1 ARG A 13 -23.194 29.553 -10.736 1.00 0.00 N ATOM 184 NH2 ARG A 13 -24.451 30.900 -9.369 1.00 0.00 N ATOM 0 H ARG A 13 -18.388 27.039 -7.971 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.584 27.088 -10.927 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -20.685 28.131 -10.761 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.760 26.851 -9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -21.521 28.499 -8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -19.820 28.868 -8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -20.100 30.888 -8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -20.724 30.150 -10.415 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.281 31.359 -8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -22.292 29.157 -11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.033 29.306 -11.260 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -24.518 31.543 -8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -25.288 30.650 -9.895 1.00 0.00 H new ATOM 198 N PRO A 14 -17.990 29.581 -11.082 1.00 0.00 N ATOM 199 CA PRO A 14 -17.317 30.877 -11.209 1.00 0.00 C ATOM 200 C PRO A 14 -18.051 31.987 -10.464 1.00 0.00 C ATOM 201 O PRO A 14 -18.703 32.833 -11.074 1.00 0.00 O ATOM 202 CB PRO A 14 -17.338 31.142 -12.717 1.00 0.00 C ATOM 203 CG PRO A 14 -18.505 30.365 -13.221 1.00 0.00 C ATOM 204 CD PRO A 14 -18.597 29.143 -12.350 1.00 0.00 C ATOM 0 HA PRO A 14 -16.316 30.859 -10.779 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -17.448 32.205 -12.931 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.411 30.816 -13.189 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.420 30.954 -13.164 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.368 30.089 -14.267 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -19.630 28.825 -12.212 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.059 28.300 -12.783 1.00 0.00 H new ATOM 212 N GLY A 15 -17.939 31.978 -9.139 1.00 0.00 N ATOM 213 CA GLY A 15 -18.597 32.990 -8.332 1.00 0.00 C ATOM 214 C GLY A 15 -19.298 32.402 -7.123 1.00 0.00 C ATOM 215 O GLY A 15 -20.519 32.495 -6.998 1.00 0.00 O ATOM 0 H GLY A 15 -17.405 31.289 -8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.860 33.722 -8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.323 33.524 -8.945 1.00 0.00 H new ATOM 219 N CYS A 16 -18.525 31.792 -6.231 1.00 0.00 N ATOM 220 CA CYS A 16 -19.078 31.184 -5.028 1.00 0.00 C ATOM 221 C CYS A 16 -18.108 31.314 -3.857 1.00 0.00 C ATOM 222 O CYS A 16 -16.957 30.880 -3.921 1.00 0.00 O ATOM 223 CB CYS A 16 -19.398 29.708 -5.277 1.00 0.00 C ATOM 224 SG CYS A 16 -18.011 28.754 -5.972 1.00 0.00 S ATOM 0 H CYS A 16 -17.512 31.706 -6.319 1.00 0.00 H new ATOM 0 HA CYS A 16 -19.998 31.711 -4.776 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.705 29.250 -4.337 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -20.248 29.641 -5.956 1.00 0.00 H new ATOM 229 N PRO A 17 -18.581 31.926 -2.761 1.00 0.00 N ATOM 230 CA PRO A 17 -17.773 32.127 -1.555 1.00 0.00 C ATOM 231 C PRO A 17 -17.490 30.820 -0.822 1.00 0.00 C ATOM 232 O PRO A 17 -16.361 30.563 -0.404 1.00 0.00 O ATOM 233 CB PRO A 17 -18.643 33.045 -0.694 1.00 0.00 C ATOM 234 CG PRO A 17 -20.038 32.781 -1.148 1.00 0.00 C ATOM 235 CD PRO A 17 -19.943 32.468 -2.615 1.00 0.00 C ATOM 0 HA PRO A 17 -16.792 32.541 -1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.523 32.823 0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -18.373 34.092 -0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.476 31.948 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.676 33.648 -0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -20.698 31.744 -2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.089 33.359 -3.226 1.00 0.00 H new ATOM 243 N TYR A 18 -18.521 29.997 -0.671 1.00 0.00 N ATOM 244 CA TYR A 18 -18.384 28.717 0.014 1.00 0.00 C ATOM 245 C TYR A 18 -17.231 27.907 -0.573 1.00 0.00 C ATOM 246 O TYR A 18 -16.526 27.198 0.146 1.00 0.00 O ATOM 247 CB TYR A 18 -19.685 27.919 -0.086 1.00 0.00 C ATOM 248 CG TYR A 18 -20.884 28.643 0.483 1.00 0.00 C ATOM 249 CD1 TYR A 18 -21.168 28.596 1.842 1.00 0.00 C ATOM 250 CD2 TYR A 18 -21.733 29.374 -0.339 1.00 0.00 C ATOM 251 CE1 TYR A 18 -22.263 29.256 2.366 1.00 0.00 C ATOM 252 CE2 TYR A 18 -22.829 30.038 0.176 1.00 0.00 C ATOM 253 CZ TYR A 18 -23.091 29.975 1.529 1.00 0.00 C ATOM 254 OH TYR A 18 -24.182 30.635 2.047 1.00 0.00 O ATOM 0 H TYR A 18 -19.461 30.193 -1.014 1.00 0.00 H new ATOM 0 HA TYR A 18 -18.168 28.916 1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -19.877 27.682 -1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -19.561 26.971 0.438 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -20.522 28.034 2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.532 29.424 -1.399 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.470 29.209 3.425 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -23.477 30.603 -0.477 1.00 0.00 H new ATOM 0 HH TYR A 18 -24.660 31.094 1.325 1.00 0.00 H new ATOM 264 N CYS A 19 -17.045 28.018 -1.884 1.00 0.00 N ATOM 265 CA CYS A 19 -15.979 27.298 -2.569 1.00 0.00 C ATOM 266 C CYS A 19 -14.614 27.880 -2.216 1.00 0.00 C ATOM 267 O CYS A 19 -13.687 27.150 -1.868 1.00 0.00 O ATOM 268 CB CYS A 19 -16.192 27.350 -4.084 1.00 0.00 C ATOM 269 SG CYS A 19 -17.922 27.108 -4.600 1.00 0.00 S ATOM 0 H CYS A 19 -17.619 28.600 -2.493 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.007 26.259 -2.240 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.844 28.314 -4.456 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.574 26.585 -4.554 1.00 0.00 H new ATOM 274 N ALA A 20 -14.499 29.201 -2.307 1.00 0.00 N ATOM 275 CA ALA A 20 -13.249 29.883 -1.994 1.00 0.00 C ATOM 276 C ALA A 20 -12.691 29.419 -0.653 1.00 0.00 C ATOM 277 O ALA A 20 -11.492 29.176 -0.520 1.00 0.00 O ATOM 278 CB ALA A 20 -13.457 31.390 -1.989 1.00 0.00 C ATOM 0 H ALA A 20 -15.257 29.820 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.523 29.630 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.516 31.886 -1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.802 31.713 -2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.203 31.652 -1.238 1.00 0.00 H new ATOM 284 N ARG A 21 -13.569 29.297 0.337 1.00 0.00 N ATOM 285 CA ARG A 21 -13.163 28.864 1.669 1.00 0.00 C ATOM 286 C ARG A 21 -12.721 27.404 1.654 1.00 0.00 C ATOM 287 O ARG A 21 -11.685 27.053 2.218 1.00 0.00 O ATOM 288 CB ARG A 21 -14.312 29.051 2.662 1.00 0.00 C ATOM 289 CG ARG A 21 -14.242 30.357 3.436 1.00 0.00 C ATOM 290 CD ARG A 21 -15.157 31.412 2.832 1.00 0.00 C ATOM 291 NE ARG A 21 -14.656 32.765 3.059 1.00 0.00 N ATOM 292 CZ ARG A 21 -13.581 33.261 2.458 1.00 0.00 C ATOM 293 NH1 ARG A 21 -12.897 32.519 1.597 1.00 0.00 N ATOM 294 NH2 ARG A 21 -13.187 34.501 2.716 1.00 0.00 N ATOM 0 H ARG A 21 -14.566 29.492 0.242 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.319 29.478 1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.258 29.009 2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.310 28.220 3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.523 30.181 4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.216 30.724 3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.255 31.237 1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.154 31.317 3.263 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.160 33.362 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.197 31.565 1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.072 32.902 1.137 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.710 35.075 3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.361 34.880 2.253 1.00 0.00 H new ATOM 308 N ALA A 22 -13.515 26.557 1.006 1.00 0.00 N ATOM 309 CA ALA A 22 -13.205 25.136 0.917 1.00 0.00 C ATOM 310 C ALA A 22 -11.858 24.909 0.240 1.00 0.00 C ATOM 311 O ALA A 22 -10.965 24.278 0.805 1.00 0.00 O ATOM 312 CB ALA A 22 -14.307 24.402 0.167 1.00 0.00 C ATOM 0 H ALA A 22 -14.377 26.831 0.535 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.143 24.738 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.063 23.341 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.252 24.528 0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.396 24.810 -0.840 1.00 0.00 H new ATOM 318 N LYS A 23 -11.718 25.426 -0.976 1.00 0.00 N ATOM 319 CA LYS A 23 -10.480 25.281 -1.732 1.00 0.00 C ATOM 320 C LYS A 23 -9.299 25.854 -0.956 1.00 0.00 C ATOM 321 O LYS A 23 -8.258 25.211 -0.827 1.00 0.00 O ATOM 322 CB LYS A 23 -10.601 25.980 -3.088 1.00 0.00 C ATOM 323 CG LYS A 23 -11.875 25.634 -3.840 1.00 0.00 C ATOM 324 CD LYS A 23 -11.602 25.384 -5.313 1.00 0.00 C ATOM 325 CE LYS A 23 -11.011 26.613 -5.987 1.00 0.00 C ATOM 326 NZ LYS A 23 -11.751 26.976 -7.227 1.00 0.00 N ATOM 0 H LYS A 23 -12.448 25.950 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.304 