USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 624 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 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 16 TYR OH : rot -102:sc= 0.101 USER MOD Set 2.2: A 45 CYS SG : rot -64:sc= -0.669 USER MOD Set 3.1: A 27 HIS : no HD1:sc= -0.982 K(o=-7.2,f=-8.6) USER MOD Set 3.2: A 31 HIS : no HE2:sc= -6.18! C(o=-7.2!,f=-8.1!) USER MOD Set 4.1: A 8 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0511) USER MOD Set 4.2: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0856 (180deg=-0.101) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.202 USER MOD Single : A 15 SER OG : rot 112:sc= 0.185 USER MOD Single : A 21 GLN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 22 THR OG1 : rot 94:sc= 1.19 USER MOD Single : A 23 SER OG : rot 93:sc= 0.644 USER MOD Single : A 28 LYS NZ :NH3+ -105:sc= 0 (180deg=-0.132) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.4 K(o=-1.4,f=-6.8!) USER MOD Single : A 42 SER OG : rot -52:sc= -0.871 USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.0422) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0217 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -124:sc= 0.478 USER MOD Single : A 52 MET CE :methyl -142:sc= -2.82 (180deg=-6.62!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.0556) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.132 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.006 18.408 -14.555 1.00 0.00 N ATOM 2 CA MET A 1 -12.439 18.814 -14.488 1.00 0.00 C ATOM 3 C MET A 1 -13.229 17.828 -13.623 1.00 0.00 C ATOM 4 O MET A 1 -12.812 16.706 -13.410 1.00 0.00 O ATOM 5 CB MET A 1 -12.931 18.772 -15.935 1.00 0.00 C ATOM 6 CG MET A 1 -12.543 20.070 -16.646 1.00 0.00 C ATOM 7 SD MET A 1 -13.637 21.405 -16.102 1.00 0.00 S ATOM 8 CE MET A 1 -13.571 22.384 -17.623 1.00 0.00 C ATOM 0 H1 MET A 1 -10.436 19.048 -13.966 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.905 17.434 -14.206 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.677 18.459 -15.540 1.00 0.00 H new ATOM 0 HA MET A 1 -12.568 19.800 -14.042 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.496 17.917 -16.453 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.013 18.642 -15.958 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.506 20.322 -16.425 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.617 19.942 -17.726 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.188 23.275 -17.509 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.541 22.679 -17.821 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.944 21.788 -18.456 1.00 0.00 H new ATOM 20 N GLY A 2 -14.367 18.243 -13.126 1.00 0.00 N ATOM 21 CA GLY A 2 -15.193 17.339 -12.273 1.00 0.00 C ATOM 22 C GLY A 2 -16.621 17.880 -12.187 1.00 0.00 C ATOM 23 O GLY A 2 -16.838 19.075 -12.134 1.00 0.00 O ATOM 0 H GLY A 2 -14.760 19.172 -13.276 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -15.199 16.332 -12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.760 17.267 -11.275 1.00 0.00 H new ATOM 27 N LYS A 3 -17.595 17.005 -12.173 1.00 0.00 N ATOM 28 CA LYS A 3 -19.015 17.459 -12.090 1.00 0.00 C ATOM 29 C LYS A 3 -19.517 17.364 -10.647 1.00 0.00 C ATOM 30 O LYS A 3 -20.667 17.052 -10.400 1.00 0.00 O ATOM 31 CB LYS A 3 -19.791 16.498 -12.992 1.00 0.00 C ATOM 32 CG LYS A 3 -19.447 16.781 -14.456 1.00 0.00 C ATOM 33 CD LYS A 3 -19.974 15.644 -15.334 1.00 0.00 C ATOM 34 CE LYS A 3 -21.498 15.738 -15.432 1.00 0.00 C ATOM 35 NZ LYS A 3 -21.872 14.791 -16.518 1.00 0.00 N ATOM 0 H LYS A 3 -17.467 15.994 -12.216 1.00 0.00 H new ATOM 0 HA LYS A 3 -19.136 18.497 -12.400 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -19.542 15.467 -12.742 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -20.862 16.616 -12.830 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.887 17.729 -14.767 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.368 16.876 -14.575 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.531 15.703 -16.328 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.685 14.681 -14.913 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -21.972 15.465 -14.489 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.817 16.754 -15.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -22.904 14.799 -16.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -21.412 15.080 -17.