USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 679 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 38 SER OG : rot -41:sc= 0.146 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -114:sc= -0.216 (180deg=-3.2!) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -14.5! C(o=-20!,f=-22!) USER MOD Set 2.2: A 30 HIS : no HD1:sc= -5.8! C(o=-20!,f=-21!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= -0.446 (180deg=-0.446) USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= -0.0411 (180deg=-0.397) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= -0.117 (180deg=-0.744) USER MOD Single : A 12 MET CE :methyl 163:sc= -0.693 (180deg=-1.48) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0384 USER MOD Single : A 15 TYR OH : rot 179:sc= -2 USER MOD Single : A 20 GLN : amide:sc= -0.546 K(o=-0.55,f=-1.8) USER MOD Single : A 21 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 22 SER OG : rot 89:sc= 1.1 USER MOD Single : A 27 LYS NZ :NH3+ 141:sc= -4.16! (180deg=-5.75!) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 1.15 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.174) USER MOD Single : A 34 SER OG : rot 180:sc= -0.144 USER MOD Single : A 36 ASN : amide:sc= -3.38! C(o=-3.4!,f=-15!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.00479 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 111:sc= -6.74! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -174:sc= -0.239 (180deg=-0.536) USER MOD Single : A 52 SER OG : rot 170:sc= -0.0172 USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.163) USER MOD Single : A 56 LYS NZ :NH3+ -128:sc= -0.0722 (180deg=-2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -179:sc= -0.663 (180deg=-0.664) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -156:sc= -0.154 (180deg=-1.12) USER MOD Single : A 70 TYR OH : rot 120:sc= -0.0384 USER MOD Single : A 74 MET CE :methyl 159:sc= -0.225 (180deg=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -32:sc= 0.226 USER MOD Single : A 77 TYR OH : rot 173:sc= -0.0977 USER MOD Single : A 81 LYS NZ :NH3+ -151:sc= -0.145 (180deg=-0.828) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.361 -20.390 9.070 1.00 0.00 N ATOM 2 CA GLY A 1 -4.286 -19.843 10.452 1.00 0.00 C ATOM 3 C GLY A 1 -5.697 -19.603 11.000 1.00 0.00 C ATOM 4 O GLY A 1 -6.046 -20.098 12.051 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.400 -20.549 8.707 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.881 -21.291 9.081 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.855 -19.713 8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.750 -20.538 11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.724 -18.909 10.452 1.00 0.00 H new ATOM 10 N LYS A 2 -6.478 -18.847 10.273 1.00 0.00 N ATOM 11 CA LYS A 2 -7.862 -18.572 10.743 1.00 0.00 C ATOM 12 C LYS A 2 -8.722 -18.018 9.617 1.00 0.00 C ATOM 13 O LYS A 2 -8.308 -17.983 8.476 1.00 0.00 O ATOM 14 CB LYS A 2 -7.794 -17.528 11.884 1.00 0.00 C ATOM 15 CG LYS A 2 -7.051 -16.236 11.396 1.00 0.00 C ATOM 16 CD LYS A 2 -8.071 -15.154 10.986 1.00 0.00 C ATOM 17 CE LYS A 2 -7.327 -13.847 10.698 1.00 0.00 C ATOM 18 NZ LYS A 2 -8.268 -12.817 10.176 1.00 0.00 N ATOM 0 H LYS A 2 -6.219 -18.415 9.386 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.308 -19.503 11.091 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.801 -17.274 12.214 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.274 -17.952 12.743 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.408 -15.857 12.190 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.406 -16.476 10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.624 -15.474 10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.800 -15.004 11.782 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.850 -13.485 11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.534 -14.025 9.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.748 -11.937 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.704 -13.159 9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.010 -12.635 10.882 1.00 0.00 H new ATOM 32 N GLY A 3 -9.909 -17.593 9.960 1.00 0.00 N ATOM 33 CA GLY A 3 -10.817 -17.035 8.919 1.00 0.00 C ATOM 34 C GLY A 3 -12.248 -16.925 9.460 1.00 0.00 C ATOM 35 O GLY A 3 -13.102 -17.725 9.131 1.00 0.00 O ATOM 0 H GLY A 3 -10.286 -17.608 10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -10.463 -16.052 8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.804 -17.673 8.036 1.00 0.00 H new ATOM 39 N ASP A 4 -12.477 -15.927 10.276 1.00 0.00 N ATOM 40 CA ASP A 4 -13.839 -15.737 10.854 1.00 0.00 C ATOM 41 C ASP A 4 -14.031 -14.290 11.399 1.00 0.00 C ATOM 42 O ASP A 4 -14.930 -13.604 10.955 1.00 0.00 O ATOM 43 CB ASP A 4 -14.130 -16.808 11.972 1.00 0.00 C ATOM 44 CG ASP A 4 -12.990 -17.848 12.054 1.00 0.00 C ATOM 45 OD1 ASP A 4 -11.869 -17.423 12.266 1.00 0.00 O ATOM 46 OD2 ASP A 4 -13.316 -19.011 11.896 1.00 0.00 O ATOM 0 H ASP A 4 -11.782 -15.239 10.565 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.562 -15.882 10.051 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.244 -16.311 12.936 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.073 -17.313 11.760 1.00 0.00 H new ATOM 51 N PRO A 5 -13.187 -13.825 12.356 1.00 0.00 N ATOM 52 CA PRO A 5 -13.358 -12.465 12.872 1.00 0.00 C ATOM 53 C PRO A 5 -13.296 -11.495 11.707 1.00 0.00 C ATOM 54 O PRO A 5 -13.859 -10.417 11.739 1.00 0.00 O ATOM 55 CB PRO A 5 -12.155 -12.241 13.848 1.00 0.00 C ATOM 56 CG PRO A 5 -11.272 -13.535 13.792 1.00 0.00 C ATOM 57 CD PRO A 5 -12.039 -14.575 12.927 1.00 0.00 C ATOM 0 HA PRO A 5 -14.309 -12.315 13.382 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -11.576 -11.366 13.552 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -12.510 -12.060 14.863 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.296 -13.317 13.357 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.095 -13.924 14.795 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.402 -14.981 12.141 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.378 -15.417 13.530 1.00 0.00 H new ATOM 65 N LYS A 6 -12.594 -11.938 10.698 1.00 0.00 N ATOM 66 CA LYS A 6 -12.406 -11.149 9.452 1.00 0.00 C ATOM 67 C LYS A 6 -12.583 -12.094 8.282 1.00 0.00 C ATOM 68 O LYS A 6 -11.620 -12.497 7.659 1.00 0.00 O ATOM 69 CB LYS A 6 -10.954 -10.604 9.421 1.00 0.00 C ATOM 70 CG LYS A 6 -10.745 -9.574 10.558 1.00 0.00 C ATOM 71 CD LYS A 6 -11.203 -8.169 10.089 1.00 0.00 C ATOM 72 CE LYS A 6 -10.038 -7.454 9.379 1.00 0.00 C ATOM 73 NZ LYS A 6 -8.983 -7.071 10.362 1.00 0.00 N ATOM 0 H LYS A 6 -12.129 -12.846 10.690 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.117 -10.324 9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.247 -11.426 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.753 -10.138 8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.310 -9.874 11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.694 -9.546 10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.053 -8.260 9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.537 -7.581 10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.613 -8.107 8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.407 -6.565 8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.432 -6.273 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.429 -6.792 11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.352 -7.881 10.527 1.00 0.00 H new ATOM 87 N LYS A 7 -13.816 -12.448 7.997 1.00 0.00 N ATOM 88 CA LYS A 7 -14.040 -13.369 6.873 1.00 0.00 C ATOM 89 C LYS A 7 -13.522 -12.794 5.524 1.00 0.00 C ATOM 90 O LYS A 7 -12.973 -13.525 4.726 1.00 0.00 O ATOM 91 CB LYS A 7 -15.558 -13.762 6.791 1.00 0.00 C ATOM 92 CG LYS A 7 -15.846 -14.587 5.510 1.00 0.00 C ATOM 93 CD LYS A 7 -15.028 -15.903 5.505 1.00 0.00 C ATOM 94 CE LYS A 7 -15.344 -16.732 6.758 1.00 0.00 C ATOM 95 NZ LYS A 7 -15.099 -18.178 6.494 1.00 0.00 N ATOM 0 H LYS A 7 -14.652 -12.138 8.492 1.00 0.00 H new ATOM 0 HA LYS A 7 -13.458 -14.271 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.836 -14.341 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.172 -12.861 6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -16.910 -14.815 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.597 -13.996 4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.261 -16.480 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.962 -15.677 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.725 -16.397 7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.383 -16.579 7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.316 -18.729 7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.708 -18.496 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.102 -18.320 6.235 1.00 0.00 H new ATOM 109 N PRO A 8 -13.696 -11.492 5.283 1.00 0.00 N ATOM 110 CA PRO A 8 -13.227 -10.898 4.029 1.00 0.00 C ATOM 111 C PRO A 8 -11.692 -10.907 3.965 1.00 0.00 C ATOM 112 O PRO A 8 -11.040 -11.506 4.797 1.00 0.00 O ATOM 113 CB PRO A 8 -13.781 -9.438 4.053 1.00 0.00 C ATOM 114 CG PRO A 8 -14.737 -9.353 5.285 1.00 0.00 C ATOM 115 CD PRO A 8 -14.385 -10.551 6.189 1.00 0.00 C ATOM 0 HA PRO A 8 -13.569 -11.450 3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.970 -8.715 4.140 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -14.314 -9.209 3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.602 -8.411 5.817 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.780 -9.396 4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.742 -10.251 7.017 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.278 -10.998 6.625 1.00 0.00 H new ATOM 123 N ARG A 9 -11.149 -10.237 2.976 1.00 0.00 N ATOM 124 CA ARG A 9 -9.662 -10.193 2.830 1.00 0.00 C ATOM 125 C ARG A 9 -9.037 -9.151 3.736 1.00 0.00 C ATOM 126 O ARG A 9 -7.830 -9.049 3.820 1.00 0.00 O ATOM 127 CB ARG A 9 -9.341 -9.850 1.352 1.00 0.00 C ATOM 128 CG ARG A 9 -7.989 -10.469 0.952 1.00 0.00 C ATOM 129 CD ARG A 9 -7.452 -9.753 -0.301 1.00 0.00 C ATOM 130 NE ARG A 9 -8.606 -9.342 -1.156 1.00 0.00 N ATOM 131 CZ ARG A 9 -9.297 -10.252 -1.788 1.00 0.00 C ATOM 132 NH1 ARG A 9 -8.958 -11.506 -1.655 1.00 0.00 N ATOM 133 NH2 ARG A 9 -10.302 -9.878 -2.532 1.00 0.00 N ATOM 0 H ARG A 9 -11.670 -9.721 2.267 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.249 -11.161 3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.130 -10.228 0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.309 -8.769 1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.277 -10.376 1.772 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.108 -11.534 