24.217 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.560 27.059 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.742 25.712 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.330 24.748 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.593 26.447 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.916 24.544 -5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.529 25.104 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.032 27.453 -5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.965 26.426 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.138 27.548 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.034 26.110 -7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.599 27.524 -6.977 1.00 0.00 H new ATOM 340 N ALA A 24 -9.468 27.068 -0.441 1.00 0.00 N ATOM 341 CA ALA A 24 -8.417 27.725 0.325 1.00 0.00 C ATOM 342 C ALA A 24 -7.931 26.838 1.466 1.00 0.00 C ATOM 343 O ALA A 24 -6.728 26.713 1.700 1.00 0.00 O ATOM 344 CB ALA A 24 -8.913 29.058 0.866 1.00 0.00 C ATOM 0 H ALA A 24 -10.323 27.616 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.575 27.906 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.118 29.538 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.204 29.702 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.773 28.890 1.514 1.00 0.00 H new ATOM 350 N LEU A 25 -8.873 26.223 2.173 1.00 0.00 N ATOM 351 CA LEU A 25 -8.541 25.347 3.291 1.00 0.00 C ATOM 352 C LEU A 25 -7.777 24.117 2.810 1.00 0.00 C ATOM 353 O LEU A 25 -6.728 23.772 3.356 1.00 0.00 O ATOM 354 CB LEU A 25 -9.813 24.917 4.024 1.00 0.00 C ATOM 355 CG LEU A 25 -9.613 24.024 5.249 1.00 0.00 C ATOM 356 CD1 LEU A 25 -8.855 24.771 6.335 1.00 0.00 C ATOM 357 CD2 LEU A 25 -10.954 23.531 5.774 1.00 0.00 C ATOM 0 H LEU A 25 -9.873 26.315 1.992 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.904 25.903 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.349 25.813 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.455 24.392 3.317 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.022 23.158 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.722 24.120 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.879 25.074 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.420 25.655 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.793 22.897 6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.571 24.385 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.460 22.958 4.997 1.00 0.00 H new ATOM 369 N LEU A 26 -8.309 23.460 1.785 1.00 0.00 N ATOM 370 CA LEU A 26 -7.676 22.269 1.228 1.00 0.00 C ATOM 371 C LEU A 26 -6.282 22.590 0.699 1.00 0.00 C ATOM 372 O LEU A 26 -5.379 21.757 0.756 1.00 0.00 O ATOM 373 CB LEU A 26 -8.538 21.687 0.107 1.00 0.00 C ATOM 374 CG LEU A 26 -9.528 20.597 0.519 1.00 0.00 C ATOM 375 CD1 LEU A 26 -10.355 20.148 -0.675 1.00 0.00 C ATOM 376 CD2 LEU A 26 -8.794 19.415 1.136 1.00 0.00 C ATOM 0 H LEU A 26 -9.177 23.732 1.323 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.581 21.532 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.096 22.501 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.877 21.279 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.203 21.011 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.054 19.372 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.910 20.997 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.695 19.752 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.514 18.649 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.095 19.001 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.246 19.747 2.018 1.00 0.00 H new ATOM 388 N ALA A 27 -6.115 23.805 0.186 1.00 0.00 N ATOM 389 CA ALA A 27 -4.830 24.237 -0.350 1.00 0.00 C ATOM 390 C ALA A 27 -3.831 24.508 0.770 1.00 0.00 C ATOM 391 O ALA A 27 -2.620 24.408 0.572 1.00 0.00 O ATOM 392 CB ALA A 27 -5.009 25.479 -1.212 1.00 0.00 C ATOM 0 H ALA A 27 -6.853 24.507 0.130 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.433 23.432 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.042 25.791 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.682 25.254 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.431 26.283 -0.609 1.00 0.00 H new ATOM 398 N ARG A 28 -4.346 24.852 1.946 1.00 0.00 N ATOM 399 CA ARG A 28 -3.499 25.139 3.097 1.00 0.00 C ATOM 400 C ARG A 28 -2.695 23.906 3.501 1.00 0.00 C ATOM 401 O ARG A 28 -1.483 23.980 3.701 1.00 0.00 O ATOM 402 CB ARG A 28 -4.348 25.616 4.276 1.00 0.00 C ATOM 403 CG ARG A 28 -3.563 26.403 5.313 1.00 0.00 C ATOM 404 CD ARG A 28 -4.487 27.156 6.257 1.00 0.00 C ATOM 405 NE ARG A 28 -3.752 28.065 7.132 1.00 0.00 N ATOM 406 CZ ARG A 28 -4.339 28.920 7.963 1.00 0.00 C ATOM 407 NH1 ARG A 28 -5.661 28.982 8.031 1.00 0.00 N ATOM 408 NH2 ARG A 28 -3.602 29.715 8.728 1.00 0.00 N ATOM 0 H ARG A 28 -5.346 24.939 2.126 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.803 25.930 2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.161 26.237 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.804 24.751 4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.931 25.724 5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.900 27.108 4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.216 27.722 5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.046 26.443 6.863 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.733 28.043 7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.231 28.372 7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.109 29.639 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.584 29.670 8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.053 30.371 9.366 1.00 0.00 H new ATOM 422 N LYS A 29 -3.379 22.773 3.619 1.00 0.00 N ATOM 423 CA LYS A 29 -2.731 21.523 3.998 1.00 0.00 C ATOM 424 C LYS A 29 -1.786 21.045 2.900 1.00 0.00 C ATOM 425 O LYS A 29 -0.924 20.200 3.134 1.00 0.00 O ATOM 426 CB LYS A 29 -3.780 20.448 4.287 1.00 0.00 C ATOM 427 CG LYS A 29 -4.776 20.250 3.158 1.00 0.00 C ATOM 428 CD LYS A 29 -5.794 19.173 3.494 1.00 0.00 C ATOM 429 CE LYS A 29 -6.588 19.527 4.741 1.00 0.00 C ATOM 430 NZ LYS A 29 -5.946 18.998 5.976 1.00 0.00 N ATOM 0 H LYS A 29 -4.383 22.695 3.457 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.148 21.704 4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.274 19.503 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.321 20.715 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.292 21.189 2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.244 19.977 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.475 19.040 2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.283 18.222 3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.682 20.610 4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.597 19.124 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.580 18.309 6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.049 18.533 5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.760 19.782 6.634 1.00 0.00 H new ATOM 444 N GLY A 30 -1.955 21.594 1.701 1.00 0.00 N ATOM 445 CA GLY A 30 -1.109 21.211 0.585 1.00 0.00 C ATOM 446 C GLY A 30 -1.689 20.061 -0.214 1.00 0.00 C ATOM 447 O GLY A 30 -0.970 19.378 -0.942 1.00 0.00 O ATOM 0 H GLY A 30 -2.662 22.296 1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.967 22.070 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.125 20.930 0.959 1.00 0.00 H new ATOM 451 N ALA A 31 -2.993 19.845 -0.077 1.00 0.00 N ATOM 452 CA ALA A 31 -3.669 18.770 -0.792 1.00 0.00 C ATOM 453 C ALA A 31 -4.140 19.236 -2.166 1.00 0.00 C ATOM 454 O ALA A 31 -4.996 20.113 -2.273 1.00 0.00 O ATOM 455 CB ALA A 31 -4.844 18.251 0.023 1.00 0.00 C ATOM 0 H ALA A 31 -3.603 20.401 0.523 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.956 17.959 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.340 17.448 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.484 17.871 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.552 19.061 0.198 1.00 0.00 H new ATOM 461 N GLU A 32 -3.575 18.642 -3.213 1.00 0.00 N ATOM 462 CA GLU A 32 -3.938 18.999 -4.580 1.00 0.00 C ATOM 463 C GLU A 32 -5.250 18.335 -4.985 1.00 0.00 C ATOM 464 O GLU A 32 -5.549 17.217 -4.564 1.00 0.00 O ATOM 465 CB GLU A 32 -2.826 18.591 -5.549 1.00 0.00 C ATOM 466 CG GLU A 32 -1.763 19.660 -5.741 1.00 0.00 C ATOM 467 CD GLU A 32 -2.325 20.945 -6.317 1.00 0.00 C ATOM 468 OE1 GLU A 32 -3.040 20.873 -7.338 1.00 0.00 O ATOM 469 OE2 GLU A 32 -2.051 22.021 -5.747 1.00 0.00 O ATOM 0 H GLU A 32 -2.865 17.913 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.070 20.080 -4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.352 17.681 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.268 18.352 -6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.290 19.873 -4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.985 19.279 -6.403 1.00 0.00 H new ATOM 476 N PHE