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -21.562 13.831 -16.264 1.00 0.00 H new ATOM 49 N GLY A 4 -18.660 17.631 -9.694 1.00 0.00 N ATOM 50 CA GLY A 4 -19.077 17.559 -8.263 1.00 0.00 C ATOM 51 C GLY A 4 -19.249 18.973 -7.706 1.00 0.00 C ATOM 52 O GLY A 4 -20.267 19.299 -7.126 1.00 0.00 O ATOM 0 H GLY A 4 -17.687 17.896 -9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.012 17.006 -8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.330 17.017 -7.683 1.00 0.00 H new ATOM 56 N ASP A 5 -18.260 19.813 -7.880 1.00 0.00 N ATOM 57 CA ASP A 5 -18.357 21.211 -7.363 1.00 0.00 C ATOM 58 C ASP A 5 -18.439 22.206 -8.531 1.00 0.00 C ATOM 59 O ASP A 5 -18.155 21.851 -9.658 1.00 0.00 O ATOM 60 CB ASP A 5 -17.073 21.426 -6.562 1.00 0.00 C ATOM 61 CG ASP A 5 -17.205 20.755 -5.194 1.00 0.00 C ATOM 62 OD1 ASP A 5 -16.855 19.590 -5.092 1.00 0.00 O ATOM 63 OD2 ASP A 5 -17.654 21.415 -4.273 1.00 0.00 O ATOM 0 H ASP A 5 -17.388 19.590 -8.359 1.00 0.00 H new ATOM 0 HA ASP A 5 -19.248 21.366 -6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.222 21.011 -7.102 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.883 22.492 -6.439 1.00 0.00 H new ATOM 68 N PRO A 6 -18.829 23.428 -8.232 1.00 0.00 N ATOM 69 CA PRO A 6 -18.943 24.463 -9.292 1.00 0.00 C ATOM 70 C PRO A 6 -17.555 24.922 -9.731 1.00 0.00 C ATOM 71 O PRO A 6 -17.285 25.101 -10.904 1.00 0.00 O ATOM 72 CB PRO A 6 -19.666 25.612 -8.598 1.00 0.00 C ATOM 73 CG PRO A 6 -19.344 25.441 -7.150 1.00 0.00 C ATOM 74 CD PRO A 6 -19.196 23.963 -6.909 1.00 0.00 C ATOM 0 HA PRO A 6 -19.460 24.102 -10.181 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -19.323 26.578 -8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -20.741 25.567 -8.773 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -18.425 25.968 -6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -20.135 25.857 -6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.427 23.754 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.123 23.522 -6.542 1.00 0.00 H new ATOM 82 N ASN A 7 -16.683 25.134 -8.782 1.00 0.00 N ATOM 83 CA ASN A 7 -15.309 25.608 -9.108 1.00 0.00 C ATOM 84 C ASN A 7 -14.267 24.737 -8.397 1.00 0.00 C ATOM 85 O ASN A 7 -13.283 25.233 -7.879 1.00 0.00 O ATOM 86 CB ASN A 7 -15.269 27.048 -8.578 1.00 0.00 C ATOM 87 CG ASN A 7 -15.253 28.031 -9.751 1.00 0.00 C ATOM 88 OD1 ASN A 7 -14.224 28.588 -10.078 1.00 0.00 O ATOM 89 ND2 ASN A 7 -16.359 28.268 -10.400 1.00 0.00 N ATOM 0 H ASN A 7 -16.866 24.998 -7.788 1.00 0.00 H new ATOM 0 HA ASN A 7 -15.085 25.554 -10.173 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.136 27.237 -7.945 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -14.384 27.193 -7.958 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -16.361 28.922 -11.183 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -17.222 27.800 -10.125 1.00 0.00 H new ATOM 96 N LYS A 8 -14.477 23.445 -8.373 1.00 0.00 N ATOM 97 CA LYS A 8 -13.504 22.534 -7.700 1.00 0.00 C ATOM 98 C LYS A 8 -13.618 21.114 -8.280 1.00 0.00 C ATOM 99 O LYS A 8 -14.592 20.799 -8.935 1.00 0.00 O ATOM 100 CB LYS A 8 -13.907 22.545 -6.224 1.00 0.00 C ATOM 101 CG LYS A 8 -13.081 23.595 -5.476 1.00 0.00 C ATOM 102 CD LYS A 8 -13.234 23.386 -3.969 1.00 0.00 C ATOM 103 CE LYS A 8 -12.322 22.244 -3.516 1.00 0.00 C ATOM 104 NZ LYS A 8 -10.988 22.875 -3.310 1.00 0.00 N ATOM 0 H LYS A 8 -15.283 22.981 -8.792 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.472 22.853 -7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.970 22.767 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.746 21.560 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.031 23.517 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.412 24.597 -5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.979 24.302 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.271 23.155 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.689 21.787 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.274 21.455 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.240 22.187 -3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.895 23.702 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.896 23.177 -2.319 1.00 0.00 H new ATOM 118 N PRO A 9 -12.619 20.294 -8.025 1.00 0.00 N ATOM 119 CA PRO A 9 -12.639 18.902 -8.545 1.00 0.00 C ATOM 120 C PRO A 9 -13.660 18.056 -7.778 1.00 0.00 C ATOM 121 O PRO A 9 -14.361 18.549 -6.914 1.00 0.00 O ATOM 122 CB PRO A 9 -11.219 18.402 -8.292 1.00 0.00 C ATOM 123 CG PRO A 9 -10.711 19.233 -7.158 1.00 0.00 C ATOM 124 CD PRO A 9 -11.399 20.569 -7.247 1.00 0.00 C ATOM 0 HA PRO A 9 -12.925 18.843 -9.595 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.214 17.342 -8.038 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.595 18.520 -9.178 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.924 18.753 -6.203 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.629 19.352 -7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.637 20.961 -6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.770 21.309 -7.741 1.00 0.00 H new ATOM 132 N ARG A 10 -13.745 16.788 -8.089 1.00 0.00 N ATOM 133 CA ARG A 10 -14.717 15.900 -7.384 1.00 0.00 C ATOM 134 C ARG A 10 -14.039 15.208 -6.198 1.00 0.00 C ATOM 135 O ARG A 10 -12.830 15.224 -6.069 1.00 0.00 O ATOM 136 CB ARG A 10 -15.147 14.870 -8.429 1.00 0.00 C ATOM 137 CG ARG A 10 -16.435 14.184 -7.969 1.00 0.00 C ATOM 138 CD ARG A 10 -17.042 13.398 -9.134 1.00 0.00 C ATOM 139 NE ARG A 10 -18.309 12.830 -8.595 1.00 0.00 N ATOM 140 CZ ARG A 10 -18.354 11.584 -8.210 1.00 0.00 C ATOM 141 NH1 ARG A 10 -18.414 10.629 -9.097 1.00 0.00 N ATOM 142 NH2 ARG A 10 -18.340 11.292 -6.938 1.00 0.00 N ATOM 0 H ARG A 10 -13.181 16.328 -8.804 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.566 16.455 -6.986 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.305 15.357 -9.391 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.359 14.130 -8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.224 13.514 -7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -17.146 14.927 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.232 14.045 -9.990 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.369 12.611 -9.473 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.142 13.415 -8.527 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.426 10.856 -10.091 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.449 9.655 -8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.294 12.038 -6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.375 10.318 -6.638 1.00 0.00 H new ATOM 156 N GLY A 11 -14.814 14.601 -5.334 1.00 0.00 N ATOM 157 CA GLY A 11 -14.225 13.903 -4.153 1.00 0.00 C ATOM 158 C GLY A 11 -13.511 12.631 -4.617 1.00 0.00 C ATOM 159 O GLY A 11 -13.037 12.549 -5.734 1.00 0.00 O ATOM 0 H GLY A 11 -15.831 14.559 -5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.523 14.561 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -15.008 13.653 -3.437 1.00 0.00 H new ATOM 163 N LYS A 12 -13.434 11.642 -3.764 1.00 0.00 N ATOM 164 CA LYS A 12 -12.752 10.368 -4.146 1.00 0.00 C ATOM 165 C LYS A 12 -13.771 9.228 -4.230 1.00 0.00 C ATOM 166 O LYS A 12 -14.967 9.451 -4.208 1.00 0.00 O ATOM 167 CB LYS A 12 -11.746 10.106 -3.025 1.00 0.00 C ATOM 168 CG LYS A 12 -10.618 11.137 -3.101 1.00 0.00 C ATOM 169 CD LYS A 12 -9.830 11.130 -1.790 1.00 0.00 C ATOM 170 CE LYS A 12 -10.557 11.988 -0.752 1.00 0.00 C ATOM 171 NZ LYS A 12 -9.938 11.622 0.552 1.00 0.00 N ATOM 0 H LYS A 12 -13.814 11.661 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.268 10.434 -5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.242 10.164 -2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.339 9.099 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.957 10.907 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.030 12.129 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.723 10.109 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.824 11.516 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.435 13.050 -0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.628 11.784 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.385 12.170 1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.076 10.606 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.920 11.833 0.525 1.00 0.00 H new ATOM 185 N MET A 13 -13.302 8.010 -4.326 1.00 0.00 N ATOM 186 CA MET A 13 -14.235 6.848 -4.414 1.00 0.00 C ATOM 187 C MET A 13 -13.898 5.817 -3.332 1.00 0.00 C ATOM 188 O MET A 13 -13.116 6.079 -2.438 1.00 0.00 O ATOM 189 CB MET A 13 -14.006 6.258 -5.806 1.00 0.00 C ATOM 190 CG MET A 13 -14.909 6.969 -6.816 1.00 0.00 C ATOM 191 SD MET A 13 -14.126 8.514 -7.342 1.00 0.00 S ATOM 192 CE MET A 13 -14.879 8.600 -8.986 1.00 0.00 C ATOM 0 H MET A 13 -12.311 7.770 -4.347 1.00 0.00 H new ATOM 0 HA MET A 13 -15.274 7.141 -4.262 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.961 6.372 -6.093 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.220 5.189 -5.800 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.085 6.326 -7.678 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.881 7.175 -6.369 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.529 9.495 -9.500 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.598 7.718 -9.561 1.00 0.00 H new ATOM 0 HE3 MET A 13 -15.964 8.639 -8.888 1.00 0.00 H new ATOM 202 N SER A 14 -14.483 4.649 -3.411 1.00 0.00 N ATOM 203 CA SER A 14 -14.203 3.593 -2.392 1.00 0.00 C ATOM 204 C SER A 14 -14.459 2.205 -2.985 1.00 0.00 C ATOM 205 O SER A 14 -15.051 2.072 -4.041 1.00 0.00 O ATOM 206 CB SER A 14 -15.177 3.877 -1.251 1.00 0.00 C ATOM 207 OG SER A 14 -15.247 2.741 -0.399 1.00 0.00 O ATOM 0 H SER A 14 -15.144 4.381 -4.140 1.00 0.00 H new ATOM 0 HA SER A 14 -13.166 3.607 -2.056 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.849 4.750 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.165 4.108 -1.650 1.00 0.00 H new ATOM 0 HG SER A 14 -15.870 2.921 0.336 1.00 0.00 H new ATOM 213 N SER A 15 -14.020 1.174 -2.310 1.00 0.00 N ATOM 214 CA SER A 15 -14.235 -0.213 -2.828 1.00 0.00 C ATOM 215 C SER A 15 -15.707 -0.610 -2.682 1.00 0.00 C ATOM 216 O SER A 15 -16.220 -1.408 -3.444 1.00 0.00 O ATOM 217 CB SER A 15 -13.351 -1.108 -1.959 1.00 0.00 C ATOM 218 OG SER A 15 -13.701 -0.930 -0.592 1.00 0.00 O ATOM 0 H SER A 15 -13.522 1.231 -1.422 1.00 0.00 H new ATOM 0 HA SER A 15 -13.985 -0.299 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.478 -2.152 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.301 -0.860 -2.113 1.00 0.00 H new ATOM 0 HG SER A 15 -14.122 -1.748 -0.253 1.00 0.00 H new ATOM 224 N TYR A 16 -16.386 -0.057 -1.710 1.00 0.00 N ATOM 225 CA TYR A 16 -17.828 -0.397 -1.509 1.00 0.00 C ATOM 226 C TYR A 16 -18.688 0.306 -2.563 1.00 0.00 C ATOM 227 O TYR A 16 -19.736 -0.180 -2.945 1.00 0.00 O ATOM 228 CB TYR A 16 -18.170 0.118 -0.109 1.00 0.00 C ATOM 229 CG TYR A 16 -19.358 -0.644 0.431 1.00 0.00 C ATOM 230 CD1 TYR A 