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.866 -8.880 -0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.788 -10.414 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.853 -8.356 -1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.166 -11.760 -1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.486 -12.231 -2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.536 -8.889 -2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.853 -10.575 -3.033 1.00 0.00 H new ATOM 147 N GLY A 10 -9.848 -8.399 4.401 1.00 0.00 N ATOM 148 CA GLY A 10 -9.286 -7.373 5.292 1.00 0.00 C ATOM 149 C GLY A 10 -8.697 -6.238 4.459 1.00 0.00 C ATOM 150 O GLY A 10 -7.606 -6.352 3.938 1.00 0.00 O ATOM 0 H GLY A 10 -10.866 -8.450 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.062 -6.987 5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.515 -7.810 5.926 1.00 0.00 H new ATOM 154 N LYS A 11 -9.441 -5.169 4.341 1.00 0.00 N ATOM 155 CA LYS A 11 -8.943 -4.010 3.539 1.00 0.00 C ATOM 156 C LYS A 11 -7.526 -3.598 3.961 1.00 0.00 C ATOM 157 O LYS A 11 -7.276 -3.275 5.105 1.00 0.00 O ATOM 158 CB LYS A 11 -9.919 -2.782 3.691 1.00 0.00 C ATOM 159 CG LYS A 11 -10.824 -2.927 4.931 1.00 0.00 C ATOM 160 CD LYS A 11 -9.976 -2.898 6.208 1.00 0.00 C ATOM 161 CE LYS A 11 -10.898 -2.652 7.408 1.00 0.00 C ATOM 162 NZ LYS A 11 -11.484 -1.285 7.342 1.00 0.00 N ATOM 0 H LYS A 11 -10.363 -5.048 4.760 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.909 -4.323 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.339 -1.863 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.537 -2.694 2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.556 -2.120 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.382 -3.862 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.443 -3.841 6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.223 -2.112 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.695 -3.396 7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.337 -2.770 8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.693 -0.950 8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.807 -0.638 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.363 -1.310 6.786 1.00 0.00 H new ATOM 176 N MET A 12 -6.632 -3.619 3.006 1.00 0.00 N ATOM 177 CA MET A 12 -5.228 -3.240 3.290 1.00 0.00 C ATOM 178 C MET A 12 -5.111 -1.728 3.488 1.00 0.00 C ATOM 179 O MET A 12 -5.914 -0.970 2.983 1.00 0.00 O ATOM 180 CB MET A 12 -4.363 -3.657 2.055 1.00 0.00 C ATOM 181 CG MET A 12 -3.713 -5.024 2.302 1.00 0.00 C ATOM 182 SD MET A 12 -2.937 -5.839 0.882 1.00 0.00 S ATOM 183 CE MET A 12 -2.204 -4.356 0.137 1.00 0.00 C ATOM 0 H MET A 12 -6.821 -3.884 2.040 1.00 0.00 H new ATOM 0 HA MET A 12 -4.889 -3.737 4.199 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.987 -3.699 1.162 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.593 -2.908 1.871 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.957 -4.903 3.078 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.475 -5.693 2.701 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.434 -4.650 -0.576 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.978 -3.787 -0.379 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.759 -3.739 0.918 1.00 0.00 H new ATOM 193 N SER A 13 -4.107 -1.324 4.217 1.00 0.00 N ATOM 194 CA SER A 13 -3.917 0.122 4.458 1.00 0.00 C ATOM 195 C SER A 13 -3.304 0.775 3.227 1.00 0.00 C ATOM 196 O SER A 13 -2.795 0.098 2.359 1.00 0.00 O ATOM 197 CB SER A 13 -2.955 0.292 5.643 1.00 0.00 C ATOM 198 OG SER A 13 -3.599 -0.390 6.709 1.00 0.00 O ATOM 0 H SER A 13 -3.416 -1.935 4.652 1.00 0.00 H new ATOM 0 HA SER A 13 -4.878 0.590 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.977 -0.138 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.796 1.344 5.880 1.00 0.00 H new ATOM 0 HG SER A 13 -3.046 -0.333 7.516 1.00 0.00 H new ATOM 204 N SER A 14 -3.353 2.074 3.171 1.00 0.00 N ATOM 205 CA SER A 14 -2.778 2.767 2.006 1.00 0.00 C ATOM 206 C SER A 14 -1.297 2.481 1.909 1.00 0.00 C ATOM 207 O SER A 14 -0.729 2.474 0.832 1.00 0.00 O ATOM 208 CB SER A 14 -2.996 4.270 2.198 1.00 0.00 C ATOM 209 OG SER A 14 -2.297 4.570 3.392 1.00 0.00 O ATOM 0 H SER A 14 -3.766 2.678 3.882 1.00 0.00 H new ATOM 0 HA SER A 14 -3.258 2.421 1.090 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.607 4.840 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.055 4.511 2.285 1.00 0.00 H new ATOM 0 HG SER A 14 -2.384 5.526 3.591 1.00 0.00 H new ATOM 215 N TYR A 15 -0.690 2.246 3.040 1.00 0.00 N ATOM 216 CA TYR A 15 0.755 1.956 3.037 1.00 0.00 C ATOM 217 C TYR A 15 0.969 0.537 2.559 1.00 0.00 C ATOM 218 O TYR A 15 1.770 0.283 1.687 1.00 0.00 O ATOM 219 CB TYR A 15 1.306 2.085 4.487 1.00 0.00 C ATOM 220 CG TYR A 15 2.699 1.417 4.580 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.645 1.608 3.584 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.006 0.580 5.632 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.860 0.977 3.641 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.232 -0.053 5.684 1.00 0.00 C ATOM 225 CZ TYR A 15 5.163 0.141 4.685 1.00 0.00 C ATOM 226 OH TYR A 15 6.360 -0.521 4.713 1.00 0.00 O ATOM 0 H TYR A 15 -1.137 2.244 3.957 1.00 0.00 H new ATOM 0 HA TYR A 15 1.271 2.656 2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.377 3.136 4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.619 1.614 5.190 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.421 2.262 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.284 0.419 6.419 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.585 1.139 2.857 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.464 -0.705 6.513 1.00 0.00 H new ATOM 0 HH TYR A 15 6.418 -1.057 5.531 1.00 0.00 H new ATOM 236 N ALA A 16 0.256 -0.369 3.161 1.00 0.00 N ATOM 237 CA ALA A 16 0.395 -1.776 2.761 1.00 0.00 C ATOM 238 C ALA A 16 0.158 -1.916 1.261 1.00 0.00 C ATOM 239 O ALA A 16 0.664 -2.826 0.633 1.00 0.00 O ATOM 240 CB ALA A 16 -0.635 -2.615 3.541 1.00 0.00 C ATOM 0 H ALA A 16 -0.413 -0.189 3.910 1.00 0.00 H new ATOM 0 HA ALA A 16 1.402 -2.128 2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.543 -3.663 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.451 -2.514 4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.640 -2.262 3.311 1.00 0.00 H new ATOM 246 N PHE A 17 -0.606 -1.001 0.710 1.00 0.00 N ATOM 247 CA PHE A 17 -0.881 -1.067 -0.744 1.00 0.00 C ATOM 248 C PHE A 17 0.374 -0.682 -1.485 1.00 0.00 C ATOM 249 O PHE A 17 0.667 -1.200 -2.538 1.00 0.00 O ATOM 250 CB PHE A 17 -2.030 -0.050 -1.074 1.00 0.00 C ATOM 251 CG PHE A 17 -3.311 -0.790 -1.491 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.499 -1.183 -2.805 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.320 -1.023 -0.570 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.676 -1.791 -3.189 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.493 -1.633 -0.961 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.671 -2.013 -2.268 1.00 0.00 C ATOM 0 H PHE A 17 -1.042 -0.223 1.205 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.184 -2.071 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.232 0.573 -0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.712 0.617 -1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.720 -1.013 -3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.187 -0.725 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.816 -2.093 -4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.274 -1.812 -0.237 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.593 -2.486 -2.572 1.00 0.00 H new ATOM 266 N PHE A 18 1.098 0.217 -0.904 1.00 0.00 N ATOM 267 CA PHE A 18 2.354 0.670 -1.542 1.00 0.00 C ATOM 268 C PHE A 18 3.429 -0.376 -1.323 1.00 0.00 C ATOM 269 O PHE A 18 4.425 -0.391 -2.019 1.00 0.00 O ATOM 270 CB PHE A 18 2.774 2.027 -0.919 1.00 0.00 C ATOM 271 CG PHE A 18 4.266 2.300 -1.161 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.226 1.751 -0.328 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.672 3.104 -2.213 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.566 2.002 -0.545 1.00 0.00 C ATOM 275 CE2 PHE A 18 6.013 3.352 -2.427 1.00 0.00 C ATOM 276 CZ PHE A 18 6.957 2.801 -1.592 1.00 0.00 C ATOM 0 H PHE A 18 0.876 0.660 -0.013 1.00 0.00 H new ATOM 0 HA PHE A 18 2.210 0.803 -2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.178 2.831 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.570 2.019 0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.925 1.122 0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.934 3.540 -2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.308 1.569 0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.321 3.979 -3.251 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.006 2.997 -1.759 1.00 0.00 H new ATOM 286 N VAL A 19 3.212 -1.243 -0.345 1.00 0.00 N ATOM 287 CA VAL A 19 4.213 -2.292 -0.076 1.00 0.00 C ATOM 288 C VAL A 19 4.039 -3.394 -1.052 1.00 0.00 C ATOM 289 O VAL A 19 4.989 -3.860 -1.598 1.00 0.00 O ATOM 290 CB VAL A 19 4.040 -2.852 1.359 1.00 0.00 C ATOM 291 CG1 VAL A 19 4.951 -4.096 1.533 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.460 -1.771 2.373 1.00 0.00 C ATOM 0 H VAL A 19 2.390 -1.254 0.259 1.00 0.00 H new ATOM 0 HA VAL A 19 5.209 -1.860 -0.169 1.00 0.00 H new ATOM 0 HB VAL A 19 3.000 -3.132 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.834 -4.495 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.669 -4.858 0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.991 -3.810 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.341 -2.156 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.503 -1.502 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.833 -0.889 2.245 1.00 0.00 H new ATOM 302 N GLN A 20 2.820 -3.812 -1.254 1.00 0.00 N ATOM 303 CA GLN A 20 2.618 -4.902 -2.215 1.00 0.00 C ATOM 304 C GLN A 20 3.126 -4.435 -3.563 1.00 0.00 C ATOM 305 O GLN A 20 3.519 -5.220 -4.403 1.00 0.00 O ATOM 306 CB GLN A 20 1.097 -5.289 -2.255 1.00 0.00 C ATOM 307 CG GLN A 20 0.302 -4.449 -3.305 1.00 0.00 C ATOM 308 CD GLN A 20 0.215 -5.205 -4.647 1.00 0.00 C ATOM 309 OE1 GLN A 20 1.040 -6.035 -4.967 1.00 0.00 O ATOM 310 NE2 GLN A 20 -0.779 -4.946 -5.455 1.00 0.00 N ATOM 0 H GLN A 20 1.981 -3.449 -0.802 1.00 0.00 H new ATOM 0 HA GLN A 20 3.169 -5.797 -1.925 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.000 -6.349 -2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.660 -5.141 -1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.701 -4.243 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.790 -3.486 -3.454 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.478 -4.250 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.855 -5.440 -6.344 1.00 0.00 H new ATOM 319 N THR A 21 3.136 -3.132 -3.715 1.00 0.00 N ATOM 320 CA THR A 21 3.611 -2.539 -4.979 1.00 0.00 C ATOM 321 C THR A 21 5.121 -2.502 -4.971 1.00 0.00 C ATOM 322 O THR A 21 5.753 -2.628 -6.002 1.00 0.00 O ATOM 323 CB THR A 21 3.053 -1.115 -5.092 1.00 0.00 C ATOM 324 OG1 THR A 21 1.651 -1.259 -5.020 1.00 0.00 O ATOM 325 CG2 THR A 21 3.294 -0.541 -6.483 1.00 0.00 C ATOM 0 H THR A 21 2.832 -2.462 -3.009 1.00 0.00 H new ATOM 0 HA THR A 21 3.273 -3.132 -5.829 1.00 0.00 H new ATOM 0 HB THR A 21 3.509 -0.483 -4.330 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.365 -1.213 -4.084 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.888 0.469 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.365 -0.513 -6.684 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.801 -1.168 -7.226 1.00 0.00 H new ATOM 333 N SER A 22 5.682 -2.332 -3.798 1.00 0.00 N ATOM 334 CA SER A 22 7.161 -2.291 -3.709 1.00 0.00 C ATOM 335 C SER A 22 7.692 -3.708 -3.797 1.00 0.00 C ATOM 336 O SER A 22 8.787 -3.944 -4.252 1.00 0.00 O ATOM 337 CB SER A 22 7.557 -1.697 -2.349 1.00 0.00 C ATOM 338 OG SER A 22 7.092 -0.357 -2.402 1.00 0.00 O ATOM 0 H SER A 22 5.183 -2.222 -2.915 1.00 0.00 H new ATOM 0 HA SER A 22 7.571 -1.685 -4.517 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.097 -2.245 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.635 -1.738 -2.196 1.00 0.00 H new ATOM 0 HG SER A 22 6.167 -0.319 -2.080 1.00 0.00 H new ATOM 344 N ARG A 23 6.867 -4.622 -3.364 1.00 0.00 N ATOM 345 CA ARG A 23 7.230 -6.065 -3.380 1.00 0.00 C ATOM 346 C ARG A 23 7.460 -6.548 -4.798 1.00 0.00 C ATOM 347 O ARG A 23 8.522 -7.034 -5.127 1.00 0.00 O ATOM 348 CB ARG A 23 6.038 -6.837 -2.748 1.00 0.00 C ATOM 349 CG ARG A 23 6.512 -8.156 -2.091 1.00 0.00 C ATOM 350 CD ARG A 23 5.501 -8.567 -0.999 1.00 0.00 C ATOM 351 NE ARG A 23 5.626 -10.033 -0.749 1.00 0.00 N ATOM 352 CZ ARG A 23 5.064 -10.876 -1.575 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.406 -10.412 -2.602 1.00 0.00 N ATOM 354 NH2 ARG A 23 5.183 -12.156 -1.348 1.00 0.00 N ATOM 0 H ARG A 23 5.938 -4.423 -2.993 1.00 0.00 H new ATOM 0 HA ARG A 23 8.152 -6.231 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.550 -6.210 -2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.295 -7.056 -3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.595 -8.942 -2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.503 -8.025 -1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.691 -8.011 -0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.486 -8.324 -1.314 1.00 0.00 H new ATOM 0 HE ARG A 23 6.146 -10.374 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.336 -9.405 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.962 -11.056 -3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.708 -12.483 -0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.751 -12.829 -1.982 1.00 0.00 H new ATOM 368 N GLU A 24 6.454 -6.409 -5.603 1.00 0.00 N ATOM 369 CA GLU A 24 6.575 -6.849 -7.011 1.00 0.00 C ATOM 370 C GLU A 24 7.781 -6.199 -7.659 1.00 0.00 C ATOM 371 O GLU A 24 8.410 -6.769 -8.520 1.00 0.00 O ATOM 372 CB GLU A 24 5.309 -6.413 -7.765 1.00 0.00 C ATOM 373 CG GLU A 24 4.108 -7.186 -7.215 1.00 0.00 C ATOM 374 CD GLU A 24 4.196 -8.645 -7.666 1.00 0.00 C ATOM 375 OE1 GLU A 24 3.944 -8.865 -8.839 1.00 0.00 O ATOM 376 OE2 GLU A 24 4.508 -9.458 -6.810 1.00 0.00 O ATOM 0 H GLU A 24 5.551 -6.009 -5.347 1.00 0.00 H new ATOM 0 HA GLU A 24 6.693 -7.932 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.152 -5.341 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.422 -6.604 -8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.093 -7.130 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.180 -6.739 -7.570 1.00 0.00 H new ATOM 383 N GLU A 25 8.081 -5.003 -7.218 1.00 0.00 N ATOM 384 CA GLU A 25 9.235 -4.275 -7.775 1.00 0.00 C ATOM 385 C GLU A 25 10.541 -4.782 -7.157 1.00 0.00 C ATOM 386 O GLU A 25 11.593 -4.682 -7.754 1.00 0.00 O ATOM 387 CB GLU A 25 9.048 -2.776 -7.439 1.00 0.00 C ATOM 388 CG GLU A 25 8.088 -2.144 -8.456 1.00 0.00 C ATOM 389 CD GLU A 25 8.038 -0.629 -8.235 1.00 0.00 C ATOM 390 OE1 GLU A 25 8.084 -0.249 -7.076 1.00 0.00 O ATOM 391 OE2 GLU A 25 7.953 0.062 -9.237 1.00 0.00 O ATOM 0 H GLU A 25 7.566 -4.506 -6.491 1.00 0.00 H new ATOM 0 HA GLU A 25 9.290 -4.430 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.652 -2.664 -6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.010 -2.264 -7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.419 -2.364 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.091 -2.572 -8.346 1.00 0.00 H new ATOM 398 N HIS A 26 10.431 -5.324 -5.970 1.00 0.00 N ATOM 399 CA HIS A 26 11.640 -5.859 -5.260 1.00 0.00 C ATOM 400 C HIS A 26 11.913 -7.293 -5.696 1.00 0.00 C ATOM 401 O HIS A 26 13.010 -7.778 -5.568 1.00 0.00 O ATOM 402 CB HIS A 26 11.336 -5.793 -3.719 1.00 0.00 C ATOM 403 CG HIS A 26 11.921 -6.993 -2.941 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.729 -6.897 -1.995 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.628 -8.341 -3.040 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.982 -8.027 -1.480 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.321 -9.018 -2.080 1.00 0.00 N ATOM 0 H HIS A 26 9.554 -5.421 -5.458 1.00 0.00 H new ATOM 0 HA HIS A 26 12.527 -5.272 -5.499 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.745 -4.868 -3.312 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.257 -5.759 -3.567 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.136 -6.018 -1.676 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.958 -8.786 -3.761 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.657 -8.171 -0.649 1.00 0.00 H new ATOM 415 N LYS A 27 10.918 -7.942 -6.204 1.00 0.00 N ATOM 416 CA LYS A 27 11.131 -9.331 -6.640 1.00 0.00 C ATOM 417 C LYS A 27 12.092 -9.384 -7.841 1.00 0.00 C ATOM 418 O LYS A 27 12.517 -10.445 -8.249 1.00 0.00 O ATOM 419 CB LYS A 27 9.759 -9.930 -7.053 1.00 0.00 C ATOM 420 CG LYS A 27 9.786 -11.467 -6.872 1.00 0.00 C ATOM 421 CD LYS A 27 8.723 -12.112 -7.777 1.00 0.00 C ATOM 422 CE LYS A 27 7.345 -11.520 -7.451 1.00 0.00 C ATOM 423 NZ LYS A 27 7.169 -10.210 -8.137 1.00 0.00 N ATOM 0 H LYS A 27 9.976 -7.574 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 27 11.571 -9.902 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.964 -9.496 -6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.540 -9.680 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.774 -11.855 -7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.595 -11.724 -5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.967 -11.937 -8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.711 -13.192 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.562 -12.210 -7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.243 -11.390 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.192 -10.128 -8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.364 -9.439 -7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.828 -10.147 -8.939 1.00 0.00 H new ATOM 437 N LYS A 28 12.419 -8.229 -8.377 1.00 0.00 N ATOM 438 CA LYS A 28 13.348 -8.195 -9.551 1.00 0.00 C ATOM 439 C LYS A 28 14.817 -8.356 -9.136 1.00 0.00 C ATOM 440 O LYS A 28 15.673 -8.515 -9.986 1.00 0.00 O ATOM 441 CB LYS A 28 13.181 -6.827 -10.272 1.00 0.00 C ATOM 442 CG LYS A 28 11.998 -6.902 -11.247 1.00 0.00 C ATOM 443 CD LYS A 28 10.753 -7.382 -10.495 1.00 0.00 C ATOM 444 CE LYS A 28 9.502 -7.086 -11.334 1.00 0.00 C ATOM 445 NZ LYS A 28 8.345 -7.885 -10.841 1.00 0.00 N ATOM 0 H LYS A 28 12.087 -7.320 -8.056 1.00 0.00 H new ATOM 0 HA LYS A 28 13.094 -9.028 -10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.013 -6.037 -9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.094 -6.574 -10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.815 -5.923 -11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.229 -7.584 -12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.825 -8.451 -10.295 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.683 -6.881 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.266 -6.023 -11.284 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.695 -7.321 -12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.510 -7.687 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.574 -8.898 -10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.142 -7.629 -9.854 1.00 0.00 H new ATOM 459 N LYS A 29 15.095 -8.316 -7.851 1.00 0.00 N ATOM 460 CA LYS A 29 16.521 -8.472 -7.429 1.00 0.00 C ATOM 461 C LYS A 29 16.655 -8.801 -5.938 1.00 0.00 C ATOM 462 O LYS A 29 17.465 -8.215 -5.244 1.00 0.00 O ATOM 463 CB LYS A 29 17.282 -7.153 -7.747 1.00 0.00 C ATOM 464 CG LYS A 29 16.575 -5.947 -7.094 1.00 0.00 C ATOM 465 CD LYS A 29 16.916 -4.670 -7.873 1.00 0.00 C ATOM 466 CE LYS A 29 16.374 -3.456 -7.115 1.00 0.00 C ATOM 467 NZ LYS A 29 14.884 -3.494 -7.070 1.00 0.00 N ATOM 0 H LYS A 29 14.418 -8.186 -7.099 1.00 0.00 H new ATOM 0 HA LYS A 29 16.949 -9.309 -7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.307 -7.221 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.336 -7.009 -8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.496 -6.104 -7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.889 -5.847 -6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.995 -4.583 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.482 -4.713 -8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.775 -3.444 -6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.706 -2.538 -7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.524 -2.583 -6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.512 -3.671 -8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.575 -4.255 -6.432 1.00 0.00 H new ATOM 481 N HIS A 30 15.862 -9.755 -5.485 1.00 0.00 N ATOM 482 CA HIS A 30 15.910 -10.164 -4.041 1.00 0.00 C ATOM 483 C HIS A 30 15.533 -11.659 -3.893 1.00 0.00 C ATOM 484 O HIS A 30 14.519 -11.996 -3.308 1.00 0.00 O ATOM 485 CB HIS A 30 14.881 -9.323 -3.250 1.00 0.00 C ATOM 486 CG HIS A 30 15.402 -7.902 -3.023 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.805 -7.462 -1.927 1.00 0.00 N ATOM 488 CD2 HIS A 30 15.492 -6.840 -3.896 1.00 0.00 C ATOM 489 CE1 HIS A 30 16.138 -6.245 -2.007 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.976 -5.756 -3.235 1.00 0.00 N ATOM 0 H HIS A 30 15.186 -10.265 -6.055 1.00 0.00 H new ATOM 0 HA HIS A 30 16.919 -10.004 -3.661 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.938 -9.287 -3.795 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.677 -9.798 -2.291 1.00 0.00 H new ATOM 0 HD2 HIS A 30 15.221 -6.865 -4.941 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.511 -5.668 -1.174 1.00 0.00 H new ATOM 0 HE2 HIS A 30 16.165 -4.817 -3.586 1.00 0.00 H new ATOM 498 N PRO A 31 16.353 -12.536 -4.451 1.00 0.00 N ATOM 499 CA PRO A 31 16.091 -13.971 -4.371 1.00 0.00 C ATOM 500 C PRO A 31 16.443 -14.528 -2.985 1.00 0.00 C ATOM 501 O PRO A 31 15.839 -15.473 -2.519 1.00 0.00 O ATOM 502 CB PRO A 31 17.030 -14.597 -5.446 1.00 0.00 C ATOM 503 CG PRO A 31 18.069 -13.491 -5.836 1.00 0.00 C ATOM 504 CD PRO A 31 17.556 -12.158 -5.229 1.00 0.00 C ATOM 0 HA PRO A 31 15.038 -14.198 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 31 17.534 -15.480 -5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.460 -14.917 -6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.058 -13.736 -5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 31 18.161 -13.412 -6.919 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.311 -11.697 -4.592 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.313 -11.436 -6.008 1.00 0.00 H new ATOM 512 N ASP A 32 17.410 -13.923 -2.365 1.00 0.00 N ATOM 513 CA ASP A 32 17.829 -14.393 -1.013 1.00 0.00 C ATOM 514 C ASP A 32 16.877 -13.929 0.079 1.00 0.00 C ATOM 515 O ASP A 32 16.550 -14.677 0.979 1.00 0.00 O ATOM 516 CB ASP A 32 19.223 -13.816 -0.724 1.00 0.00 C ATOM 517 CG ASP A 32 19.773 -14.442 0.560 1.00 0.00 C ATOM 518 OD1 ASP A 32 20.371 -15.499 0.435 1.00 0.00 O ATOM 519 OD2 ASP A 32 19.565 -13.828 1.592 1.00 0.00 O ATOM 0 H ASP A 32 17.930 -13.125 -2.731 1.00 0.00 H new ATOM 0 HA ASP A 32 17.828 -15.483 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.894 -14.020 -1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 32 19.166 -12.733 -0.619 1.00 0.00 H new ATOM 524 N ALA A 33 16.457 -12.711 -0.014 1.00 0.00 N ATOM 525 CA ALA A 33 15.529 -12.181 1.011 1.00 0.00 C ATOM 526 C ALA A 33 14.272 -13.039 1.120 1.00 0.00 C ATOM 527 O ALA A 33 13.765 -13.256 2.201 1.00 0.00 O ATOM 528 CB ALA A 33 15.122 -10.756 0.601 1.00 0.00 C ATOM 0 H ALA A 33 16.714 -12.057 -0.753 1.00 0.00 H new ATOM 0 HA ALA A 33 16.032 -12.188 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.437 -10.345 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.010 -10.127 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.629 -10.784 -0.371 1.00 0.00 H new ATOM 534 N SER A 34 13.796 -13.505 -0.009 1.00 0.00 N ATOM 535 CA SER A 34 12.571 -14.352 -0.012 1.00 0.00 C ATOM 536 C SER A 34 11.390 -13.610 0.613 1.00 0.00 C ATOM 537 O SER A 34 10.303 -14.138 0.692 1.00 0.00 O ATOM 538 CB SER A 34 12.847 -15.638 0.793 1.00 0.00 C ATOM 539 OG SER A 34 14.210 -15.927 0.524 1.00 0.00 O ATOM 0 H SER A 34 14.206 -13.333 -0.927 1.00 0.00 H new ATOM 0 HA SER A 34 12.318 -14.596 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.674 -15.486 1.858 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.196 -16.454 0.477 1.00 0.00 H new ATOM 0 HG SER A 34 14.473 -16.740 1.004 1.00 0.00 H new ATOM 545 N VAL A 35 11.639 -12.390 1.032 1.00 0.00 N ATOM 546 CA VAL A 35 10.572 -11.565 1.657 1.00 0.00 C ATOM 547 C VAL A 35 9.782 -12.332 2.722 1.00 0.00 C ATOM 548 O VAL A 35 8.732 -12.880 2.445 1.00 0.00 O ATOM 549 CB VAL A 35 9.612 -11.122 0.546 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.545 -10.173 1.132 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.407 -10.388 -0.542 1.00 0.00 C ATOM 0 H VAL A 35 12.548 -11.932 0.964 1.00 0.00 H new ATOM 0 HA VAL A 35 11.041 -10.716 2.155 1.00 0.00 H new ATOM 0 HB VAL A 35 9.120 -11.995 0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.864 -9.859 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.984 -10.692 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.033 -9.297 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.730 -10.070 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.895 -9.514 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.162 -11.057 -0.955 1.00 0.00 H new ATOM 561 N ASN A 36 10.298 -12.352 3.930 1.00 0.00 N ATOM 562 CA ASN A 36 9.580 -13.075 5.018 1.00 0.00 C ATOM 563 C ASN A 36 8.446 -12.203 5.542 1.00 0.00 C ATOM 564 O ASN A 36 7.803 -12.518 6.524 1.00 0.00 O ATOM 565 CB ASN A 36 10.573 -13.352 6.162 1.00 0.00 C ATOM 566 CG ASN A 36 11.308 -12.062 6.524 1.00 0.00 C ATOM 567 OD1 ASN A 36 10.726 -11.001 6.593 1.00 0.00 O ATOM 568 ND2 ASN A 36 12.588 -12.109 6.765 1.00 0.00 N ATOM 0 H ASN A 36 11.173 -11.904 4.203 1.00 0.00 H new ATOM 0 HA ASN A 36 9.172 -14.011 4.637 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.042 -13.737 7.033 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.288 -14.118 5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.093 -11.257 7.010 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.085 -12.998 6.709 1.00 0.00 H new ATOM 575 N PHE A 37 8.233 -11.112 4.854 1.00 0.00 N ATOM 576 CA PHE A 37 7.160 -10.165 5.248 1.00 0.00 C ATOM 577 C PHE A 37 7.291 -9.777 6.731 1.00 0.00 C ATOM 578 O PHE A 37 6.323 -9.629 7.453 1.00 0.00 O ATOM 579 CB PHE A 37 5.768 -10.826 4.937 1.00 0.00 C ATOM 580 CG PHE A 37 4.929 -9.844 4.101 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.538 -8.626 4.634 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.625 -10.125 2.781 1.00 0.00 C ATOM 583 CE1 PHE A 37 3.863 -7.707 3.856 1.00 0.00 C ATOM 584 CE2 PHE A 37 3.951 -9.204 2.007 1.00 0.00 C ATOM 585 CZ PHE A 37 3.572 -7.997 2.543 1.00 0.00 C ATOM 0 H PHE A 37 8.765 -10.838 4.028 1.00 0.00 H new ATOM 0 HA PHE A 37 7.249 -9.242 4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.907 -11.761 4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.250 -11.070 5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.763 -8.394 5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.918 -11.073 2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.563 -6.759 4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.720 -9.432 0.977 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.046 -7.277 1.934 1.00 0.00 H new ATOM 595 N SER A 38 8.513 -9.596 7.128 1.00 0.00 N ATOM 596 CA SER A 38 8.810 -9.217 8.528 1.00 0.00 C ATOM 597 C SER A 38 10.161 -8.531 8.555 1.00 0.00 C ATOM 598 O SER A 38 10.699 -8.223 9.602 1.00 0.00 O ATOM 599 CB SER A 38 8.860 -10.495 9.387 1.00 0.00 C ATOM 600 OG SER A 38 8.674 -10.025 10.713 1.00 0.00 O ATOM 0 H SER A 38 9.333 -9.697 6.530 1.00 0.00 H new ATOM 0 HA SER A 38 8.044 -8.547 8.920 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.079 -11.200 9.100 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.813 -11.013 9.277 1.00 0.00 H new ATOM 0 HG SER A 38 9.187 -9.200 10.843 1.00 0.00 H new ATOM 606 N GLU A 39 10.674 -8.315 7.365 1.00 0.00 N ATOM 607 CA GLU A 39 11.993 -7.650 7.195 1.00 0.00 C ATOM 608 C GLU A 39 11.964 -6.803 5.933 1.00 0.00 C ATOM 609 O GLU A 39 12.753 -5.893 5.764 1.00 0.00 O ATOM 610 CB GLU A 39 13.068 -8.748 7.026 1.00 0.00 C ATOM 611 CG GLU A 39 13.334 -9.439 8.378 1.00 0.00 C ATOM 612 CD GLU A 39 13.888 -8.430 9.393 1.00 0.00 C ATOM 613 OE1 GLU A 39 14.565 -7.519 8.944 1.00 0.00 O ATOM 614 OE2 GLU A 39 13.604 -8.631 10.562 1.00 0.00 O ATOM 0 H GLU A 39 10.219 -8.580 6.491 1.00 0.00 H new ATOM 0 HA GLU A 39 12.213 -7.022 8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.737 -9.483 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.990 -8.310 6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.411 -9.877 8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.043 -10.256 8.243 1.00 0.00 H new ATOM 621 N PHE A 40 11.035 -7.131 5.072 1.00 0.00 N ATOM 622 CA PHE A 40 10.891 -6.390 3.796 1.00 0.00 C ATOM 623 C PHE A 40 10.085 -5.107 3.996 1.00 0.00 C ATOM 624 O PHE A 40 10.503 -4.050 3.584 1.00 0.00 O ATOM 625 CB PHE A 40 10.152 -7.304 2.811 1.00 0.00 C ATOM 626 CG PHE A 40 9.871 -6.536 1.525 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.917 -6.068 0.753 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.573 -6.284 1.125 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.669 -5.362 -0.396 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.324 -5.578 -0.024 1.00 0.00 C ATOM 631 CZ PHE A 40 9.370 -5.114 -0.788 1.00 0.00 C ATOM 0 H PHE A 40 10.366 -7.889 5.206 1.00 0.00 H new ATOM 0 HA PHE A 40 11.876 -6.113 3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.753 -8.188 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.218 -7.653 3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.936 -6.259 1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.748 -6.646 1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.492 -5.000 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.306 -5.386 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.174 -4.557 -1.692 1.00 0.00 H new ATOM 641 N SER A 41 8.913 -5.240 4.564 1.00 0.00 N ATOM 642 CA SER A 41 8.069 -4.038 4.802 1.00 0.00 C ATOM 643 C SER A 41 8.861 -2.977 5.534 1.00 0.00 C ATOM 644 O SER A 41 8.602 -1.816 5.384 1.00 0.00 O ATOM 645 CB SER A 41 6.861 -4.453 5.662 1.00 0.00 C ATOM 646 OG SER A 41 7.421 -5.271 6.676 1.00 0.00 O ATOM 0 H SER A 41 8.509 -6.125 4.870 1.00 0.00 H new ATOM 0 HA SER A 41 7.737 -3.631 3.847 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.356 -3.585 6.085 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.122 -4.997 5.074 1.00 0.00 H new ATOM 0 HG SER A 41 6.711 -5.580 7.276 1.00 0.00 H new ATOM 652 N LYS A 42 9.804 -3.391 6.342 1.00 0.00 N ATOM 653 CA LYS A 42 10.601 -2.384 7.066 1.00 0.00 C ATOM 654 C LYS A 42 11.262 -1.476 6.037 1.00 0.00 C ATOM 655 O LYS A 42 11.455 -0.296 6.258 1.00 0.00 O ATOM 656 CB LYS A 42 11.694 -3.111 7.885 1.00 0.00 C ATOM 657 CG LYS A 42 11.104 -3.578 9.216 1.00 0.00 C ATOM 658 CD LYS A 42 9.920 -4.509 8.943 1.00 0.00 C ATOM 659 CE LYS A 42 9.518 -5.200 10.244 1.00 0.00 C ATOM 660 NZ LYS A 42 8.477 -6.234 9.985 1.00 0.00 N ATOM 0 H LYS A 42 10.046 -4.365 6.523 1.00 0.00 H new ATOM 0 HA LYS A 42 9.971 -1.799 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.077 -3.964 7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.536 -2.442 8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.863 -4.097 9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.779 -2.720 9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.080 -3.941 8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.190 -5.251 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.392 -5.662 10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.139 -4.463 10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.586 -5.951 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.327 -6.327 8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.790 -7.147 10.373 1.00 0.00 H new ATOM 674 N LYS A 43 11.587 -2.071 4.922 1.00 0.00 N ATOM 675 CA LYS A 43 12.228 -1.328 3.838 1.00 0.00 C ATOM 676 C LYS A 43 11.214 -0.430 3.112 1.00 0.00 C ATOM 677 O LYS A 43 11.435 0.758 2.954 1.00 0.00 O ATOM 678 CB LYS A 43 12.791 -2.372 2.842 1.00 0.00 C ATOM 679 CG LYS A 43 14.003 -1.785 2.102 1.00 0.00 C ATOM 680 CD LYS A 43 15.255 -1.802 3.019 1.00 0.00 C ATOM 681 CE LYS A 43 16.517 -1.808 2.149 1.00 0.00 C ATOM 682 NZ LYS A 43 17.740 -1.725 2.995 1.00 0.00 N ATOM 0 H LYS A 43 11.426 -3.059 4.728 1.00 0.00 H new ATOM 0 HA LYS A 43 13.014 -0.688 4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.082 -3.277 3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.020 -2.658 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.199 -2.361 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.787 -0.763 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.254 -0.930 3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.238 -2.682 3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.546 -2.717 1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.491 -0.967 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.584 -1.730 2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.719 -0.846 3.