A 33 -6.030 19.031 -5.805 1.00 0.00 N ATOM 477 CA PHE A 33 -7.312 18.511 -6.267 1.00 0.00 C ATOM 478 C PHE A 33 -7.675 19.091 -7.631 1.00 0.00 C ATOM 479 O PHE A 33 -7.369 20.245 -7.928 1.00 0.00 O ATOM 480 CB PHE A 33 -8.412 18.833 -5.254 1.00 0.00 C ATOM 481 CG PHE A 33 -8.462 20.282 -4.863 1.00 0.00 C ATOM 482 CD1 PHE A 33 -8.989 21.229 -5.727 1.00 0.00 C ATOM 483 CD2 PHE A 33 -7.979 20.699 -3.633 1.00 0.00 C ATOM 484 CE1 PHE A 33 -9.037 22.563 -5.370 1.00 0.00 C ATOM 485 CE2 PHE A 33 -8.024 22.032 -3.271 1.00 0.00 C ATOM 486 CZ PHE A 33 -8.552 22.965 -4.141 1.00 0.00 C ATOM 0 H PHE A 33 -5.797 19.957 -6.164 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.223 17.429 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.376 18.545 -5.673 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.259 18.229 -4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.367 20.921 -6.691 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.563 19.974 -2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.453 23.290 -6.051 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.646 22.344 -2.308 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.586 24.008 -3.861 1.00 0.00 H new ATOM 496 N ASN A 34 -8.329 18.281 -8.457 1.00 0.00 N ATOM 497 CA ASN A 34 -8.734 18.712 -9.790 1.00 0.00 C ATOM 498 C ASN A 34 -9.946 19.635 -9.718 1.00 0.00 C ATOM 499 O ASN A 34 -11.012 19.240 -9.249 1.00 0.00 O ATOM 500 CB ASN A 34 -9.053 17.499 -10.666 1.00 0.00 C ATOM 501 CG ASN A 34 -9.297 17.880 -12.114 1.00 0.00 C ATOM 502 OD1 ASN A 34 -9.439 19.058 -12.442 1.00 0.00 O ATOM 503 ND2 ASN A 34 -9.348 16.882 -12.987 1.00 0.00 N ATOM 0 H ASN A 34 -8.590 17.322 -8.227 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.905 19.264 -10.234 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.227 16.789 -10.614 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.934 16.992 -10.273 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.510 17.076 -13.975 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.225 15.920 -12.670 1.00 0.00 H new ATOM 510 N GLU A 35 -9.774 20.867 -10.188 1.00 0.00 N ATOM 511 CA GLU A 35 -10.854 21.846 -10.177 1.00 0.00 C ATOM 512 C GLU A 35 -11.730 21.704 -11.419 1.00 0.00 C ATOM 513 O GLU A 35 -11.248 21.811 -12.547 1.00 0.00 O ATOM 514 CB GLU A 35 -10.286 23.265 -10.100 1.00 0.00 C ATOM 515 CG GLU A 35 -11.353 24.346 -10.051 1.00 0.00 C ATOM 516 CD GLU A 35 -10.824 25.706 -10.462 1.00 0.00 C ATOM 517 OE1 GLU A 35 -9.592 25.844 -10.613 1.00 0.00 O ATOM 518 OE2 GLU A 35 -11.643 26.634 -10.632 1.00 0.00 O ATOM 0 H GLU A 35 -8.897 21.210 -10.581 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.469 21.660 -9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.656 23.348 -9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.645 23.438 -10.964 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.178 24.067 -10.707 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.757 24.407 -9.040 1.00 0.00 H new ATOM 525 N ILE A 36 -13.019 21.462 -11.202 1.00 0.00 N ATOM 526 CA ILE A 36 -13.962 21.306 -12.303 1.00 0.00 C ATOM 527 C ILE A 36 -15.179 22.204 -12.115 1.00 0.00 C ATOM 528 O ILE A 36 -15.640 22.417 -10.993 1.00 0.00 O ATOM 529 CB ILE A 36 -14.431 19.845 -12.439 1.00 0.00 C ATOM 530 CG1 ILE A 36 -13.234 18.922 -12.671 1.00 0.00 C ATOM 531 CG2 ILE A 36 -15.436 19.716 -13.574 1.00 0.00 C ATOM 532 CD1 ILE A 36 -13.615 17.466 -12.824 1.00 0.00 C ATOM 0 H ILE A 36 -13.434 21.370 -10.275 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.437 21.596 -13.213 1.00 0.00 H new ATOM 0 HB ILE A 36 -14.920 19.547 -11.511 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.703 19.246 -13.566 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.541 19.022 -11.836 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.758 18.678 -13.658 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -16.299 20.349 -13.369 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.971 20.028 -14.509 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.717 16.870 -12.986 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -14.119 17.125 -11.920 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.284 17.353 -13.677 1.00 0.00 H new ATOM 544 N ASP A 37 -15.697 22.728 -13.221 1.00 0.00 N ATOM 545 CA ASP A 37 -16.864 23.602 -13.179 1.00 0.00 C ATOM 546 C ASP A 37 -18.151 22.786 -13.090 1.00 0.00 C ATOM 547 O ASP A 37 -18.233 21.679 -13.621 1.00 0.00 O ATOM 548 CB ASP A 37 -16.900 24.500 -14.416 1.00 0.00 C ATOM 549 CG ASP A 37 -15.845 25.589 -14.371 1.00 0.00 C ATOM 550 OD1 ASP A 37 -15.426 25.963 -13.255 1.00 0.00 O ATOM 551 OD2 ASP A 37 -15.439 26.066 -15.451 1.00 0.00 O ATOM 0 H ASP A 37 -15.327 22.563 -14.157 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.788 24.226 -12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.752 23.891 -15.308 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.886 24.957 -14.502 1.00 0.00 H new ATOM 556 N ALA A 38 -19.151 23.341 -12.414 1.00 0.00 N ATOM 557 CA ALA A 38 -20.434 22.666 -12.257 1.00 0.00 C ATOM 558 C ALA A 38 -21.546 23.428 -12.969 1.00 0.00 C ATOM 559 O ALA A 38 -22.420 22.828 -13.595 1.00 0.00 O ATOM 560 CB ALA A 38 -20.766 22.501 -10.781 1.00 0.00 C ATOM 0 H ALA A 38 -19.098 24.256 -11.966 1.00 0.00 H new ATOM 0 HA ALA A 38 -20.356 21.679 -12.713 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.726 21.996 -10.678 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -19.990 21.907 -10.298 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -20.820 23.482 -10.308 1.00 0.00 H new ATOM 566 N SER A 39 -21.508 24.753 -12.870 1.00 0.00 N ATOM 567 CA SER A 39 -22.516 25.597 -13.501 1.00 0.00 C ATOM 568 C SER A 39 -22.224 25.770 -14.989 1.00 0.00 C ATOM 569 O SER A 39 -23.081 26.216 -15.752 1.00 0.00 O ATOM 570 CB SER A 39 -22.568 26.964 -12.817 1.00 0.00 C ATOM 571 OG SER A 39 -23.219 26.881 -11.561 1.00 0.00 O ATOM 0 H SER A 39 -20.790 25.265 -12.359 1.00 0.00 H new ATOM 0 HA SER A 39 -23.484 25.108 -13.393 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.556 27.345 -12.681 1.00 0.00 H new ATOM 0 HB3 SER A 39 -23.093 27.674 -13.456 1.00 0.00 H new ATOM 0 HG SER A 39 -24.085 27.336 -11.611 1.00 0.00 H new ATOM 577 N ALA A 40 -21.009 25.415 -15.393 1.00 0.00 N ATOM 578 CA ALA A 40 -20.604 25.530 -16.788 1.00 0.00 C ATOM 579 C ALA A 40 -21.618 24.862 -17.711 1.00 0.00 C ATOM 580 O ALA A 40 -21.823 25.297 -18.845 1.00 0.00 O ATOM 581 CB ALA A 40 -19.224 24.920 -16.989 1.00 0.00 C ATOM 0 H ALA A 40 -20.288 25.045 -14.774 1.00 0.00 H new ATOM 0 HA ALA A 40 -20.562 26.589 -17.042 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.934 25.013 -18.036 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -18.500 25.443 -16.364 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.248 23.866 -16.711 1.00 0.00 H new ATOM 587 N THR A 41 -22.252 23.802 -17.218 1.00 0.00 N ATOM 588 CA THR A 41 -23.244 23.073 -17.998 1.00 0.00 C ATOM 589 C THR A 41 -24.449 22.698 -17.143 1.00 0.00 C ATOM 590 O THR A 41 -24.378 22.652 -15.915 1.00 0.00 O ATOM 591 CB THR A 41 -22.646 21.793 -18.613 1.00 0.00 C ATOM 592 OG1 THR A 41 -21.590 21.299 -17.782 1.00 0.00 O ATOM 593 CG2 THR A 41 -22.113 22.063 -20.012 1.00 0.00 C ATOM 0 H THR A 41 -22.096 23.430 -16.281 1.00 0.00 H new ATOM 0 HA THR A 41 -23.565 23.737 -18.801 1.00 0.00 H new ATOM 0 HB THR A 41 -23.436 21.045 -18.681 1.00 0.00 H new ATOM 0 HG1 THR A 41 -21.280 20.435 -18.126 1.00 0.00 H new ATOM 0 HG21 THR A 41 -21.696 21.145 -20.426 1.00 0.00 H new ATOM 0 HG22 THR A 41 -22.925 22.412 -20.650 1.00 0.00 H new ATOM 0 HG23 THR A 41 -21.336 22.826 -19.964 1.00 0.00 H new ATOM 601 N PRO A 42 -25.582 22.421 -17.805 1.00 0.00 N ATOM 602 CA PRO A 42 -26.824 22.043 -17.125 1.00 0.00 C ATOM 603 C PRO A 42 -26.740 20.658 -16.493 1.00 0.00 C ATOM 604 O PRO A 42 -27.250 20.436 -15.395 1.00 0.00 O ATOM 605 CB PRO A 42 -27.862 22.056 -18.250 1.00 0.00 C ATOM 606 CG PRO A 42 -27.078 21.811 -19.492 1.00 0.00 C ATOM 607 CD PRO A 42 -25.738 22.456 -19.269 1.00 0.00 C ATOM 0 HA PRO A 42 -27.060 22.717 -16.301 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -28.618 21.285 -18.100 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -28.386 23.011 -18.294 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -26.970 20.743 -19.681 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -27.578 22.240 -20.360 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.940 21.909 -19.771 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -25.715 23.476 -19.651 1.00 0.00 H new ATOM 615 N GLU A 43 -26.093 19.731 -17.192 1.00 0.00 N ATOM 616 CA GLU A 43 -25.944 18.368 -16.697 1.00 0.00 C ATOM 617 C GLU A 43 -25.000 18.325 -15.498 1.00 0.00 C ATOM 618 O GLU A 43 -25.324 17.746 -14.460 1.00 0.00 O ATOM 619 CB GLU A 43 -25.418 17.454 -17.806 1.00 0.00 C ATOM 620 CG GLU A 43 -26.223 17.534 -19.093 1.00 0.00 C ATOM 