16 -19.180 -1.921 0.976 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.634 -0.073 0.386 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.280 -2.628 1.476 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.735 -0.780 0.886 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.558 -2.057 1.432 1.00 0.00 C ATOM 235 OH TYR A 16 -22.642 -2.753 1.925 1.00 0.00 O ATOM 0 H TYR A 16 -16.004 0.616 -1.046 1.00 0.00 H new ATOM 0 HA TYR A 16 -18.016 -1.466 -1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -17.314 -0.004 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -18.395 1.184 -0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -18.194 -2.361 1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.770 0.913 -0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.143 -3.614 1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.721 -0.340 0.850 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.148 -3.140 1.181 1.00 0.00 H new ATOM 245 N ALA A 17 -18.248 1.446 -3.035 1.00 0.00 N ATOM 246 CA ALA A 17 -19.034 2.186 -4.069 1.00 0.00 C ATOM 247 C ALA A 17 -18.878 1.511 -5.433 1.00 0.00 C ATOM 248 O ALA A 17 -19.767 1.558 -6.264 1.00 0.00 O ATOM 249 CB ALA A 17 -18.434 3.594 -4.095 1.00 0.00 C ATOM 0 H ALA A 17 -17.378 1.896 -2.749 1.00 0.00 H new ATOM 0 HA ALA A 17 -20.100 2.203 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.960 4.200 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.536 4.051 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.378 3.535 -4.360 1.00 0.00 H new ATOM 255 N PHE A 18 -17.755 0.879 -5.666 1.00 0.00 N ATOM 256 CA PHE A 18 -17.533 0.193 -6.974 1.00 0.00 C ATOM 257 C PHE A 18 -18.279 -1.144 -7.000 1.00 0.00 C ATOM 258 O PHE A 18 -18.690 -1.615 -8.043 1.00 0.00 O ATOM 259 CB PHE A 18 -16.023 -0.034 -7.057 1.00 0.00 C ATOM 260 CG PHE A 18 -15.366 1.173 -7.684 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.747 1.593 -8.963 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.376 1.873 -6.983 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.138 2.712 -9.544 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.767 2.993 -7.564 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.148 3.412 -8.843 1.00 0.00 C ATOM 0 H PHE A 18 -16.981 0.809 -5.005 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.901 0.781 -7.815 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.615 -0.207 -6.061 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.810 -0.925 -7.648 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.511 1.054 -9.503 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.082 1.550 -5.995 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.431 3.035 -10.532 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.003 3.533 -7.024 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.679 4.276 -9.290 1.00 0.00 H new ATOM 275 N PHE A 19 -18.456 -1.755 -5.856 1.00 0.00 N ATOM 276 CA PHE A 19 -19.177 -3.064 -5.803 1.00 0.00 C ATOM 277 C PHE A 19 -20.615 -2.892 -6.300 1.00 0.00 C ATOM 278 O PHE A 19 -21.093 -3.658 -7.117 1.00 0.00 O ATOM 279 CB PHE A 19 -19.166 -3.473 -4.328 1.00 0.00 C ATOM 280 CG PHE A 19 -19.356 -4.967 -4.219 1.00 0.00 C ATOM 281 CD1 PHE A 19 -20.648 -5.505 -4.146 1.00 0.00 C ATOM 282 CD2 PHE A 19 -18.243 -5.814 -4.191 1.00 0.00 C ATOM 283 CE1 PHE A 19 -20.824 -6.889 -4.045 1.00 0.00 C ATOM 284 CE2 PHE A 19 -18.420 -7.200 -4.090 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.711 -7.737 -4.017 1.00 0.00 C ATOM 0 H PHE A 19 -18.132 -1.404 -4.955 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.706 -3.818 -6.434 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.223 -3.181 -3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.959 -2.954 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -21.507 -4.851 -4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.247 -5.399 -4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -21.820 -7.304 -3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -17.561 -7.854 -4.068 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.848 -8.805 -3.939 1.00 0.00 H new ATOM 295 N VAL A 20 -21.303 -1.890 -5.815 1.00 0.00 N ATOM 296 CA VAL A 20 -22.712 -1.658 -6.258 1.00 0.00 C ATOM 297 C VAL A 20 -22.724 -1.110 -7.690 1.00 0.00 C ATOM 298 O VAL A 20 -23.652 -1.340 -8.442 1.00 0.00 O ATOM 299 CB VAL A 20 -23.279 -0.626 -5.275 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.727 -0.293 -5.646 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.243 -1.201 -3.856 1.00 0.00 C ATOM 0 H VAL A 20 -20.950 -1.221 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.303 -2.574 -6.261 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.676 0.281 -5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -25.123 0.440 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.759 0.117 -6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.331 -1.199 -5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.646 -0.469 -3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.844 -2.109 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -22.214 -1.435 -3.584 