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.772 -2.541 3.639 1.00 0.00 H new ATOM 696 N CYS A 44 10.113 -1.015 2.686 1.00 0.00 N ATOM 697 CA CYS A 44 9.101 -0.211 1.982 1.00 0.00 C ATOM 698 C CYS A 44 8.637 0.939 2.850 1.00 0.00 C ATOM 699 O CYS A 44 8.356 2.018 2.365 1.00 0.00 O ATOM 700 CB CYS A 44 7.928 -1.117 1.661 1.00 0.00 C ATOM 701 SG CYS A 44 8.301 -2.665 0.804 1.00 0.00 S ATOM 0 H CYS A 44 9.889 -2.003 2.802 1.00 0.00 H new ATOM 0 HA CYS A 44 9.527 0.206 1.070 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.421 -1.360 2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.221 -0.554 1.052 1.00 0.00 H new ATOM 0 HG CYS A 44 8.092 -3.666 1.606 1.00 0.00 H new ATOM 707 N SER A 45 8.558 0.687 4.116 1.00 0.00 N ATOM 708 CA SER A 45 8.115 1.763 5.046 1.00 0.00 C ATOM 709 C SER A 45 9.029 2.959 4.903 1.00 0.00 C ATOM 710 O SER A 45 8.582 4.075 4.730 1.00 0.00 O ATOM 711 CB SER A 45 8.218 1.248 6.498 1.00 0.00 C ATOM 712 OG SER A 45 7.840 2.366 7.289 1.00 0.00 O ATOM 0 H SER A 45 8.778 -0.209 4.552 1.00 0.00 H new ATOM 0 HA SER A 45 7.088 2.044 4.811 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.557 0.398 6.667 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.230 0.917 6.733 1.00 0.00 H new ATOM 0 HG SER A 45 7.877 2.123 8.238 1.00 0.00 H new ATOM 718 N GLU A 46 10.300 2.703 4.971 1.00 0.00 N ATOM 719 CA GLU A 46 11.271 3.800 4.842 1.00 0.00 C ATOM 720 C GLU A 46 11.152 4.450 3.466 1.00 0.00 C ATOM 721 O GLU A 46 11.688 5.519 3.239 1.00 0.00 O ATOM 722 CB GLU A 46 12.689 3.207 5.016 1.00 0.00 C ATOM 723 CG GLU A 46 13.649 4.306 5.479 1.00 0.00 C ATOM 724 CD GLU A 46 15.068 3.738 5.554 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.169 2.577 5.916 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.971 4.497 5.247 1.00 0.00 O ATOM 0 H GLU A 46 10.703 1.777 5.111 1.00 0.00 H new ATOM 0 HA GLU A 46 11.078 4.560 5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.669 2.396 5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.034 2.781 4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.618 5.148 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.344 4.684 6.455 1.00 0.00 H new ATOM 733 N ARG A 47 10.440 3.769 2.574 1.00 0.00 N ATOM 734 CA ARG A 47 10.239 4.286 1.182 1.00 0.00 C ATOM 735 C ARG A 47 8.842 4.910 1.014 1.00 0.00 C ATOM 736 O ARG A 47 8.561 5.535 0.009 1.00 0.00 O ATOM 737 CB ARG A 47 10.378 3.090 0.208 1.00 0.00 C ATOM 738 CG ARG A 47 10.781 3.607 -1.181 1.00 0.00 C ATOM 739 CD ARG A 47 11.014 2.416 -2.110 1.00 0.00 C ATOM 740 NE ARG A 47 11.998 1.495 -1.476 1.00 0.00 N ATOM 741 CZ ARG A 47 12.332 0.393 -2.087 1.00 0.00 C ATOM 742 NH1 ARG A 47 11.788 0.121 -3.243 1.00 0.00 N ATOM 743 NH2 ARG A 47 13.202 -0.399 -1.525 1.00 0.00 N ATOM 0 H ARG A 47 9.991 2.873 2.763 1.00 0.00 H new ATOM 0 HA ARG A 47 10.980 5.058 0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.127 2.390 0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.436 2.546 0.146 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.999 4.251 -1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.686 4.211 -1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.075 1.894 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.386 2.758 -3.076 1.00 0.00 H new ATOM 0 HE ARG A 47 12.407 1.725 -0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.113 0.766 -3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.038 -0.737 -3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.609 -0.152 -0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.476 -1.266 -1.988 1.00 0.00 H new ATOM 757 N TRP A 48 7.996 4.706 2.011 1.00 0.00 N ATOM 758 CA TRP A 48 6.590 5.262 1.977 1.00 0.00 C ATOM 759 C TRP A 48 6.471 6.508 2.868 1.00 0.00 C ATOM 760 O TRP A 48 6.115 7.574 2.400 1.00 0.00 O ATOM 761 CB TRP A 48 5.675 4.129 2.501 1.00 0.00 C ATOM 762 CG TRP A 48 4.353 4.653 3.071 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.143 4.819 4.352 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.239 4.799 2.391 1.00 0.00 C ATOM 765 NE1 TRP A 48 2.824 5.057 4.440 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.174 5.057 3.230 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.036 4.708 1.038 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.906 5.208 2.719 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.758 4.868 0.522 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.694 5.115 1.370 1.00 0.00 C ATOM 0 H TRP A 48 8.221 4.175 2.852 1.00 0.00 H new ATOM 0 HA TRP A 48 6.311 5.571 0.970 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.465 3.432 1.689 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.203 3.569 3.273 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.865 4.775 5.154 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.347 5.223 5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.867 4.513 0.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.076 5.400 3.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.594 4.800 -0.543 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.302 5.234 0.969 1.00 0.00 H new ATOM 781 N LYS A 49 6.763 6.335 4.126 1.00 0.00 N ATOM 782 CA LYS A 49 6.681 7.501 5.095 1.00 0.00 C ATOM 783 C LYS A 49 7.404 8.735 4.542 1.00 0.00 C ATOM 784 O LYS A 49 7.205 9.840 5.010 1.00 0.00 O ATOM 785 CB LYS A 49 7.414 7.127 6.414 1.00 0.00 C ATOM 786 CG LYS A 49 6.896 5.804 6.985 1.00 0.00 C ATOM 787 CD LYS A 49 5.526 6.026 7.642 1.00 0.00 C ATOM 788 CE LYS A 49 5.116 4.750 8.383 1.00 0.00 C ATOM 789 NZ LYS A 49 3.835 4.959 9.112 1.00 0.00 N ATOM 0 H LYS A 49 7.055 5.449 4.538 1.00 0.00 H new ATOM 0 HA LYS A 49 5.625 7.717 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.485 7.050 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.274 7.921 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.814 5.062 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.602 5.411 7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.573 6.866 8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.782 6.278 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.008 3.929 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.898 4.463 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.572 4.084 9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.950 5.728 9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.087 5.211 8.435 1.00 0.00 H new ATOM 803 N THR A 50 8.220 8.510 3.554 1.00 0.00 N ATOM 804 CA THR A 50 8.991 9.618 2.928 1.00 0.00 C ATOM 805 C THR A 50 8.217 10.370 1.843 1.00 0.00 C ATOM 806 O THR A 50 8.297 11.580 1.751 1.00 0.00 O ATOM 807 CB THR A 50 10.233 8.970 2.291 1.00 0.00 C ATOM 808 OG1 THR A 50 10.603 9.789 1.189 1.00 0.00 O ATOM 809 CG2 THR A 50 9.849 7.623 1.671 1.00 0.00 C ATOM 0 H THR A 50 8.389 7.590 3.147 1.00 0.00 H new ATOM 0 HA THR A 50 9.228 10.355 3.695 1.00 0.00 H new ATOM 0 HB THR A 50 11.015 8.855 3.042 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.395 9.412 0.753 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.730 7.166 1.220 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.455 6.965 2.445 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.089 7.778 0.905 1.00 0.00 H new ATOM 817 N MET A 51 7.499 9.653 1.045 1.00 0.00 N ATOM 818 CA MET A 51 6.728 10.316 -0.031 1.00 0.00 C ATOM 819 C MET A 51 5.796 11.386 0.507 1.00 0.00 C ATOM 820 O MET A 51 5.614 11.512 1.703 1.00 0.00 O ATOM 821 CB MET A 51 5.905 9.256 -0.769 1.00 0.00 C ATOM 822 CG MET A 51 6.831 8.127 -1.224 1.00 0.00 C ATOM 823 SD MET A 51 6.185 6.954 -2.443 1.00 0.00 S ATOM 824 CE MET A 51 4.587 6.657 -1.650 1.00 0.00 C ATOM 0 H MET A 51 7.410 8.638 1.088 1.00 0.00 H new ATOM 0 HA MET A 51 7.435 10.803 -0.703 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.126 8.863 -0.115 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.404 9.701 -1.629 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.733 8.578 -1.637 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.132 7.563 -0.341 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.056 5.870 -2.185 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.745 6.350 -0.616 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.995 7.572 -1.670 1.00 0.00 H new ATOM 834 N SER A 52 5.209 12.134 -0.408 1.00 0.00 N ATOM 835 CA SER A 52 4.269 13.220 -0.009 1.00 0.00 C ATOM 836 C SER A 52 2.856 12.686 0.015 1.00 0.00 C ATOM 837 O SER A 52 2.580 11.657 -0.569 1.00 0.00 O ATOM 838 CB SER A 52 4.358 14.340 -1.062 1.00 0.00 C ATOM 839 OG SER A 52 3.677 15.435 -0.467 1.00 0.00 O ATOM 0 H SER A 52 5.347 12.032 -1.414 1.00 0.00 H new ATOM 0 HA SER A 52 4.530 13.595 0.981 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.394 14.592 -1.289 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.890 14.042 -2.000 1.00 0.00 H new ATOM 0 HG SER A 52 3.825 16.242 -1.003 1.00 0.00 H new ATOM 845 N ALA A 53 1.981 13.373 0.690 1.00 0.00 N ATOM 846 CA ALA A 53 0.598 12.888 0.735 1.00 0.00 C ATOM 847 C ALA A 53 0.044 12.764 -0.670 1.00 0.00 C ATOM 848 O ALA A 53 -0.910 12.050 -0.905 1.00 0.00 O ATOM 849 CB ALA A 53 -0.250 13.875 1.521 1.00 0.00 C ATOM 0 H ALA A 53 2.169 14.235 