621 CD GLU A 43 -25.801 16.492 -20.111 1.00 0.00 C ATOM 622 OE1 GLU A 43 -25.192 15.480 -19.707 1.00 0.00 O ATOM 623 OE2 GLU A 43 -26.081 16.689 -21.312 1.00 0.00 O ATOM 0 H GLU A 43 -25.664 19.899 -18.102 1.00 0.00 H new ATOM 0 HA GLU A 43 -26.925 18.015 -16.379 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -24.381 17.715 -18.019 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -25.421 16.424 -17.449 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.281 17.405 -18.864 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -26.109 18.527 -19.527 1.00 0.00 H new ATOM 630 N LEU A 44 -23.833 18.940 -15.649 1.00 0.00 N ATOM 631 CA LEU A 44 -22.841 18.972 -14.580 1.00 0.00 C ATOM 632 C LEU A 44 -23.420 19.604 -13.319 1.00 0.00 C ATOM 633 O LEU A 44 -23.063 19.227 -12.203 1.00 0.00 O ATOM 634 CB LEU A 44 -21.602 19.747 -15.030 1.00 0.00 C ATOM 635 CG LEU A 44 -20.638 18.998 -15.951 1.00 0.00 C ATOM 636 CD1 LEU A 44 -19.472 19.890 -16.344 1.00 0.00 C ATOM 637 CD2 LEU A 44 -20.138 17.727 -15.279 1.00 0.00 C ATOM 0 H LEU A 44 -23.550 19.424 -16.501 1.00 0.00 H new ATOM 0 HA LEU A 44 -22.556 17.945 -14.352 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -21.930 20.653 -15.540 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.053 20.062 -14.142 1.00 0.00 H new ATOM 0 HG LEU A 44 -21.175 18.719 -16.857 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.797 19.339 -16.999 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.847 20.770 -16.866 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.934 20.201 -15.449 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.453 17.207 -15.949 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -19.618 17.984 -14.356 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -20.984 17.079 -15.050 1.00 0.00 H new ATOM 649 N ARG A 45 -24.318 20.566 -13.504 1.00 0.00 N ATOM 650 CA ARG A 45 -24.948 21.250 -12.381 1.00 0.00 C ATOM 651 C ARG A 45 -26.149 20.461 -11.869 1.00 0.00 C ATOM 652 O ARG A 45 -26.531 20.579 -10.705 1.00 0.00 O ATOM 653 CB ARG A 45 -25.387 22.656 -12.795 1.00 0.00 C ATOM 654 CG ARG A 45 -25.397 23.653 -11.647 1.00 0.00 C ATOM 655 CD ARG A 45 -26.067 24.958 -12.048 1.00 0.00 C ATOM 656 NE ARG A 45 -27.441 24.751 -12.498 1.00 0.00 N ATOM 657 CZ ARG A 45 -28.245 25.737 -12.882 1.00 0.00 C ATOM 658 NH1 ARG A 45 -27.814 26.991 -12.871 1.00 0.00 N ATOM 659 NH2 ARG A 45 -29.483 25.469 -13.278 1.00 0.00 N ATOM 0 H ARG A 45 -24.626 20.889 -14.421 1.00 0.00 H new ATOM 0 HA ARG A 45 -24.216 21.327 -11.577 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -24.720 23.021 -13.576 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -26.386 22.603 -13.228 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -25.920 23.222 -10.794 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -24.374 23.851 -11.327 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -26.062 25.643 -11.201 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -25.492 25.431 -12.844 1.00 0.00 H new ATOM 0 HE ARG A 45 -27.803 23.798 -12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -26.863 27.201 -12.567 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -28.433 27.746 -13.166 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -29.818 24.506 -13.288 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -30.099 26.226 -13.573 1.00 0.00 H new ATOM 673 N ALA A 46 -26.740 19.656 -12.746 1.00 0.00 N ATOM 674 CA ALA A 46 -27.896 18.847 -12.381 1.00 0.00 C ATOM 675 C ALA A 46 -27.484 17.654 -11.526 1.00 0.00 C ATOM 676 O ALA A 46 -28.066 17.405 -10.471 1.00 0.00 O ATOM 677 CB ALA A 46 -28.625 18.375 -13.631 1.00 0.00 C ATOM 0 H ALA A 46 -26.437 19.547 -13.714 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.571 19.468 -11.791 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.486 17.772 -13.344 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -28.962 19.239 -14.204 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -27.950 17.776 -14.242 1.00 0.00 H new ATOM 683 N GLU A 47 -26.477 16.919 -11.988 1.00 0.00 N ATOM 684 CA GLU A 47 -25.988 15.751 -11.265 1.00 0.00 C ATOM 685 C GLU A 47 -25.407 16.153 -9.912 1.00 0.00 C ATOM 686 O GLU A 47 -25.620 15.476 -8.907 1.00 0.00 O ATOM 687 CB GLU A 47 -24.929 15.019 -12.090 1.00 0.00 C ATOM 688 CG GLU A 47 -23.728 15.881 -12.443 1.00 0.00 C ATOM 689 CD GLU A 47 -23.065 15.456 -13.739 1.00 0.00 C ATOM 690 OE1 GLU A 47 -23.790 15.029 -14.663 1.00 0.00 O ATOM 691 OE2 GLU A 47 -21.824 15.549 -13.830 1.00 0.00 O ATOM 0 H GLU A 47 -25.984 17.112 -12.860 1.00 0.00 H new ATOM 0 HA GLU A 47 -26.831 15.082 -11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -24.588 14.146 -11.534 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -25.386 14.653 -13.010 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -24.044 16.921 -12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -23.000 15.832 -11.634 1.00 0.00 H new ATOM 698 N MET A 48 -24.671 17.260 -9.897 1.00 0.00 N ATOM 699 CA MET A 48 -24.058 17.753 -8.668 1.00 0.00 C ATOM 700 C MET A 48 -25.123 18.213 -7.677 1.00 0.00 C ATOM 701 O MET A 48 -25.146 17.771 -6.529 1.00 0.00 O ATOM 702 CB MET A 48 -23.100 18.904 -8.977 1.00 0.00 C ATOM 703 CG MET A 48 -21.831 18.465 -9.690 1.00 0.00 C ATOM 704 SD MET A 48 -20.787 17.413 -8.663 1.00 0.00 S ATOM 705 CE MET A 48 -21.239 15.790 -9.272 1.00 0.00 C ATOM 0 H MET A 48 -24.485 17.832 -10.721 1.00 0.00 H new ATOM 0 HA MET A 48 -23.497 16.935 -8.217 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.617 19.640 -9.593 1.00 0.00 H new ATOM 0 HB3 MET A 48 -22.830 19.401 -8.045 1.00 0.00 H new ATOM 0 HG2 MET A 48 -22.097 17.928 -10.600 1.00 0.00 H new ATOM 0 HG3 MET A 48 -21.266 19.346 -9.993 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.240 15.079 -8.446 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.234 15.832 -9.716 1.00 0.00 H new ATOM 0 HE3 MET A 48 -20.519 15.470 -10.025 1.00 0.00 H new ATOM 715 N GLN A 49 -26.001 19.103 -8.130 1.00 0.00 N ATOM 716 CA GLN A 49 -27.066 19.623 -7.281 1.00 0.00 C ATOM 717 C GLN A 49 -28.046 18.519 -6.899 1.00 0.00 C ATOM 718 O GLN A 49 -28.796 18.650 -5.932 1.00 0.00 O ATOM 719 CB GLN A 49 -27.808 20.755 -7.994 1.00 0.00 C ATOM 720 CG GLN A 49 -28.873 20.269 -8.963 1.00 0.00 C ATOM 721 CD GLN A 49 -29.500 21.398 -9.757 1.00 0.00 C ATOM 722 OE1 GLN A 49 -29.680 21.294 -10.970 1.00 0.00 O ATOM 723 NE2 GLN A 49 -29.836 22.486 -9.074 1.00 0.00 N ATOM 0 H GLN A 49 -25.996 19.478 -9.079 1.00 0.00 H new ATOM 0 HA GLN A 49 -26.612 20.012 -6.370 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -28.274 21.399 -7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -27.087 21.366 -8.537 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -28.431 19.548 -9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -29.651 19.744 -8.408 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -29.669 22.529 -8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -30.262 23.279 -9.555 1.00 0.00 H new ATOM 732 N GLU A 50 -28.033 17.432 -7.664 1.00 0.00 N ATOM 733 CA GLU A 50 -28.922 16.306 -7.405 1.00 0.00 C ATOM 734 C GLU A 50 -28.484 15.542 -6.159 1.00 0.00 C ATOM 735 O GLU A 50 -29.276 14.825 -5.548 1.00 0.00 O ATOM 736 CB GLU A 50 -28.952 15.363 -8.611 1.00 0.00 C ATOM 737 CG GLU A 50 -29.692 14.063 -8.348 1.00 0.00 C ATOM 738 CD GLU A 50 -29.693 13.139 -9.550 1.00 0.00 C ATOM 739 OE1 GLU A 50 -30.423 13.431 -10.521 1.00 0.00 O ATOM 740 OE2 GLU A 50 -28.966 12.125 -9.521 1.00 0.00 O ATOM 0 H GLU A 50 -27.417 17.307 -8.467 1.00 0.00 H new ATOM 0 HA GLU A 50 -29.924 16.699 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -29.422 15.875 -9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -27.929 15.135 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -29.232 13.552 -7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -30.721 14.286 -8.065 1.00 0.00 H new ATOM 747 N ARG A 51 -27.217 15.701 -5.790 1.00 0.00 N ATOM 748 CA ARG A 51 -26.672 15.026 -4.618 1.00 0.00 C ATOM 749 C ARG A 51 -26.789 15.908 -3.379 1.00 0.00 C ATOM 750 O ARG A 51 -27.027 15.417 -2.275 1.00 0.00 O ATOM 751 CB ARG A 51 -25.208 14.651 -4.854 1.00 0.00 C ATOM 752 CG ARG A 51 -25.000 13.731 -6.046 1.00 0.00 C ATOM 753 CD ARG A 51 -23.523 13.461 -6.290 1.00 0.00 C ATOM 754 NE ARG A 51 -23.179 12.059 -6.066 1.00 0.00 N ATOM 755 CZ ARG A 51 -23.552 11.073 -6.875 1.00 0.00 C ATOM 756 NH1 ARG A 51 -24.276 11.334 -7.954 1.00 0.00 N ATOM 757 NH2 ARG A 51 -23.199 9.822 -6.604 1.00 0.00 N ATOM 0 H ARG A 51 -26.549 16.291 -6.286 1.00 0.00 H new ATOM 0 HA ARG A 51 -27.250 14.117 -4.452 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -24.628 15.562 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -24.817 14.167 -3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -25.520 12.788 -5.875 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -25.441 14.181 