1.00 0.00 H new ATOM 311 N GLN A 21 -21.699 -0.388 -8.068 1.00 0.00 N ATOM 312 CA GLN A 21 -21.644 0.176 -9.451 1.00 0.00 C ATOM 313 C GLN A 21 -21.388 -0.941 -10.468 1.00 0.00 C ATOM 314 O GLN A 21 -21.802 -0.859 -11.609 1.00 0.00 O ATOM 315 CB GLN A 21 -20.477 1.165 -9.436 1.00 0.00 C ATOM 316 CG GLN A 21 -20.997 2.564 -9.098 1.00 0.00 C ATOM 317 CD GLN A 21 -21.428 3.273 -10.383 1.00 0.00 C ATOM 318 OE1 GLN A 21 -20.675 4.039 -10.950 1.00 0.00 O ATOM 319 NE2 GLN A 21 -22.618 3.049 -10.870 1.00 0.00 N ATOM 0 H GLN A 21 -20.897 -0.165 -7.478 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.580 0.658 -9.735 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -19.733 0.855 -8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.982 1.174 -10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.839 2.494 -8.409 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.221 3.140 -8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -23.251 2.406 -10.394 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -22.915 3.517 -11.726 1.00 0.00 H new ATOM 328 N THR A 22 -20.709 -1.982 -10.057 1.00 0.00 N ATOM 329 CA THR A 22 -20.420 -3.111 -10.992 1.00 0.00 C ATOM 330 C THR A 22 -21.482 -4.204 -10.844 1.00 0.00 C ATOM 331 O THR A 22 -21.772 -4.929 -11.778 1.00 0.00 O ATOM 332 CB THR A 22 -19.048 -3.636 -10.566 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.125 -2.557 -10.518 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.564 -4.681 -11.574 1.00 0.00 C ATOM 0 H THR A 22 -20.342 -2.099 -9.113 1.00 0.00 H new ATOM 0 HA THR A 22 -20.430 -2.797 -12.036 1.00 0.00 H new ATOM 0 HB THR A 22 -19.123 -4.094 -9.580 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.091 -2.196 -9.608 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.586 -5.055 -11.270 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.273 -5.508 -11.610 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.487 -4.226 -12.561 1.00 0.00 H new ATOM 342 N SER A 23 -22.064 -4.325 -9.678 1.00 0.00 N ATOM 343 CA SER A 23 -23.109 -5.368 -9.461 1.00 0.00 C ATOM 344 C SER A 23 -24.470 -4.862 -9.947 1.00 0.00 C ATOM 345 O SER A 23 -25.273 -5.618 -10.462 1.00 0.00 O ATOM 346 CB SER A 23 -23.130 -5.601 -7.950 1.00 0.00 C ATOM 347 OG SER A 23 -21.934 -6.263 -7.561 1.00 0.00 O ATOM 0 H SER A 23 -21.859 -3.744 -8.865 1.00 0.00 H new ATOM 0 HA SER A 23 -22.897 -6.285 -10.011 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.220 -4.650 -7.425 1.00 0.00 H new ATOM 0 HB3 SER A 23 -23.997 -6.201 -7.675 1.00 0.00 H new ATOM 0 HG SER A 23 -21.267 -5.599 -7.288 1.00 0.00 H new ATOM 353 N ARG A 24 -24.732 -3.589 -9.788 1.00 0.00 N ATOM 354 CA ARG A 24 -26.041 -3.027 -10.243 1.00 0.00 C ATOM 355 C ARG A 24 -26.092 -2.992 -11.771 1.00 0.00 C ATOM 356 O ARG A 24 -27.130 -3.205 -12.371 1.00 0.00 O ATOM 357 CB ARG A 24 -26.098 -1.610 -9.672 1.00 0.00 C ATOM 358 CG ARG A 24 -27.503 -1.039 -9.866 1.00 0.00 C ATOM 359 CD ARG A 24 -27.429 0.487 -9.948 1.00 0.00 C ATOM 360 NE ARG A 24 -28.840 0.933 -10.111 1.00 0.00 N ATOM 361 CZ ARG A 24 -29.129 1.894 -10.946 1.00 0.00 C ATOM 362 NH1 ARG A 24 -29.118 3.134 -10.541 1.00 0.00 N ATOM 363 NH2 ARG A 24 -29.428 1.614 -12.185 1.00 0.00 N ATOM 0 H ARG A 24 -24.096 -2.914 -9.363 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.885 -3.629 -9.906 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.842 -1.623 -8.613 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.364 -0.976 -10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -27.948 -1.441 -10.776 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -28.146 -1.338 -9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.983 0.909 -9.048 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -26.814 0.808 -10.789 1.00 0.00 H new ATOM 0 HE ARG A 24 -29.581 0.488 -9.570 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.884 3.352 -9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -29.344 3.885 -11.193 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -29.436 0.644 -12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -29.654 2.365 -12.837 1.00 0.00 H new ATOM 377 N GLU A 25 -24.976 -2.730 -12.406 1.00 0.00 N ATOM 378 CA GLU A 25 -24.950 -2.686 -13.903 1.00 0.00 C ATOM 379 C GLU A 25 -25.381 -4.040 -14.469 1.00 0.00 C ATOM 380 O GLU A 25 -26.077 -4.115 -15.464 1.00 0.00 O ATOM 381 CB GLU A 25 -23.496 -2.386 -14.275 1.00 0.00 C ATOM 382 CG GLU A 25 -23.273 -0.872 -14.288 1.00 0.00 C ATOM 383 CD GLU A 25 -21.849 -0.570 -14.756 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.548 -0.860 -15.902 1.00 0.00 O ATOM 385 OE2 GLU A 25 -21.082 -0.053 -13.960 1.00 0.00 O ATOM 0 H GLU A 25 -24.081 -2.545 -11.953 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.630 -1.935 -14.306 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.822 -2.857 -13.560 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.266 -2.806 -15.254 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -23.994 -0.393 -14.951 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.434 -0.461 -13.291 1.00 0.00 H new ATOM 392 N GLU A 26 -24.981 -5.109 -13.829 