1.202 1.00 0.00 H new ATOM 0 HA ALA A 53 0.576 11.910 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.280 13.521 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.140 13.963 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.219 14.850 1.034 1.00 0.00 H new ATOM 855 N LYS A 54 0.658 13.469 -1.585 1.00 0.00 N ATOM 856 CA LYS A 54 0.183 13.402 -2.983 1.00 0.00 C ATOM 857 C LYS A 54 0.299 11.980 -3.488 1.00 0.00 C ATOM 858 O LYS A 54 -0.676 11.378 -3.918 1.00 0.00 O ATOM 859 CB LYS A 54 1.079 14.298 -3.852 1.00 0.00 C ATOM 860 CG LYS A 54 1.139 15.703 -3.252 1.00 0.00 C ATOM 861 CD LYS A 54 2.055 16.572 -4.120 1.00 0.00 C ATOM 862 CE LYS A 54 2.391 17.857 -3.366 1.00 0.00 C ATOM 863 NZ LYS A 54 1.153 18.635 -3.082 1.00 0.00 N ATOM 0 H LYS A 54 1.458 14.079 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.855 13.731 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.082 13.875 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.689 14.343 -4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.140 16.137 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.516 15.661 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.969 16.029 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.564 16.808 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.898 17.615 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.080 18.462 -3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.409 19.589 -2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.582 18.707 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.602 18.153 -2.343 1.00 0.00 H new ATOM 877 N GLU A 55 1.492 11.452 -3.418 1.00 0.00 N ATOM 878 CA GLU A 55 1.685 10.076 -3.886 1.00 0.00 C ATOM 879 C GLU A 55 0.907 9.128 -2.999 1.00 0.00 C ATOM 880 O GLU A 55 0.173 8.284 -3.473 1.00 0.00 O ATOM 881 CB GLU A 55 3.178 9.739 -3.799 1.00 0.00 C ATOM 882 CG GLU A 55 3.995 10.898 -4.384 1.00 0.00 C ATOM 883 CD GLU A 55 3.517 11.190 -5.808 1.00 0.00 C ATOM 884 OE1 GLU A 55 2.606 11.995 -5.919 1.00 0.00 O ATOM 885 OE2 GLU A 55 4.085 10.589 -6.704 1.00 0.00 O ATOM 0 H GLU A 55 2.325 11.919 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 55 1.334 9.977 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.463 9.565 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.387 8.819 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.883 11.786 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.055 10.644 -4.389 1.00 0.00 H new ATOM 892 N LYS A 56 1.056 9.298 -1.714 1.00 0.00 N ATOM 893 CA LYS A 56 0.329 8.412 -0.801 1.00 0.00 C ATOM 894 C LYS A 56 -1.150 8.698 -0.934 1.00 0.00 C ATOM 895 O LYS A 56 -1.969 8.062 -0.313 1.00 0.00 O ATOM 896 CB LYS A 56 0.775 8.703 0.643 1.00 0.00 C ATOM 897 CG LYS A 56 2.325 8.626 0.730 1.00 0.00 C ATOM 898 CD LYS A 56 2.842 9.314 2.040 1.00 0.00 C ATOM 899 CE LYS A 56 3.050 8.274 3.151 1.00 0.00 C ATOM 900 NZ LYS A 56 1.740 7.760 3.645 1.00 0.00 N ATOM 0 H LYS A 56 1.644 10.006 -1.274 1.00 0.00 H new ATOM 0 HA LYS A 56 0.533 7.369 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.431 9.691 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.325 7.983 1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.644 7.584 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.767 9.111 -0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.780 9.832 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.126 10.067 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.652 7.447 2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.605 8.722 3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.702 7.844 4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.968 8.316 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.635 6.761 3.375 1.00 0.00 H new ATOM 914 N GLY A 57 -1.446 9.673 -1.766 1.00 0.00 N ATOM 915 CA GLY A 57 -2.866 10.070 -2.003 1.00 0.00 C ATOM 916 C GLY A 57 -3.570 9.082 -2.939 1.00 0.00 C ATOM 917 O GLY A 57 -4.665 8.642 -2.657 1.00 0.00 O ATOM 0 H GLY A 57 -0.757 10.211 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.397 10.115 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.899 11.070 -2.435 1.00 0.00 H new ATOM 921 N LYS A 58 -2.949 8.759 -4.048 1.00 0.00 N ATOM 922 CA LYS A 58 -3.614 7.804 -4.963 1.00 0.00 C ATOM 923 C LYS A 58 -3.630 6.427 -4.331 1.00 0.00 C ATOM 924 O LYS A 58 -4.423 5.579 -4.684 1.00 0.00 O ATOM 925 CB LYS A 58 -2.839 7.745 -6.281 1.00 0.00 C ATOM 926 CG LYS A 58 -1.333 7.497 -5.991 1.00 0.00 C ATOM 927 CD LYS A 58 -0.739 6.667 -7.112 1.00 0.00 C ATOM 928 CE LYS A 58 0.772 6.630 -6.961 1.00 0.00 C ATOM 929 NZ LYS A 58 1.396 5.977 -8.147 1.00 0.00 N ATOM 0 H LYS A 58 -2.038 9.107 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.637 8.131 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.234 6.948 -6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.965 8.678 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.805 8.447 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.214 6.981 -5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.144 5.655 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.009 7.093 -8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.158 7.643 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.040 6.086 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.429 5.959 -8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.040 5.004 -8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.154 6.512 -9.005 1.00 0.00 H new ATOM 943 N PHE A 59 -2.737 6.240 -3.403 1.00 0.00 N ATOM 944 CA PHE A 59 -2.657 4.933 -2.709 1.00 0.00 C ATOM 945 C PHE A 59 -3.757 4.904 -1.687 1.00 0.00 C ATOM 946 O PHE A 59 -4.236 3.861 -1.292 1.00 0.00 O ATOM 947 CB PHE A 59 -1.289 4.824 -1.986 1.00 0.00 C ATOM 948 CG PHE A 59 -0.224 4.287 -2.957 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.355 3.033 -3.515 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.890 5.046 -3.277 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.604 2.546 -4.374 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.846 4.557 -4.135 1.00 0.00 C ATOM 953 CZ PHE A 59 1.704 3.307 -4.683 1.00 0.00 C ATOM 0 H PHE A 59 -2.059 6.938 -3.096 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.756 4.108 -3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.989 5.801 -1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.375 4.162 -1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.217 2.428 -3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.008 6.030 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.491 1.563 -4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.710 5.157 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.456 2.923 -5.356 1.00 0.00 H new ATOM 963 N GLU A 60 -4.139 6.083 -1.276 1.00 0.00 N ATOM 964 CA GLU A 60 -5.206 6.199 -0.283 1.00 0.00 C ATOM 965 C GLU A 60 -6.503 5.914 -0.983 1.00 0.00 C ATOM 966 O GLU A 60 -7.458 5.474 -0.388 1.00 0.00 O ATOM 967 CB GLU A 60 -5.200 7.667 0.270 1.00 0.00 C ATOM 968 CG GLU A 60 -4.920 7.667 1.776 1.00 0.00 C ATOM 969 CD GLU A 60 -6.065 6.956 2.501 1.00 0.00 C ATOM 970 OE1 GLU A 60 -7.194 7.326 2.226 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.745 6.080 3.289 1.00 0.00 O ATOM 0 H GLU A 60 -3.746 6.968 -1.597 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.070 5.503 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.442 8.255 -0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.161 8.141 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.975 7.164 1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.823 8.690 2.140 1.00 0.00 H new ATOM 978 N ASP A 61 -6.499 6.168 -2.255 1.00 0.00 N ATOM 979 CA ASP A 61 -7.717 5.925 -3.043 1.00 0.00 C ATOM 980 C ASP A 61 -7.921 4.434 -3.218 1.00 0.00 C ATOM 981 O ASP A 61 -9.037 3.957 -3.232 1.00 0.00 O ATOM 982 CB ASP A 61 -7.537 6.585 -4.418 1.00 0.00 C ATOM 983 CG ASP A 61 -8.895 6.695 -5.108 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.265 5.714 -5.733 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.487 7.753 -4.974 1.00 0.00 O ATOM 0 H ASP A 61 -5.703 6.533 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.586 6.342 -2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.093 7.574 -4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.852 5.997 -5.029 1.00 0.00 H new ATOM 990 N MET A 62 -6.838 3.717 -3.363 1.00 0.00 N ATOM 991 CA MET A 62 -6.963 2.264 -3.532 1.00 0.00 C ATOM 992 C MET A 62 -7.382 1.654 -2.217 1.00 0.00 C ATOM 993 O MET A 62 -8.308 0.878 -2.164 1.00 0.00 O ATOM 994 CB MET A 62 -5.603 1.684 -3.980 1.00 0.00 C ATOM 995 CG MET A 62 -5.301 2.137 -5.429 1.00 0.00 C ATOM 996 SD MET A 62 -4.058 1.204 -6.356 1.00 0.00 S ATOM 997 CE MET A 62 -2.656 1.572 -5.282 1.00 0.00 C ATOM 0 H MET A 62 -5.886 4.082 -3.370 1.00 0.00 H new ATOM 0 HA MET A 62 -7.712 2.035 -4.290 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.813 2.022 -3.310 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.624 0.596 -3.925 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.234 2.106 -5.992 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.983 3.179 -5.396 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.758 1.101 -5.682 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.509 2.651 -5.233 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.853 1.187 -4.282 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.689 2.007 -1.169 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.057 1.447 0.145 1.00 0.00 C ATOM 1009 C ALA A 63 -8.500 1.839 0.460 1.00 0.00 C ATOM 1010 O ALA A 63 -9.205 1.132 1.151 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.100 2.027 1.220 1.00 0.00 C ATOM 0 H ALA A 63 -5.897 2.650 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.973 0.360 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.361 1.621 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.073 1.755 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.193 3.113 1.242 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.909 2.974 -0.063 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.288 3.431 0.185 1.00 0.00 C ATOM 1019 C LYS A 64 -11.242 2.599 -0.654 1.00 0.00 C ATOM 1020 O LYS A 64 -12.383 2.386 -0.291 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.398 4.918 -0.219 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.863 5.379 -0.128 1.00 0.00 C ATOM 1023 CD LYS A 64 -11.938 6.911 -0.357 1.00 0.00 C ATOM 1024 CE LYS A 64 -11.707 7.660 0.973 1.00 0.00 C ATOM 1025 NZ LYS A 64 -12.992 7.818 1.711 1.00 0.00 N ATOM 0 H LYS A 64 -8.341 3.590 -0.645 