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -23.268 13.738 -7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -22.926 14.091 -5.631 1.00 0.00 H new ATOM 0 HE ARG A 51 -22.622 11.824 -5.244 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -24.548 12.294 -8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -24.561 10.575 -8.573 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -22.641 9.618 -5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -23.485 9.065 -7.225 1.00 0.00 H new ATOM 771 N SER A 52 -26.620 17.212 -3.569 1.00 0.00 N ATOM 772 CA SER A 52 -26.702 18.163 -2.466 1.00 0.00 C ATOM 773 C SER A 52 -28.156 18.467 -2.118 1.00 0.00 C ATOM 774 O SER A 52 -28.502 18.646 -0.951 1.00 0.00 O ATOM 775 CB SER A 52 -25.970 19.457 -2.825 1.00 0.00 C ATOM 776 OG SER A 52 -25.450 20.087 -1.667 1.00 0.00 O ATOM 0 H SER A 52 -26.425 17.635 -4.477 1.00 0.00 H new ATOM 0 HA SER A 52 -26.225 17.714 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 52 -25.159 19.239 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 52 -26.653 20.135 -3.336 1.00 0.00 H new ATOM 0 HG SER A 52 -24.496 20.271 -1.795 1.00 0.00 H new ATOM 782 N GLY A 53 -29.004 18.522 -3.141 1.00 0.00 N ATOM 783 CA GLY A 53 -30.410 18.805 -2.923 1.00 0.00 C ATOM 784 C GLY A 53 -30.704 20.292 -2.882 1.00 0.00 C ATOM 785 O GLY A 53 -31.834 20.701 -2.617 1.00 0.00 O ATOM 0 H GLY A 53 -28.742 18.376 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -30.997 18.344 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -30.728 18.349 -1.985 1.00 0.00 H new ATOM 789 N ARG A 54 -29.683 21.102 -3.142 1.00 0.00 N ATOM 790 CA ARG A 54 -29.836 22.552 -3.131 1.00 0.00 C ATOM 791 C ARG A 54 -29.441 23.151 -4.477 1.00 0.00 C ATOM 792 O ARG A 54 -28.991 22.441 -5.375 1.00 0.00 O ATOM 793 CB ARG A 54 -28.986 23.167 -2.017 1.00 0.00 C ATOM 794 CG ARG A 54 -29.229 22.545 -0.652 1.00 0.00 C ATOM 795 CD ARG A 54 -28.274 23.103 0.392 1.00 0.00 C ATOM 796 NE ARG A 54 -28.619 24.469 0.774 1.00 0.00 N ATOM 797 CZ ARG A 54 -27.920 25.187 1.647 1.00 0.00 C ATOM 798 NH1 ARG A 54 -26.844 24.671 2.224 1.00 0.00 N ATOM 799 NH2 ARG A 54 -28.297 26.424 1.943 1.00 0.00 N ATOM 0 H ARG A 54 -28.741 20.779 -3.363 1.00 0.00 H new ATOM 0 HA ARG A 54 -30.886 22.780 -2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -27.932 23.059 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -29.193 24.236 -1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -30.257 22.733 -0.343 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -29.108 21.464 -0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -28.289 22.465 1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -27.257 23.082 0.001 1.00 0.00 H new ATOM 0 HE ARG A 54 -29.441 24.896 0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -26.551 23.721 1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -26.309 25.224 2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -29.124 26.825 1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -27.760 26.974 2.613 1.00 0.00 H new ATOM 813 N ASN A 55 -29.612 24.462 -4.609 1.00 0.00 N ATOM 814 CA ASN A 55 -29.274 25.157 -5.846 1.00 0.00 C ATOM 815 C ASN A 55 -27.911 24.711 -6.365 1.00 0.00 C ATOM 816 O ASN A 55 -27.819 23.960 -7.337 1.00 0.00 O ATOM 817 CB ASN A 55 -29.277 26.671 -5.622 1.00 0.00 C ATOM 818 CG ASN A 55 -28.574 27.421 -6.736 1.00 0.00 C ATOM 819 OD1 ASN A 55 -29.086 27.522 -7.851 1.00 0.00 O ATOM 820 ND2 ASN A 55 -27.393 27.951 -6.439 1.00 0.00 N ATOM 0 H ASN A 55 -29.983 25.065 -3.875 1.00 0.00 H new ATOM 0 HA ASN A 55 -30.027 24.906 -6.593 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -30.306 27.022 -5.544 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -28.791 26.896 -4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -26.872 28.467 -7.149 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -27.007 27.843 -5.501 1.00 0.00 H new ATOM 827 N THR A 56 -26.852 25.177 -5.710 1.00 0.00 N ATOM 828 CA THR A 56 -25.494 24.827 -6.105 1.00 0.00 C ATOM 829 C THR A 56 -24.519 25.013 -4.948 1.00 0.00 C ATOM 830 O THR A 56 -24.537 26.038 -4.266 1.00 0.00 O ATOM 831 CB THR A 56 -25.020 25.676 -7.301 1.00 0.00 C ATOM 832 OG1 THR A 56 -26.137 26.028 -8.125 1.00 0.00 O ATOM 833 CG2 THR A 56 -23.992 24.919 -8.128 1.00 0.00 C ATOM 0 H THR A 56 -26.909 25.798 -4.903 1.00 0.00 H new ATOM 0 HA THR A 56 -25.511 23.777 -6.397 1.00 0.00 H new ATOM 0 HB THR A 56 -24.555 26.582 -6.913 1.00 0.00 H new ATOM 0 HG1 THR A 56 -25.828 26.569 -8.882 1.00 0.00 H new ATOM 0 HG21 THR A 56 -23.672 25.538 -8.966 1.00 0.00 H new ATOM 0 HG22 THR A 56 -23.130 24.678 -7.505 1.00 0.00 H new ATOM 0 HG23 THR A 56 -24.436 23.998 -8.506 1.00 0.00 H new ATOM 841 N PHE A 57 -23.669 24.015 -4.731 1.00 0.00 N ATOM 842 CA PHE A 57 -22.687 24.068 -3.654 1.00 0.00 C ATOM 843 C PHE A 57 -21.395 23.367 -4.062 1.00 0.00 C ATOM 844 O PHE A 57 -21.359 22.575 -5.004 1.00 0.00 O ATOM 845 CB PHE A 57 -23.252 23.424 -2.387 1.00 0.00 C ATOM 846 CG PHE A 57 -22.792 22.009 -2.178 1.00 0.00 C ATOM 847 CD1 PHE A 57 -23.110 21.021 -3.095 1.00 0.00 C ATOM 848 CD2 PHE A 57 -22.043 21.668 -1.063 1.00 0.00 C ATOM 849 CE1 PHE A 57 -22.689 19.718 -2.906 1.00 0.00 C ATOM 850 CE2 PHE A 57 -21.619 20.367 -0.869 1.00 0.00 C ATOM 851 CZ PHE A 57 -21.943 19.391 -1.790 1.00 0.00 C ATOM 0 H PHE A 57 -23.640 23.160 -5.286 1.00 0.00 H new ATOM 0 HA PHE A 57 -22.463 25.115 -3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -22.962 24.023 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -24.341 23.440 -2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -23.694 21.272 -3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -21.788 22.427 -0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.943 18.957 -3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -21.034 20.114 0.003 1.00 0.00 H new ATOM 0 HZ PHE A 57 -21.614 18.374 -1.638 1.00 0.00 H new ATOM 861 N PRO A 58 -20.306 23.664 -3.337 1.00 0.00 N ATOM 862 CA PRO A 58 -18.991 23.073 -3.604 1.00 0.00 C ATOM 863 C PRO A 58 -18.940 21.590 -3.254 1.00 0.00 C ATOM 864 O PRO A 58 -19.140 21.209 -2.101 1.00 0.00 O ATOM 865 CB PRO A 58 -18.053 23.870 -2.695 1.00 0.00 C ATOM 866 CG PRO A 58 -18.923 24.359 -1.588 1.00 0.00 C ATOM 867 CD PRO A 58 -20.275 24.599 -2.200 1.00 0.00 C ATOM 0 HA PRO A 58 -18.728 23.124 -4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.244 23.246 -2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.592 24.699 -3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.983 23.624 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.523 25.275 -1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -21.078 24.397 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -20.391 25.633 -2.526 1.00 0.00 H new ATOM 875 N GLN A 59 -18.670 20.759 -4.255 1.00 0.00 N ATOM 876 CA GLN A 59 -18.594 19.317 -4.051 1.00 0.00 C ATOM 877 C GLN A 59 -17.152 18.876 -3.820 1.00 0.00 C ATOM 878 O GLN A 59 -16.251 19.249 -4.572 1.00 0.00 O ATOM 879 CB GLN A 59 -19.178 18.579 -5.256 1.00 0.00 C ATOM 880 CG GLN A 59 -20.538 17.955 -4.987 1.00 0.00 C ATOM 881 CD GLN A 59 -21.660 18.659 -5.726 1.00 0.00 C ATOM 882 OE1 GLN A 59 -22.578 18.019 -6.239 1.00 0.00 O ATOM 883 NE2 GLN A 59 -21.591 19.984 -5.783 1.00 0.00 N ATOM 0 H GLN A 59 -18.500 21.059 -5.215 1.00 0.00 H new ATOM 0 HA GLN A 59 -19.178 19.069 -3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.266 19.275 -6.090 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -18.484 17.797 -5.564 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -20.517 16.906 -5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -20.740 17.982 -3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.812 20.473 -5.343 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -22.317 20.512 -6.266 1.00 0.00 H new ATOM 892 N ILE A 60 -16.942 18.082 -2.776 1.00 0.00 N ATOM 893 CA ILE A 60 -15.610 17.590 -2.447 1.00 0.00 C ATOM 894 C ILE A 60 -15.537 16.072 -2.573 1.00 0.00 C ATOM 895 O ILE A 60 -16.048 15.342 -1.723 1.00 0.00 O ATOM 896 CB ILE A 60 -15.197 17.995 -1.019 1.00 0.00 C ATOM 897 CG1 ILE A 60 -15.349 19.506 -0.831 1.00 0.00 C ATOM 898 CG2 ILE A 60 -13.766 17.562 -0.739 1.00 0.00 C ATOM 899 CD1 ILE A 60 -14.554 20.322 -1.825 1.00 0.00 C ATOM 0 H ILE A 60 -17.677 17.766 -2.143 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.922 18.045 -3.159 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.853 17.491 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.403 19.770 -0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.035 19.772 0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.489 17.855 0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.688 16.479 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.095 18.041 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.710 21.383 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -13.495 20.087 