1.00 0.00 N ATOM 393 CA GLU A 26 -25.373 -6.467 -14.308 1.00 0.00 C ATOM 394 C GLU A 26 -26.631 -6.947 -13.570 1.00 0.00 C ATOM 395 O GLU A 26 -26.920 -8.128 -13.526 1.00 0.00 O ATOM 396 CB GLU A 26 -24.180 -7.363 -13.971 1.00 0.00 C ATOM 397 CG GLU A 26 -24.420 -8.767 -14.530 1.00 0.00 C ATOM 398 CD GLU A 26 -23.078 -9.477 -14.720 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.380 -9.140 -15.662 1.00 0.00 O ATOM 400 OE2 GLU A 26 -22.772 -10.345 -13.920 1.00 0.00 O ATOM 0 H GLU A 26 -24.398 -5.099 -12.992 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.606 -6.479 -15.373 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.267 -6.944 -14.393 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.040 -7.409 -12.891 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.052 -9.338 -13.850 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.949 -8.706 -15.481 1.00 0.00 H new ATOM 407 N HIS A 27 -27.378 -6.037 -12.988 1.00 0.00 N ATOM 408 CA HIS A 27 -28.615 -6.430 -12.252 1.00 0.00 C ATOM 409 C HIS A 27 -29.854 -6.069 -13.076 1.00 0.00 C ATOM 410 O HIS A 27 -30.709 -6.898 -13.322 1.00 0.00 O ATOM 411 CB HIS A 27 -28.569 -5.613 -10.958 1.00 0.00 C ATOM 412 CG HIS A 27 -29.740 -5.973 -10.086 1.00 0.00 C ATOM 413 ND1 HIS A 27 -29.701 -7.036 -9.197 1.00 0.00 N ATOM 414 CD2 HIS A 27 -30.989 -5.419 -9.952 1.00 0.00 C ATOM 415 CE1 HIS A 27 -30.893 -7.088 -8.574 1.00 0.00 C ATOM 416 NE2 HIS A 27 -31.715 -6.124 -8.997 1.00 0.00 N ATOM 0 H HIS A 27 -27.180 -5.036 -12.993 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.667 -7.501 -12.059 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.636 -5.806 -10.428 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.590 -4.548 -11.189 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -31.353 -4.565 -10.504 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -31.153 -7.820 -7.824 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -32.670 -5.943 -8.687 1.00 0.00 H new ATOM 424 N LYS A 28 -29.953 -4.835 -13.504 1.00 0.00 N ATOM 425 CA LYS A 28 -31.136 -4.408 -14.315 1.00 0.00 C ATOM 426 C LYS A 28 -31.215 -5.223 -15.608 1.00 0.00 C ATOM 427 O LYS A 28 -32.287 -5.498 -16.113 1.00 0.00 O ATOM 428 CB LYS A 28 -30.899 -2.930 -14.628 1.00 0.00 C ATOM 429 CG LYS A 28 -32.195 -2.301 -15.142 1.00 0.00 C ATOM 430 CD LYS A 28 -32.188 -0.800 -14.847 1.00 0.00 C ATOM 431 CE LYS A 28 -32.581 -0.564 -13.386 1.00 0.00 C ATOM 432 NZ LYS A 28 -34.070 -0.621 -13.376 1.00 0.00 N ATOM 0 H LYS A 28 -29.265 -4.103 -13.327 1.00 0.00 H new ATOM 0 HA LYS A 28 -32.074 -4.564 -13.782 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -30.559 -2.408 -13.733 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -30.112 -2.828 -15.375 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -32.293 -2.471 -16.214 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -33.054 -2.772 -14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -31.199 -0.385 -15.040 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -32.884 -0.285 -15.509 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -32.152 -1.325 -12.734 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -32.220 0.401 -13.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -34.454 0.341 -13.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -34.407 -1.045 -14.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -34.390 -1.199 -12.573 1.00 0.00 H new ATOM 446 N LYS A 29 -30.085 -5.608 -16.145 1.00 0.00 N ATOM 447 CA LYS A 29 -30.085 -6.406 -17.411 1.00 0.00 C ATOM 448 C LYS A 29 -30.812 -7.739 -17.203 1.00 0.00 C ATOM 449 O LYS A 29 -31.324 -8.326 -18.139 1.00 0.00 O ATOM 450 CB LYS A 29 -28.609 -6.649 -17.735 1.00 0.00 C ATOM 451 CG LYS A 29 -28.024 -5.408 -18.412 1.00 0.00 C ATOM 452 CD LYS A 29 -26.680 -5.761 -19.052 1.00 0.00 C ATOM 453 CE LYS A 29 -26.273 -4.657 -20.030 1.00 0.00 C ATOM 454 NZ LYS A 29 -25.668 -3.594 -19.180 1.00 0.00 N ATOM 0 H LYS A 29 -29.162 -5.405 -15.762 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.599 -5.886 -18.219 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.057 -6.872 -16.822 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.507 -7.515 -18.389 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.713 -5.035 -19.170 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.892 -4.610 -17.681 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.918 -5.877 -18.281 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.754 -6.715 -19.574 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.560 -5.026 -20.768 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -27.135 -4.280 -20.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -25.363 -2.801 -19.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -26.372 -3.257 -18.