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.542 3.319 1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.774 5.528 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.027 5.056 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.466 4.859 -0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.275 5.126 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.189 7.214 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.911 7.177 -0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.993 7.112 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.271 8.639 0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.820 8.324 2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.662 8.360 1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.392 6.880 1.916 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.752 2.134 -1.775 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.602 1.321 -2.642 1.00 0.00 C ATOM 1041 C ALA A 65 -11.792 -0.031 -2.017 1.00 0.00 C ATOM 1042 O ALA A 65 -12.881 -0.558 -1.979 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.913 1.158 -4.007 1.00 0.00 C ATOM 0 H ALA A 65 -9.802 2.291 -2.111 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.571 1.804 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.540 0.552 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.760 2.139 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.949 0.667 -3.872 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.720 -0.563 -1.523 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.799 -1.881 -0.888 1.00 0.00 C ATOM 1051 C ASP A 66 -11.714 -1.791 0.318 1.00 0.00 C ATOM 1052 O ASP A 66 -12.409 -2.728 0.650 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.380 -2.294 -0.438 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.322 -3.816 -0.268 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -10.370 -4.369 0.019 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.232 -4.337 -0.439 1.00 0.00 O ATOM 0 H ASP A 66 -9.794 -0.136 -1.535 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.193 -2.620 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.645 -1.971 -1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.127 -1.802 0.501 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.692 -0.647 0.956 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.550 -0.461 2.139 1.00 0.00 C ATOM 1063 C LYS A 67 -13.999 -0.743 1.773 1.00 0.00 C ATOM 1064 O LYS A 67 -14.733 -1.332 2.541 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.422 1.001 2.617 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.897 1.097 4.068 1.00 0.00 C ATOM 1067 CD LYS A 67 -12.680 2.527 4.567 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.362 2.699 5.924 1.00 0.00 C ATOM 1069 NZ LYS A 67 -14.812 2.370 5.822 1.00 0.00 N ATOM 0 H LYS A 67 -11.116 0.155 0.701 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.241 -1.145 2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.387 1.333 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.017 1.658 1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.951 0.829 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.347 0.392 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.614 2.736 4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.087 3.240 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.887 2.052 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.239 3.724 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.332 2.855 6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.175 2.683 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.942 1.342 5.915 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.390 -0.311 0.598 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.783 -0.549 0.170 1.00 0.00 C ATOM 1085 C ALA A 68 -15.999 -2.011 -0.191 1.00 0.00 C ATOM 1086 O ALA A 68 -17.075 -2.545 -0.011 1.00 0.00 O ATOM 1087 CB ALA A 68 -16.076 0.320 -1.064 1.00 0.00 C ATOM 0 H ALA A 68 -13.804 0.190 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.452 -0.292 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -17.102 0.154 -1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.942 1.371 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.391 0.052 -1.869 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.972 -2.631 -0.693 1.00 0.00 N ATOM 1094 CA ARG A 69 -15.104 -4.062 -1.070 1.00 0.00 C ATOM 1095 C ARG A 69 -15.220 -4.918 0.183 1.00 0.00 C ATOM 1096 O ARG A 69 -15.867 -5.944 0.184 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.844 -4.495 -1.843 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.763 -3.729 -3.174 1.00 0.00 C ATOM 1099 CD ARG A 69 -14.968 -4.088 -4.070 1.00 0.00 C ATOM 1100 NE ARG A 69 -16.049 -3.087 -3.841 1.00 0.00 N ATOM 1101 CZ ARG A 69 -17.171 -3.194 -4.498 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -17.321 -4.181 -5.338 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -18.103 -2.302 -4.300 1.00 0.00 N ATOM 0 H ARG A 69 -14.056 -2.214 -0.858 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.994 -4.190 -1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.954 -4.299 -1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.872 -5.568 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.749 -2.656 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.833 -3.974 -3.687 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.671 -4.091 -5.119 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.326 -5.091 -3.838 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.913 -2.325 -3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.567 -4.855 -5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -18.192 -4.279 -5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.947 -1.539 -3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.987 -2.368 -4.804 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.584 -4.468 1.231 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.629 -5.223 2.505 1.00 0.00 C ATOM 1119 C TYR A 70 -16.033 -5.208 3.083 1.00 0.00 C ATOM 1120 O TYR A 70 -16.504 -6.198 3.605 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.668 -4.532 3.491 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.771 -5.178 4.885 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -14.820 -4.866 5.732 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.806 -6.064 5.320 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -14.897 -5.431 6.991 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -12.887 -6.627 6.580 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.932 -6.314 7.422 1.00 0.00 C ATOM 1128 OH TYR A 70 -14.007 -6.875 8.680 1.00 0.00 O ATOM 0 H TYR A 70 -14.036 -3.608 1.255 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.339 -6.260 2.333 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.645 -4.607 3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.906 -3.470 3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.584 -4.176 5.407 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.981 -6.319 4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.721 -5.178 7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.125 -7.318 6.907 1.00 0.00 H new ATOM 0 HH TYR A 70 -14.060 -7.850 8.601 1.00 0.00 H new ATOM 1138 N GLU A 71 -16.678 -4.078 2.980 1.00 0.00 N ATOM 1139 CA GLU A 71 -18.045 -3.974 3.515 1.00 0.00 C ATOM 1140 C GLU A 71 -19.031 -4.700 2.614 1.00 0.00 C ATOM 1141 O GLU A 71 -19.953 -5.339 3.081 1.00 0.00 O ATOM 1142 CB GLU A 71 -18.418 -2.485 3.563 1.00 0.00 C ATOM 1143 CG GLU A 71 -17.456 -1.751 4.513 1.00 0.00 C ATOM 1144 CD GLU A 71 -17.910 -1.953 5.963 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -18.918 -1.353 6.304 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -17.225 -2.693 6.648 1.00 0.00 O ATOM 0 H GLU A 71 -16.310 -3.230 2.548 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.085 -4.426 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.362 -2.052 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.446 -2.367 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -16.442 -2.129 4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.433 -0.688 4.273 1.00 0.00 H new ATOM 1153 N ARG A 72 -18.818 -4.587 1.336 1.00 0.00 N ATOM 1154 CA ARG A 72 -19.731 -5.263 0.381 1.00 0.00 C ATOM 1155 C ARG A 72 -19.690 -6.776 0.561 1.00 0.00 C ATOM 1156 O ARG A 72 -20.611 -7.474 0.175 1.00 0.00 O ATOM 1157 CB ARG A 72 -19.280 -4.914 -1.050 1.00 0.00 C ATOM 1158 CG ARG A 72 -20.243 -5.563 -2.057 1.00 0.00 C ATOM 1159 CD ARG A 72 -20.069 -4.903 -3.432 1.00 0.00 C ATOM 1160 NE ARG A 72 -21.134 -5.406 -4.346 1.00 0.00 N ATOM 1161 CZ ARG A 72 -21.046 -6.615 -4.832 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -20.022 -7.355 -4.504 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -21.989 -7.045 -5.625 1.00 0.00 N ATOM 0 H ARG A 72 -18.055 -4.058 0.913 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.751 -4.924 0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.267 -3.833 -1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -18.264 -5.269 -1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -20.045 -6.633 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -21.272 -5.451 -1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -20.132 -3.819 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -19.084 -5.132 -3.838 1.00 0.00 H new ATOM 0 HE ARG A 72 -21.925 -4.810 -4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.306 -6.987 -3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.937 -8.302 -4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -22.777 -6.440 -5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.938 -7.986 -6.015 1.00 0.00 H new ATOM 1177 N GLU A 73 -18.622 -7.252 1.152 1.00 0.00 N ATOM 1178 CA GLU A 73 -18.475 -8.725 1.380 1.00 0.00 C ATOM 1179 C GLU A 73 -19.124 -9.150 2.697 1.00 0.00 C ATOM 1180 O GLU A 73 -19.673 -10.224 2.798 1.00 0.00 O ATOM 1181 CB GLU A 73 -16.968 -9.051 1.445 1.00 0.00 C ATOM 1182 CG GLU A 73 -16.401 -9.072 0.026 1.00 0.00 C ATOM 1183 CD GLU A 73 -14.872 -9.070 0.090 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -14.351 -10.041 0.614 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -14.312 -8.099 -0.390 1.00 0.00 O ATOM 0 H GLU A 73 -17.844 -6.684 1.487 1.00 0.00 H new ATOM 0 HA GLU A 73 -18.966 -9.260 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.448 -8.306 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.812 -10.016 1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.753 -9.957 -0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.754 -8.204 -0.531 1.00 0.00 H new ATOM 1192 N MET A 74 -19.039 -8.301 3.683 1.00 0.00 N ATOM 1193 CA MET A 74 -19.643 -8.639 4.996 1.00 0.00 C ATOM 1194 C MET A 74 -21.112 -9.026 4.850 1.00 0.00 C ATOM 1195 O MET A 74 -21.723 -9.506 5.786 1.00 0.00 O ATOM 1196 CB MET A 74 -19.545 -7.395 5.908 1.00 0.00 C ATOM 1197 CG MET A 74 -18.068 -7.164 6.352 1.00 0.00 C ATOM 1198 SD MET A 74 -17.606 -7.710 8.021 1.00 0.00 S ATOM 1199 CE MET A 74 -17.628 -9.499 7.717 1.00 0.00 C ATOM 0 H MET A 74 -18.579 -7.392 3.634 1.00 0.00 H new ATOM 0 HA MET A 74 -19.107 -9.488 5.421 1.00 0.00 H new ATOM 0 HB2 MET A 74 -19.914 -6.517 5.378 1.00 0.00 H new ATOM 0 HB3 MET A 74 -20.179 -7.528 6.785 1.00 0.00 H new ATOM 0 HG2 MET A 74 -17.418 -7.671 5.639 1.00 0.00 H new ATOM 0 HG3 MET A 74 -17.855 -6.098 6.275 1.00 0.00 H new ATOM 0 HE1 MET A 74 -17.029 -10.004 8.474 1.00 0.00 H new ATOM 0 HE2 MET A 74 -18.654 -9.863 7.764 1.00 0.00 H new ATOM 0 HE3 MET A 74 -17.214 -9.705 6.730 1.00 0.00 H new ATOM 1209 N LYS A 75 -21.645 -8.812 3.669 1.00 0.00 N ATOM 1210 CA LYS A 75 -23.066 -9.149 3.413 1.00 0.00 C ATOM 1211 C LYS A 75 -23.224 -10.605 2.990 1.00 0.00 C ATOM 1212 O LYS A 75 -24.206 -10.964 2.368 1.00 0.00 O ATOM 1213 CB LYS A 75 -23.576 -8.249 2.272 1.00 0.00 C ATOM 1214 CG LYS A 75 -23.493 -6.780 2.712 1.00 0.00 C ATOM 1215 CD LYS A 75 -24.349 -5.918 1.771 1.00 0.00 C ATOM 1216 CE LYS A 75 -23.834 -6.061 0.332 1.00 0.00 C ATOM 1217 NZ LYS A 75 -24.282 -4.906 -0.496 1.00 0.00 N ATOM 0 H LYS A 75 -21.146 -8.416 2.872 1.00 0.00 H new ATOM 0 HA LYS A 75 -23.634 -8.993 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -22.979 -8.406 1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -24.604 -8.508 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -23.844 -6.676 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -22.457 -6.441 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -25.393 -6.227 1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -24.309 -4.874 2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -22.745 -6.116 0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -24.200 -6.992 -0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -23.926 -5.016 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -25.321 -4.871 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -23.912 -4.023 -0.090 1.00 0.00 H new ATOM 1231 N THR A 76 -22.243 -11.423 3.330 1.00 0.00 N ATOM 1232 CA THR A 76 -22.319 -12.873 2.950 1.00 0.00 C ATOM 1233 C THR A 76 -21.519 -13.760 3.915 1.00 0.00 C ATOM 1234 O THR A 76 -21.511 -14.966 3.774 1.00 0.00 O ATOM 1235 CB THR A 76 -21.768 -13.031 1.511 1.00 0.00 C ATOM 1236 OG1 THR A 76 -22.267 -14.272 1.056 1.00 0.00 O ATOM 1237 CG2 THR A 76 -20.230 -13.201 1.491 1.00 0.00 C ATOM 0 H THR A 76 -21.407 -11.150 3.847 1.00 0.00 H new ATOM 0 HA THR A 76 -23.359 -13.194 3.003 1.00 0.00 H new ATOM 0 HB THR A 76 -22.049 -12.156 0.925 1.00 0.00 H new ATOM 0 HG1 THR A 76 -22.347 -14.890 1.813 1.00 0.00 H new ATOM 0 HG21 THR A 76 -19.889 -13.308 0.461 1.00 0.00 H new ATOM 0 HG22 THR A 76 -19.761 -12.325 1.939 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.955 -14.090 2.059 1.00 0.00 H new ATOM 1245 N TYR A 77 -20.856 -13.152 4.868 1.00 0.00 N ATOM 1246 CA TYR A 77 -20.069 -13.964 5.824 1.00 0.00 C ATOM 1247 C TYR A 77 -21.050 -14.666 6.762 1.00 0.00 C ATOM 1248 O TYR A 77 -21.691 -15.609 6.371 1.00 0.00 O ATOM 1249 CB TYR A 77 -19.154 -13.002 6.623 1.00 0.00 C ATOM 1250 CG TYR A 77 -18.539 -13.697 7.865 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -18.309 -15.069 7.906 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -18.189 -12.937 8.965 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -17.744 -15.649 9.025 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -17.624 -13.524 10.078 1.00 0.00 C ATOM 1255 CZ TYR A 77 -17.397 -14.882 10.116 1.00 0.00 C ATOM 1256 OH TYR A 77 -16.841 -15.467 11.234 1.00 0.00 O ATOM 0 H TYR A 77 -20.830 -12.143 5.018 1.00 0.00 H new ATOM 0 HA TYR A 77 -19.457 -14.709 5.316 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -18.355 -12.638 5.977 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -19.729 -12.132 6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -18.574 -15.684 7.058 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -18.360 -11.871 8.953 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -17.572 -16.715 9.045 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.357 -12.913 10.928 1.00 0.00 H new ATOM 0 HH TYR A 77 -16.549 -14.769 11.857 1.00 0.00 H new ATOM 1266 N ILE A 78 -21.138 -14.175 7.972 1.00 0.00 N ATOM 1267 CA ILE A 78 -22.081 -14.777 8.999 1.00 0.00 C ATOM 1268 C ILE A 78 -22.050 -16.350 9.049 1.00 0.00 C ATOM 1269 O ILE A 78 -22.727 -17.004 8.280 1.00 0.00 O ATOM 1270 CB ILE A 78 -23.494 -14.342 8.584 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -23.595 -12.786 8.573 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -24.514 -14.909 9.607 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -24.618 -12.343 7.517 1.00 0.00 C ATOM 0 H ILE A 78 -20.598 -13.377 8.307 1.00 0.00 H new ATOM 0 HA ILE A 78 -21.779 -14.432 9.988 1.00 0.00 H new ATOM 0 HB ILE A 78 -23.709 -14.720 7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -23.893 -12.424 9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -22.620 -12.350 8.355 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -25.522 -14.606 9.322 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -24.452 -15.997 9.618 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -24.286 -14.522 10.600 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -24.687 -11.255 7.511 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -24.301 -12.692 6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -25.593 -12.767 7.755 1.00 0.00 H new ATOM 1285 N PRO A 79 -21.307 -16.934 10.001 1.00 0.00 N ATOM 1286 CA PRO A 79 -21.238 -18.397 10.096 1.00 0.00 C ATOM 1287 C PRO A 79 -22.628 -19.001 10.461 1.00 0.00 C ATOM 1288 O PRO A 79 -23.481 -18.311 10.984 1.00 0.00 O ATOM 1289 CB PRO A 79 -20.202 -18.679 11.232 1.00 0.00 C ATOM 1290 CG PRO A 79 -19.712 -17.288 11.764 1.00 0.00 C ATOM 1291 CD PRO A 79 -20.525 -16.201 11.011 1.00 0.00 C ATOM 0 HA PRO A 79 -20.946 -18.850 9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -20.658 -19.259 12.034 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -19.364 -19.263 10.853 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -19.868 -17.210 12.840 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.644 -17.162 11.587 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -21.176 -15.654 11.692 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.866 -15.469 10.544 1.00 0.00 H new ATOM 1299 N PRO A 80 -22.825 -20.297 10.176 1.00 0.00 N ATOM 1300 CA PRO A 80 -24.095 -20.963 10.480 1.00 0.00 C ATOM 1301 C PRO A 80 -24.261 -21.156 11.990 1.00 0.00 C ATOM 1302 O PRO A 80 -23.597 -20.516 12.781 1.00 0.00 O ATOM 1303 CB PRO A 80 -23.983 -22.354 9.773 1.00 0.00 C ATOM 1304 CG PRO A 80 -22.478 -22.552 9.416 1.00 0.00 C ATOM 1305 CD PRO A 80 -21.809 -21.161 9.535 1.00 0.00 C ATOM 0 HA PRO A 80 -24.953 -20.383 10.142 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -24.334 -23.151 10.428 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -24.601 -22.384 8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -22.010 -23.266 10.093 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -22.368 -22.950 8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.900 -21.211 10.134 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -21.525 -20.775 8.556 1.00 0.00 H new ATOM 1313 N LYS A 81 -25.145 -22.036 12.348 1.00 0.00 N ATOM 1314 CA LYS A 81 -25.378 -22.297 13.781 1.00 0.00 C ATOM 1315 C LYS A 81 -24.208 -23.086 14.365 1.00 0.00 C ATOM 1316 O LYS A 81 -24.248 -24.299 14.428 1.00 0.00 O ATOM 1317 CB LYS A 81 -26.670 -23.138 13.929 1.00 0.00 C ATOM 1318 CG LYS A 81 -27.897 -22.221 13.833 1.00 0.00 C ATOM 1319 CD LYS A 81 -28.011 -21.657 12.408 1.00 0.00 C ATOM 1320 CE LYS A 81 -29.431 -21.117 12.190 1.00 0.00 C ATOM 1321 NZ LYS A 81 -30.427 -22.227 12.250 1.00 0.00 N ATOM 0 H LYS A 81 -25.716 -22.585 11.706 1.00 0.00 H new ATOM 0 HA LYS A 81 -25.474 -21.349 14.311 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -26.711 -23.900 13.150 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -26.668 -23.660 14.886 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -28.799 -22.777 14.088 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -27.811 -21.406 14.551 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -27.280 -20.862 12.259 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -27.789 -22.435 11.677 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -29.663 -20.371 12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -29.492 -20.617 11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -31.245 -21.992 11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -29.989 -23.106 11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -30.742 -22.358 13.232 1.00 0.00 H new ATOM 1335 N GLY A 82 -23.183 -22.382 14.772 1.00 0.00 N ATOM 1336 CA GLY A 82 -21.991 -23.075 15.358 1.00 0.00 C ATOM 1337 C GLY A 82 -22.413 -24.036 16.477 1.00 0.00 C ATOM 1338 O GLY A 82 -21.645 -24.884 16.890 1.00 0.00 O ATOM 0 H GLY A 82 -23.117 -21.365 14.726 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -21.466 -23.626 14.578 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -21.293 -22.336 15.751 1.00 0.00 H new ATOM 1342 N GLU A 83 -23.627 -23.885 16.939 1.00 0.00 N ATOM 1343 CA GLU A 83 -24.114 -24.779 18.025 1.00 0.00 C ATOM 1344 C GLU A 83 -24.511 -26.142 17.469 1.00 0.00 C ATOM 1345 O GLU A 83 -25.424 -26.150 16.660 1.00 0.00 O ATOM 1346 CB GLU A 83 -25.349 -24.129 18.663 1.00 0.00 C ATOM 1347 CG GLU A 83 -25.772 -24.942 19.891 1.00 0.00 C ATOM 1348 CD GLU A 83 -26.728 -24.108 20.748 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -26.243 -23.141 21.313 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -27.886 -24.484 20.785 1.00 0.00 O ATOM 1351 OXT GLU A 83 -23.882 -27.101 17.886 1.00 0.00 O ATOM 0 H GLU A 83 -24.295 -23.187 16.613 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.318 -24.919 18.757 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -25.125 -23.102 18.952 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -26.165 -24.087 17.942 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -26.258 -25.866 19.579 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -24.895 -25.224 20.474 1.00 0.00 H new TER 1358 GLU A 83