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -14.884 20.085 -2.837 1.00 0.00 H new ATOM 911 N PHE A 61 -14.898 15.602 -3.639 1.00 0.00 N ATOM 912 CA PHE A 61 -14.757 14.171 -3.877 1.00 0.00 C ATOM 913 C PHE A 61 -13.379 13.680 -3.442 1.00 0.00 C ATOM 914 O PHE A 61 -12.363 14.053 -4.028 1.00 0.00 O ATOM 915 CB PHE A 61 -14.980 13.854 -5.358 1.00 0.00 C ATOM 916 CG PHE A 61 -16.336 14.259 -5.860 1.00 0.00 C ATOM 917 CD1 PHE A 61 -17.471 13.572 -5.460 1.00 0.00 C ATOM 918 CD2 PHE A 61 -16.476 15.327 -6.731 1.00 0.00 C ATOM 919 CE1 PHE A 61 -18.720 13.943 -5.922 1.00 0.00 C ATOM 920 CE2 PHE A 61 -17.723 15.703 -7.195 1.00 0.00 C ATOM 921 CZ PHE A 61 -18.846 15.010 -6.789 1.00 0.00 C ATOM 0 H PHE A 61 -14.469 16.192 -4.352 1.00 0.00 H new ATOM 0 HA PHE A 61 -15.511 13.654 -3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -14.217 14.360 -5.949 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -14.848 12.784 -5.516 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -17.379 12.738 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -15.601 15.872 -7.051 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -19.597 13.398 -5.605 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -17.818 16.537 -7.874 1.00 0.00 H new ATOM 0 HZ PHE A 61 -19.821 15.302 -7.149 1.00 0.00 H new ATOM 931 N ILE A 62 -13.355 12.842 -2.411 1.00 0.00 N ATOM 932 CA ILE A 62 -12.103 12.300 -1.898 1.00 0.00 C ATOM 933 C ILE A 62 -12.035 10.790 -2.099 1.00 0.00 C ATOM 934 O ILE A 62 -12.853 10.044 -1.562 1.00 0.00 O ATOM 935 CB ILE A 62 -11.924 12.616 -0.401 1.00 0.00 C ATOM 936 CG1 ILE A 62 -11.850 14.128 -0.182 1.00 0.00 C ATOM 937 CG2 ILE A 62 -10.675 11.936 0.138 1.00 0.00 C ATOM 938 CD1 ILE A 62 -11.638 14.520 1.263 1.00 0.00 C ATOM 0 H ILE A 62 -14.188 12.524 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.299 12.776 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.787 12.231 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.037 14.535 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.772 14.585 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.562 12.169 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.765 10.857 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.802 12.294 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.596 15.606 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.464 14.144 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.702 14.093 1.622 1.00 0.00 H new ATOM 950 N GLY A 63 -11.051 10.345 -2.875 1.00 0.00 N ATOM 951 CA GLY A 63 -10.893 8.925 -3.131 1.00 0.00 C ATOM 952 C GLY A 63 -12.060 8.341 -3.901 1.00 0.00 C ATOM 953 O GLY A 63 -12.218 8.600 -5.094 1.00 0.00 O ATOM 0 H GLY A 63 -10.361 10.942 -3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.973 8.760 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.787 8.398 -2.183 1.00 0.00 H new ATOM 957 N SER A 64 -12.881 7.550 -3.218 1.00 0.00 N ATOM 958 CA SER A 64 -14.038 6.923 -3.847 1.00 0.00 C ATOM 959 C SER A 64 -15.328 7.334 -3.143 1.00 0.00 C ATOM 960 O SER A 64 -16.395 6.776 -3.402 1.00 0.00 O ATOM 961 CB SER A 64 -13.894 5.400 -3.824 1.00 0.00 C ATOM 962 OG SER A 64 -13.079 4.949 -4.892 1.00 0.00 O ATOM 0 H SER A 64 -12.767 7.328 -2.229 1.00 0.00 H new ATOM 0 HA SER A 64 -14.086 7.261 -4.882 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.461 5.087 -2.874 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.879 4.937 -3.893 1.00 0.00 H new ATOM 0 HG SER A 64 -13.001 3.973 -4.854 1.00 0.00 H new ATOM 968 N VAL A 65 -15.222 8.313 -2.251 1.00 0.00 N ATOM 969 CA VAL A 65 -16.379 8.801 -1.510 1.00 0.00 C ATOM 970 C VAL A 65 -16.569 10.300 -1.712 1.00 0.00 C ATOM 971 O VAL A 65 -15.607 11.032 -1.950 1.00 0.00 O ATOM 972 CB VAL A 65 -16.244 8.510 -0.004 1.00 0.00 C ATOM 973 CG1 VAL A 65 -17.547 8.819 0.719 1.00 0.00 C ATOM 974 CG2 VAL A 65 -15.828 7.065 0.224 1.00 0.00 C ATOM 0 H VAL A 65 -14.346 8.784 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 65 -17.250 8.272 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.468 9.156 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -17.432 8.607 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -17.798 9.871 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -18.346 8.200 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -15.737 6.877 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -16.580 6.399 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -14.868 6.882 -0.259 1.00 0.00 H new ATOM 984 N HIS A 66 -17.815 10.752 -1.615 1.00 0.00 N ATOM 985 CA HIS A 66 -18.132 12.165 -1.785 1.00 0.00 C ATOM 986 C HIS A 66 -18.293 12.853 -0.433 1.00 0.00 C ATOM 987 O HIS A 66 -19.334 12.738 0.213 1.00 0.00 O ATOM 988 CB HIS A 66 -19.410 12.328 -2.609 1.00 0.00 C ATOM 989 CG HIS A 66 -19.906 13.740 -2.673 1.00 0.00 C ATOM 990 ND1 HIS A 66 -21.241 14.064 -2.787 1.00 0.00 N ATOM 991 CD2 HIS A 66 -19.236 14.916 -2.637 1.00 0.00 C ATOM 992 CE1 HIS A 66 -21.372 15.378 -2.820 1.00 0.00 C ATOM 993 NE2 HIS A 66 -20.170 15.918 -2.730 1.00 0.00 N ATOM 0 H HIS A 66 -18.622 10.160 -1.419 1.00 0.00 H new ATOM 0 HA HIS A 66 -17.304 12.636 -2.316 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -19.227 11.970 -3.622 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -20.190 11.697 -2.183 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -22.008 13.394 -2.838 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -18.167 15.042 -2.551 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -22.303 15.919 -2.906 1.00 0.00 H new ATOM 1001 N VAL A 67 -17.255 13.569 -0.011 1.00 0.00 N ATOM 1002 CA VAL A 67 -17.282 14.275 1.264 1.00 0.00 C ATOM 1003 C VAL A 67 -18.485 15.208 1.350 1.00 0.00 C ATOM 1004 O VAL A 67 -19.484 14.892 1.995 1.00 0.00 O ATOM 1005 CB VAL A 67 -15.995 15.094 1.479 1.00 0.00 C ATOM 1006 CG1 VAL A 67 -16.110 15.951 2.731 1.00 0.00 C ATOM 1007 CG2 VAL A 67 -14.787 14.174 1.563 1.00 0.00 C ATOM 0 H VAL A 67 -16.386 13.675 -0.534 1.00 0.00 H new ATOM 0 HA VAL A 67 -17.357 13.517 2.044 1.00 0.00 H new ATOM 0 HB VAL A 67 -15.860 15.757 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -15.192 16.522 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -16.951 16.636 2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.269 15.309 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.886 14.769 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.912 13.485 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.696 13.608 0.636 1.00 0.00 H new ATOM 1017 N GLY A 68 -18.382 16.361 0.695 1.00 0.00 N ATOM 1018 CA GLY A 68 -19.468 17.322 0.710 1.00 0.00 C ATOM 1019 C GLY A 68 -19.038 18.691 0.222 1.00 0.00 C ATOM 1020 O GLY A 68 -18.804 18.888 -0.970 1.00 0.00 O ATOM 0 H GLY A 68 -17.565 16.646 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -20.282 16.956 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -19.859 17.408 1.724 1.00 0.00 H new ATOM 1024 N GLY A 69 -18.933 19.642 1.145 1.00 0.00 N ATOM 1025 CA GLY A 69 -18.530 20.988 0.782 1.00 0.00 C ATOM 1026 C GLY A 69 -17.812 21.702 1.911 1.00 0.00 C ATOM 1027 O GLY A 69 -17.167 21.067 2.745 1.00 0.00 O ATOM 0 H GLY A 69 -19.120 19.504 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.878 20.946 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -19.410 21.563 0.494 1.00 0.00 H new ATOM 1031 N CYS A 70 -17.923 23.025 1.936 1.00 0.00 N ATOM 1032 CA CYS A 70 -17.277 23.827 2.969 1.00 0.00 C ATOM 1033 C CYS A 70 -17.626 23.306 4.359 1.00 0.00 C ATOM 1034 O CYS A 70 -16.754 23.162 5.216 1.00 0.00 O ATOM 1035 CB CYS A 70 -17.693 25.293 2.841 1.00 0.00 C ATOM 1036 SG CYS A 70 -17.036 26.364 4.141 1.00 0.00 S ATOM 0 H CYS A 70 -18.454 23.565 1.253 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.198 23.750 2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -17.362 25.670 1.873 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -18.781 25.353 2.852 1.00 0.00 H new ATOM 0 HG CYS A 70 -15.926 25.863 4.597 1.00 0.00 H new ATOM 1042 N ASP A 71 -18.906 23.027 4.576 1.00 0.00 N ATOM 1043 CA ASP A 71 -19.372 22.523 5.863 1.00 0.00 C ATOM 1044 C ASP A 71 -18.636 21.242 6.243 1.00 0.00 C ATOM 1045 O ASP A 71 -18.130 21.111 7.358 1.00 0.00 O ATOM 1046 CB ASP A 71 -20.879 22.267 5.820 1.00 0.00 C ATOM 1047 CG ASP A 71 -21.387 21.589 7.077 1.00 0.00 C ATOM 1048 OD1 ASP A 71 -21.594 22.293 8.088 1.00 0.00 O ATOM 1049 OD2 ASP A 71 -21.578 20.356 7.050 1.00 0.00 O ATOM 0 H ASP A 71 -19.640 23.141 3.877 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.162 23.279 6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.402 23.214 5.685 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.115 21.647 4.955 1.00 0.00 H new ATOM 1054 N ASP A 72 -18.581 20.298 5.309 1.00 0.00 N ATOM 1055 CA ASP A 72 -17.907 19.027 5.545 1.00 0.00 C ATOM 1056 C ASP A 72 -16.415 19.238 5.781 1.00 0.00 C ATOM 1057 O ASP A 72 -15.861 18.772 6.778 1.00 0.00 O ATOM 1058 CB ASP A 