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.846 -3.980 -18.674 1.00 0.00 H new ATOM 468 N LYS A 30 -30.855 -8.223 -15.986 1.00 0.00 N ATOM 469 CA LYS A 30 -31.545 -9.525 -15.716 1.00 0.00 C ATOM 470 C LYS A 30 -32.620 -9.368 -14.631 1.00 0.00 C ATOM 471 O LYS A 30 -33.099 -10.345 -14.088 1.00 0.00 O ATOM 472 CB LYS A 30 -30.442 -10.489 -15.250 1.00 0.00 C ATOM 473 CG LYS A 30 -29.639 -9.872 -14.101 1.00 0.00 C ATOM 474 CD LYS A 30 -28.639 -10.899 -13.565 1.00 0.00 C ATOM 475 CE LYS A 30 -29.381 -11.961 -12.751 1.00 0.00 C ATOM 476 NZ LYS A 30 -28.657 -13.233 -13.027 1.00 0.00 N ATOM 0 H LYS A 30 -30.443 -7.774 -15.168 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.057 -9.894 -16.605 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -30.887 -11.430 -14.926 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -29.778 -10.720 -16.083 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -29.112 -8.983 -14.448 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.311 -9.553 -13.304 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -28.105 -11.367 -14.392 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -27.893 -10.405 -12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -29.369 -11.723 -11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -30.427 -12.029 -13.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -29.108 -14.010 -12.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -28.691 -13.438 -14.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.666 -13.141 -12.725 1.00 0.00 H new ATOM 490 N HIS A 31 -33.016 -8.154 -14.320 1.00 0.00 N ATOM 491 CA HIS A 31 -34.071 -7.950 -13.280 1.00 0.00 C ATOM 492 C HIS A 31 -34.987 -6.778 -13.676 1.00 0.00 C ATOM 493 O HIS A 31 -34.984 -5.748 -13.031 1.00 0.00 O ATOM 494 CB HIS A 31 -33.313 -7.634 -11.988 1.00 0.00 C ATOM 495 CG HIS A 31 -32.561 -8.856 -11.540 1.00 0.00 C ATOM 496 ND1 HIS A 31 -33.141 -10.113 -11.521 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.272 -9.032 -11.106 1.00 0.00 C ATOM 498 CE1 HIS A 31 -32.210 -10.983 -11.091 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.053 -10.376 -10.822 1.00 0.00 N ATOM 0 H HIS A 31 -32.653 -7.299 -14.742 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.709 -8.826 -13.165 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.622 -6.807 -12.152 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.010 -7.318 -11.212 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -34.100 -10.338 -11.785 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -30.538 -8.246 -11.001 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -32.379 -12.044 -10.977 1.00 0.00 H new ATOM 507 N PRO A 32 -35.751 -6.966 -14.734 1.00 0.00 N ATOM 508 CA PRO A 32 -36.670 -5.896 -15.194 1.00 0.00 C ATOM 509 C PRO A 32 -37.862 -5.769 -14.240 1.00 0.00 C ATOM 510 O PRO A 32 -38.353 -4.685 -13.989 1.00 0.00 O ATOM 511 CB PRO A 32 -37.125 -6.375 -16.570 1.00 0.00 C ATOM 512 CG PRO A 32 -36.967 -7.861 -16.536 1.00 0.00 C ATOM 513 CD PRO A 32 -35.837 -8.165 -15.586 1.00 0.00 C ATOM 0 HA PRO A 32 -36.199 -4.914 -15.226 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -38.160 -6.093 -16.763 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -36.521 -5.932 -17.362 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.889 -8.339 -16.204 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -36.748 -8.248 -17.531 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.041 -9.059 -14.997 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.904 -8.342 -16.120 1.00 0.00 H new ATOM 521 N ASP A 33 -38.325 -6.872 -13.709 1.00 0.00 N ATOM 522 CA ASP A 33 -39.485 -6.827 -12.768 1.00 0.00 C ATOM 523 C ASP A 33 -39.012 -6.436 -11.366 1.00 0.00 C ATOM 524 O ASP A 33 -39.717 -5.773 -10.627 1.00 0.00 O ATOM 525 CB ASP A 33 -40.051 -8.248 -12.766 1.00 0.00 C ATOM 526 CG ASP A 33 -40.871 -8.474 -14.038 1.00 0.00 C ATOM 527 OD1 ASP A 33 -41.925 -7.870 -14.154 1.00 0.00 O ATOM 528 OD2 ASP A 33 -40.432 -9.247 -14.873 1.00 0.00 O ATOM 0 H ASP A 33 -37.949 -7.803 -13.887 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.232 -6.092 -13.068 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -39.240 -8.974 -12.710 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.676 -8.400 -11.886 1.00 0.00 H new ATOM 533 N SER A 34 -37.823 -6.839 -10.998 1.00 0.00 N ATOM 534 CA SER A 34 -37.292 -6.496 -9.645 1.00 0.00 C ATOM 535 C SER A 34 -36.552 -5.155 -9.694 1.00 0.00 C ATOM 536 O SER A 34 -35.820 -4.876 -10.626 1.00 0.00 O ATOM 537 CB SER A 34 -36.328 -7.629 -9.297 1.00 0.00 C ATOM 538 OG SER A 34 -37.073 -8.783 -8.932 1.00 0.00 O ATOM 0 H SER A 34 -37.194 -7.393 -11.579 1.00 0.00 H new ATOM 0 HA SER A 34 -38.084 -6.396 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.686 -7.851 -10.150 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.676 -7.328 -8.477 1.00 0.00 H new ATOM 0 HG SER A 34 -36.458 -9.513 -8.710 1.00 0.00 H new ATOM 544 N SER A 35 -36.741 -4.327 -8.699 1.00 0.00 N ATOM 545 CA SER A 35 -36.057 -3.004 -8.678 1.00 0.00 C ATOM 546 C SER A 35 -34.822 -3.058 -7.774 1.00 0.00 C ATOM 547 O SER A 35 -34.406 -4.117 -7.342 1.00 0.00 O ATOM 548 CB SER A 35 -37.092 -2.032 -8.114 1.00 0.00 C ATOM 549 OG SER A 35 -38.025 -1.697 -9.133 1.00 0.00 O ATOM 0 H SER A 35 -37.343 -4.513 -7.897 1.00 0.00 H new ATOM 0 HA SER A 35 -35.711 -2.703 -9.667 1.00 0.00 H new ATOM 0 HB2 SER A 35 -37.608 -2.483 