72 -18.121 18.084 4.360 1.00 0.00 C ATOM 1059 CG ASP A 72 -19.574 17.689 4.189 1.00 0.00 C ATOM 1060 OD1 ASP A 72 -20.417 18.592 3.999 1.00 0.00 O ATOM 1061 OD2 ASP A 72 -19.870 16.477 4.243 1.00 0.00 O ATOM 0 H ASP A 72 -18.995 20.390 4.381 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.337 18.577 6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -17.769 18.566 3.448 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -17.518 17.187 4.500 1.00 0.00 H new ATOM 1066 N LEU A 73 -15.769 19.941 4.858 1.00 0.00 N ATOM 1067 CA LEU A 73 -14.340 20.214 4.964 1.00 0.00 C ATOM 1068 C LEU A 73 -14.014 20.905 6.284 1.00 0.00 C ATOM 1069 O LEU A 73 -12.985 20.630 6.903 1.00 0.00 O ATOM 1070 CB LEU A 73 -13.878 21.082 3.793 1.00 0.00 C ATOM 1071 CG LEU A 73 -12.374 21.093 3.518 1.00 0.00 C ATOM 1072 CD1 LEU A 73 -11.954 19.821 2.798 1.00 0.00 C ATOM 1073 CD2 LEU A 73 -11.989 22.321 2.705 1.00 0.00 C ATOM 0 H LEU A 73 -16.212 20.333 4.027 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.810 19.262 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -14.389 20.743 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.201 22.107 3.977 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.850 21.136 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.881 19.847 2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.194 18.956 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.486 19.747 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.915 22.312 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.522 22.310 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.254 23.222 3.259 1.00 0.00 H new ATOM 1085 N TYR A 74 -14.898 21.800 6.711 1.00 0.00 N ATOM 1086 CA TYR A 74 -14.704 22.530 7.958 1.00 0.00 C ATOM 1087 C TYR A 74 -14.913 21.617 9.162 1.00 0.00 C ATOM 1088 O TYR A 74 -14.244 21.758 10.186 1.00 0.00 O ATOM 1089 CB TYR A 74 -15.664 23.719 8.032 1.00 0.00 C ATOM 1090 CG TYR A 74 -15.110 24.984 7.417 1.00 0.00 C ATOM 1091 CD1 TYR A 74 -14.441 24.954 6.200 1.00 0.00 C ATOM 1092 CD2 TYR A 74 -15.257 26.211 8.054 1.00 0.00 C ATOM 1093 CE1 TYR A 74 -13.933 26.107 5.636 1.00 0.00 C ATOM 1094 CE2 TYR A 74 -14.753 27.370 7.496 1.00 0.00 C ATOM 1095 CZ TYR A 74 -14.091 27.313 6.287 1.00 0.00 C ATOM 1096 OH TYR A 74 -13.588 28.465 5.727 1.00 0.00 O ATOM 0 H TYR A 74 -15.755 22.037 6.212 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.678 22.898 7.978 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -16.594 23.457 7.527 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -15.912 23.911 9.076 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -14.316 24.012 5.686 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -15.774 26.259 9.001 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.414 26.065 4.690 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -14.877 28.315 8.003 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.906 29.241 6.234 1.00 0.00 H new ATOM 1106 N ALA A 75 -15.847 20.681 9.031 1.00 0.00 N ATOM 1107 CA ALA A 75 -16.143 19.742 10.106 1.00 0.00 C ATOM 1108 C ALA A 75 -15.055 18.680 10.224 1.00 0.00 C ATOM 1109 O ALA A 75 -14.801 18.155 11.309 1.00 0.00 O ATOM 1110 CB ALA A 75 -17.498 19.089 9.878 1.00 0.00 C ATOM 0 H ALA A 75 -16.412 20.553 8.191 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.173 20.299 11.043 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.706 18.390 10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.272 19.856 9.853 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.488 18.552 8.929 1.00 0.00 H new ATOM 1116 N LEU A 76 -14.416 18.368 9.102 1.00 0.00 N ATOM 1117 CA LEU A 76 -13.355 17.367 9.079 1.00 0.00 C ATOM 1118 C LEU A 76 -12.046 17.950 9.604 1.00 0.00 C ATOM 1119 O LEU A 76 -11.393 17.358 10.462 1.00 0.00 O ATOM 1120 CB LEU A 76 -13.157 16.837 7.658 1.00 0.00 C ATOM 1121 CG LEU A 76 -14.078 15.692 7.235 1.00 0.00 C ATOM 1122 CD1 LEU A 76 -13.404 14.350 7.475 1.00 0.00 C ATOM 1123 CD2 LEU A 76 -15.401 15.768 7.982 1.00 0.00 C ATOM 0 H LEU A 76 -14.614 18.794 8.196 1.00 0.00 H new ATOM 0 HA LEU A 76 -13.652 16.544 9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.294 17.664 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.124 16.503 7.557 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.281 15.788 6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.074 13.547 7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.483 14.296 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.171 14.244 8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -16.044 14.945 7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.218 15.697 9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -15.891 16.716 7.760 1.00 0.00 H new ATOM 1135 N GLU A 77 -11.671 19.114 9.082 1.00 0.00 N ATOM 1136 CA GLU A 77 -10.441 19.776 9.500 1.00 0.00 C ATOM 1137 C GLU A 77 -10.425 19.991 11.010 1.00 0.00 C ATOM 1138 O GLU A 77 -9.365 19.985 11.637 1.00 0.00 O ATOM 1139 CB GLU A 77 -10.289 21.118 8.780 1.00 0.00 C ATOM 1140 CG GLU A 77 -11.097 22.241 9.410 1.00 0.00 C ATOM 1141 CD GLU A 77 -10.336 22.963 10.506 1.00 0.00 C ATOM 1142 OE1 GLU A 77 -9.167 23.333 10.270 1.00 0.00 O ATOM 1143 OE2 GLU A 77 -10.910 23.157 11.598 1.00 0.00 O ATOM 0 H GLU A 77 -12.201 19.617 8.370 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.603 19.132 9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.236 21.399 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.595 21.000 7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.381 22.956 8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.020 21.833 9.822 1.00 0.00 H new ATOM 1150 N ASP A 78 -11.606 20.182 11.588 1.00 0.00 N ATOM 1151 CA ASP A 78 -11.728 20.399 13.024 1.00 0.00 C ATOM 1152 C ASP A 78 -11.421 19.119 13.795 1.00 0.00 C ATOM 1153 O ASP A 78 -11.048 19.164 14.967 1.00 0.00 O ATOM 1154 CB ASP A 78 -13.135 20.892 13.369 1.00 0.00 C ATOM 1155 CG ASP A 78 -13.151 21.786 14.593 1.00 0.00 C ATOM 1156 OD1 ASP A 78 -13.288 21.254 15.715 1.00 0.00 O ATOM 1157 OD2 ASP A 78 -13.025 23.017 14.429 1.00 0.00 O ATOM 0 H ASP A 78 -12.492 20.191 11.083 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.003 21.160 13.315 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.544 21.438 12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.786 20.034 13.540 1.00 0.00 H new ATOM 1162 N GLU A 79 -11.582 17.980 13.129 1.00 0.00 N ATOM 1163 CA GLU A 79 -11.323 16.688 13.753 1.00 0.00 C ATOM 1164 C GLU A 79 -9.946 16.160 13.361 1.00 0.00 C ATOM 1165 O GLU A 79 -9.496 15.132 13.866 1.00 0.00 O ATOM 1166 CB GLU A 79 -12.401 15.678 13.354 1.00 0.00 C ATOM 1167 CG GLU A 79 -13.813 16.130 13.689 1.00 0.00 C ATOM 1168 CD GLU A 79 -14.635 15.037 14.344 1.00 0.00 C ATOM 1169 OE1 GLU A 79 -14.331 13.848 14.113 1.00 0.00 O ATOM 1170 OE2 GLU A 79 -15.582 15.370 15.086 1.00 0.00 O ATOM 0 H GLU A 79 -11.890 17.926 12.158 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.346 16.825 14.834 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.333 15.491 12.282 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.203 14.731 13.856 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.766 16.992 14.354 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.312 16.457 12.777 1.00 0.00 H new ATOM 1177 N GLY A 80 -9.282 16.871 12.456 1.00 0.00 N ATOM 1178 CA GLY A 80 -7.963 16.459 12.010 1.00 0.00 C ATOM 1179 C GLY A 80 -7.967 15.077 11.389 1.00 0.00 C ATOM 1180 O GLY A 80 -6.951 14.382 11.395 1.00 0.00 O ATOM 0 H GLY A 80 -9.633 17.725 12.023 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.587 17.179 11.283 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.276 16.472 12.856 1.00 0.00 H new ATOM 1184 N LYS A 81 -9.114 14.674 10.852 1.00 0.00 N ATOM 1185 CA LYS A 81 -9.248 13.365 10.224 1.00 0.00 C ATOM 1186 C LYS A 81 -9.172 13.480 8.705 1.00 0.00 C ATOM 1187 O LYS A 81 -8.854 12.511 8.014 1.00 0.00 O ATOM 1188 CB LYS A 81 -10.571 12.714 10.632 1.00 0.00 C ATOM 1189 CG LYS A 81 -10.827 12.742 12.129 1.00 0.00 C ATOM 1190 CD LYS A 81 -10.913 11.339 12.707 1.00 0.00 C ATOM 1191 CE LYS A 81 -12.043 10.544 12.072 1.00 0.00 C ATOM 1192 NZ LYS A 81 -12.320 9.283 12.816 1.00 0.00 N ATOM 0 H LYS A 81 -9.965 15.236 10.839 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.423 12.740 10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.389 13.223 10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.578 11.679 10.290 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.028 13.292 12.625 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.755 13.277 12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.968 10.820 12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.068 11.397 13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.945 11.155 12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.785 10.308 11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.096 8.770 12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.467 8.689 12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.591 9.509 13.794 1.00 0.00 H new ATOM 1206 N LEU A 82 -9.466 14.669 8.191 1.00 0.00 N ATOM 1207 CA LEU A 82 -9.430 14.911 6.753 1.00 0.00 C ATOM 1208 C LEU A 82 -8.095 14.471 6.160 1.00 0.00 C ATOM 1209 O LEU A 82 -8.046 13.907 5.067 1.00 0.00 O ATOM 1210 CB LEU A 82 -9.668 16.393 6.459 1.00 0.00 C ATOM 1211 CG LEU A 82 -10.589 16.704 5.279 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -11.130 18.122 5.383 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -9.852 16.508 3.962 1.00 0.00 C ATOM 0 H LEU A 82 -9.732 15.481 8.749 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.223 14.323 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.086 16.857 7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.703 16.866 6.275 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.431 16.013 5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.783 18.325 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.694 18.229 6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.300 18.829 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.522 16.734 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.991 17.175 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.514 15.475 3.884 1.00 0.00 H new ATOM 1225 N ASP A 83 -7.016 14.732 6.889 1.00 0.00 N ATOM 1226 CA ASP A 83 -5.680 14.361 6.437 1.00 0.00 C ATOM 1227 C ASP A 83 -5.631 12.889 6.039 1.00 0.00 C ATOM 1228 O ASP A 83 -5.003 12.524 5.045 1.00 0.00 O ATOM 1229 CB ASP A 83 -4.651 14.641 7.533 1.00 0.00 C ATOM 1230 CG ASP A 83 -3.339 13.919 7.294 1.00 0.00 C ATOM 1231 OD1 ASP A 83 -2.536 14.403 6.470 1.00 0.00 O ATOM 1232 OD2 ASP A 83 -3.116 12.869 7.933 1.00 0.00 O ATOM 0 H ASP A 83 -7.040 15.199 7.795 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.439 14.964 5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.467 15.714 7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.059 14.337 8.497 1.00 0.00 H new ATOM 1237 N SER A 84 -6.296 12.047 6.824 1.00 0.00 N ATOM 1238 CA SER A 84 -6.324 10.613 6.557 1.00 0.00 C ATOM 1239 C SER A 84 -7.339 10.284 5.467 1.00 0.00 C ATOM 1240 O SER A 84 -7.206 9.284 4.759 1.00 0.00 O ATOM 1241 CB SER A 84 -6.662 9.842 7.834 1.00 0.00 C ATOM 1242 OG SER A 84 -5.727 10.123 8.862 1.00 0.00 O ATOM 0 H SER A 84 -6.822 12.333 7.650 1.00 0.00 H new ATOM 0 HA SER A 84 -5.335 10.313 6.211 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.665 10.107 8.168 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.668 8.772 7.626 1.00 0.00 H new ATOM 0 HG SER A 84 -5.966 9.620 9.668 1.00 0.00 H new ATOM 1248 N LEU A 85 -8.354 11.131 5.337 1.00 0.00 N ATOM 1249 CA LEU A 85 -9.394 10.931 4.333 1.00 0.00 C ATOM 1250 C LEU A 85 -8.831 11.099 2.925 1.00 0.00 C ATOM 1251 O LEU A 85 -9.164 10.337 2.017 1.00 0.00 O ATOM 1252 CB LEU A 85 -10.542 11.916 4.556 1.00 0.00 C ATOM 1253 CG LEU A 85 -11.695 11.417 5.429 1.00 0.00 C ATOM 1254 CD1 LEU A 85 -12.331 10.179 4.816 1.00 0.00 C ATOM 1255 CD2 LEU A 85 -11.207 11.125 6.840 1.00 0.00 C ATOM 0 H LEU A 85 -8.479 11.963 5.914 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.772 9.914 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.135 12.821 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.945 12.199 3.584 1.00 0.00 H new ATOM 0 HG LEU A 85 -12.451 12.200 5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.149 9.838 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.716 10.421 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.584 9.390 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.040 10.771 7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.432 10.359 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.799 12.035 7.279 1.00 0.00 H new ATOM 1267 N LEU A 86 -7.975 12.100 2.752 1.00 0.00 N ATOM 1268 CA LEU A 86 -7.363 12.368 1.455 1.00 0.00 C ATOM 1269 C LEU A 86 -6.156 11.464 1.226 1.00 0.00 C ATOM 1270 O LEU A 86 -5.752 11.227 0.087 1.00 0.00 O ATOM 1271 CB LEU A 86 -6.941 13.835 1.361 1.00 0.00 C ATOM 1272 CG LEU A 86 -5.973 14.325 2.439 1.00 0.00 C ATOM 1273 CD1 LEU A 86 -4.533 14.145 1.984 1.00 0.00 C ATOM 1274 CD2 LEU A 86 -6.248 15.782 2.780 1.00 0.00 C ATOM 0 H LEU A 86 -7.689 12.739 3.493 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.102 12.159 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.481 13.998 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.838 14.453 1.398 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.126 13.727 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.858 14.499 2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.342 13.090 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.365 14.717 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.550 16.114 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.123 16.395 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.269 15.883 3.149 1.00 0.00 H new ATOM 1286 N LYS A 87 -5.586 10.960 2.314 1.00 0.00 N ATOM 1287 CA LYS A 87 -4.427 10.078 2.233 1.00 0.00 C ATOM 1288 C LYS A 87 -4.855 8.642 1.949 1.00 0.00 C ATOM 1289 O LYS A 87 -4.171 7.909 1.234 1.00 0.00 O ATOM 1290 CB LYS A 87 -3.626 10.134 3.536 1.00 0.00 C ATOM 1291 CG LYS A 87 -2.536 11.192 3.534 1.00 0.00 C ATOM 1292 CD LYS A 87 -1.251 10.668 2.916 1.00 0.00 C ATOM 1293 CE LYS A 87 -0.464 9.817 3.901 1.00 0.00 C ATOM 1294 NZ LYS A 87 0.329 10.652 4.845 1.00 0.00 N ATOM 0 H LYS A 87 -5.908 11.147 3.264 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.798 10.420 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.308 10.328 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.174 9.159 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.877 12.066 2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.343 11.518 4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.487 10.077 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.637 11.506 2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.150 9.185 4.464 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.205 9.153 3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.851 10.035 5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.002 11.237 4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.311 11.268 5.386 1.00 0.00 H new ATOM 1308 N THR A 88 -5.992 8.245 2.512 1.00 0.00 N ATOM 1309 CA THR A 88 -6.511 6.897 2.318 1.00 0.00 C ATOM 1310 C THR A 88 -7.521 6.856 1.178 1.00 0.00 C ATOM 1311 O THR A 88 -7.555 5.903 0.400 1.00 0.00 O ATOM 1312 CB THR A 88 -7.179 6.363 3.600 1.00 0.00 C ATOM 1313 OG1 THR A 88 -8.406 7.061 3.841 1.00 0.00 O ATOM 1314 CG2 THR A 88 -6.255 6.523 4.798 1.00 0.00 C ATOM 0 H THR A 88 -6.571 8.838 3.106 1.00 0.00 H new ATOM 0 HA THR A 88 -5.660 6.263 2.069 1.00 0.00 H new ATOM 0 HB THR A 88 -7.387 5.302 3.460 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.212 7.992 4.079 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.748 6.139 5.691 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.334 5.966 4.624 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.020 7.578 4.938 1.00 0.00 H new ATOM 1322 N GLY A 89 -8.344 7.896 1.083 1.00 0.00 N ATOM 1323 CA GLY A 89 -9.343 7.958 0.033 1.00 0.00 C ATOM 1324 C GLY A 89 -10.630 7.253 0.415 1.00 0.00 C ATOM 1325 O GLY A 89 -11.370 6.784 -0.450 1.00 0.00 O ATOM 0 H GLY A 89 -8.336 8.697 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.559 9.001 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.941 7.507 -0.874 1.00 0.00 H new ATOM 1329 N LYS A 90 -10.898 7.177 1.714 1.00 0.00 N ATOM 1330 CA LYS A 90 -12.103 6.523 2.210 1.00 0.00 C ATOM 1331 C LYS A 90 -12.314 6.823 3.691 1.00 0.00 C ATOM 1332 O LYS A 90 -11.416 7.325 4.367 1.00 0.00 O ATOM 1333 CB LYS A 90 -12.015 5.011 1.992 1.00 0.00 C ATOM 1334 CG LYS A 90 -10.873 4.353 2.747 1.00 0.00 C ATOM 1335 CD LYS A 90 -9.635 4.218 1.877 1.00 0.00 C ATOM 1336 CE LYS A 90 -9.668 2.938 1.056 1.00 0.00 C ATOM 1337 NZ LYS A 90 -9.351 1.740 1.883 1.00 0.00 N ATOM 0 H LYS A 90 -10.296 7.561 2.443 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.954 6.914 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.955 4.553 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.897 4.812 0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.634 4.942 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.185 3.368 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.562 5.077 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.745 4.226 2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.655 2.819 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.953 3.013 0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.200 0.920 1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.489 1.919 2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.143 1.545 2.529 1.00 0.00 H new