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 35 -36.600 -1.132 -7.745 1.00 0.00 H new ATOM 0 HG SER A 35 -38.692 -1.075 -8.774 1.00 0.00 H new ATOM 555 N VAL A 36 -34.238 -1.924 -7.488 1.00 0.00 N ATOM 556 CA VAL A 36 -33.029 -1.896 -6.611 1.00 0.00 C ATOM 557 C VAL A 36 -32.784 -0.468 -6.103 1.00 0.00 C ATOM 558 O VAL A 36 -31.858 0.202 -6.519 1.00 0.00 O ATOM 559 CB VAL A 36 -31.884 -2.384 -7.510 1.00 0.00 C ATOM 560 CG1 VAL A 36 -31.700 -1.440 -8.699 1.00 0.00 C ATOM 561 CG2 VAL A 36 -30.587 -2.434 -6.706 1.00 0.00 C ATOM 0 H VAL A 36 -34.547 -1.012 -7.825 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.130 -2.521 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.131 -3.379 -7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -30.885 -1.800 -9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.620 -1.407 -9.283 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.464 -0.440 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -29.775 -2.781 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.353 -1.438 -6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -30.705 -3.119 -5.867 1.00 0.00 H new ATOM 571 N ASN A 37 -33.622 0.001 -5.210 1.00 0.00 N ATOM 572 CA ASN A 37 -33.463 1.389 -4.669 1.00 0.00 C ATOM 573 C ASN A 37 -32.320 1.450 -3.645 1.00 0.00 C ATOM 574 O ASN A 37 -32.523 1.793 -2.500 1.00 0.00 O ATOM 575 CB ASN A 37 -34.807 1.717 -4.004 1.00 0.00 C ATOM 576 CG ASN A 37 -35.103 0.707 -2.890 1.00 0.00 C ATOM 577 OD1 ASN A 37 -35.538 -0.396 -3.155 1.00 0.00 O ATOM 578 ND2 ASN A 37 -34.885 1.041 -1.649 1.00 0.00 N ATOM 0 H ASN A 37 -34.413 -0.520 -4.831 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.211 2.103 -5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.782 2.726 -3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -35.604 1.695 -4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -35.080 0.376 -0.900 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -34.520 1.967 -1.427 1.00 0.00 H new ATOM 585 N PHE A 38 -31.123 1.131 -4.067 1.00 0.00 N ATOM 586 CA PHE A 38 -29.931 1.165 -3.153 1.00 0.00 C ATOM 587 C PHE A 38 -30.110 0.222 -1.956 1.00 0.00 C ATOM 588 O PHE A 38 -29.530 -0.834 -1.926 1.00 0.00 O ATOM 589 CB PHE A 38 -29.771 2.616 -2.681 1.00 0.00 C ATOM 590 CG PHE A 38 -29.641 3.530 -3.878 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.481 3.494 -4.660 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.681 4.409 -4.205 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.360 4.338 -5.770 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.559 5.251 -5.316 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.398 5.216 -6.098 1.00 0.00 C ATOM 0 H PHE A 38 -30.914 0.843 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.041 0.824 -3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.631 2.910 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.891 2.707 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.680 2.815 -4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.576 4.437 -3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.465 4.311 -6.373 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.361 5.928 -5.570 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.304 5.867 -6.955 1.00 0.00 H new ATOM 605 N ALA A 39 -30.888 0.600 -0.965 1.00 0.00 N ATOM 606 CA ALA A 39 -31.078 -0.271 0.249 1.00 0.00 C ATOM 607 C ALA A 39 -31.356 -1.729 -0.122 1.00 0.00 C ATOM 608 O ALA A 39 -30.721 -2.629 0.394 1.00 0.00 O ATOM 609 CB ALA A 39 -32.270 0.331 0.995 1.00 0.00 C ATOM 0 H ALA A 39 -31.404 1.480 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.173 -0.291 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.469 -0.252 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -32.043 1.360 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.149 0.315 0.350 1.00 0.00 H new ATOM 615 N GLU A 40 -32.279 -1.975 -1.019 1.00 0.00 N ATOM 616 CA GLU A 40 -32.561 -3.392 -1.424 1.00 0.00 C ATOM 617 C GLU A 40 -31.262 -4.060 -1.901 1.00 0.00 C ATOM 618 O GLU A 40 -31.125 -5.268 -1.868 1.00 0.00 O ATOM 619 CB GLU A 40 -33.574 -3.292 -2.566 1.00 0.00 C ATOM 620 CG GLU A 40 -34.992 -3.285 -1.991 1.00 0.00 C ATOM 621 CD GLU A 40 -35.998 -3.576 -3.107 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.120 -4.731 -3.480 1.00 0.00 O ATOM 623 OE2 GLU A 40 -36.629 -2.639 -3.568 1.00 0.00 O ATOM 0 H GLU A 40 -32.845 -1.266 -1.485 1.00 0.00 H new ATOM 0 HA GLU A 40 -32.949 -3.993 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.399 -2.384 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.451 -4.132 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -35.080 -4.034 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.207 -2.318 -1.537 1.00 0.00 H new ATOM 630 N PHE A 41 -30.308 -3.269 -2.331 1.00 0.00 N ATOM 631 CA PHE A 41 -29.011 -3.826 -2.796 1.00 0.00 C ATOM 632 C PHE A 41 -27.952 -3.657 -1.704 1.00 0.00 C ATOM 633 O PHE A 41 -27.083 -4.487 -1.528 1.00 0.00 O ATOM 634 CB PHE A 41 -28.661 -2.989 -4.025 1.00 0.00 C ATOM 635 CG PHE A 41 -27.908 -3.830 -5.023 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.574 -4.833 -5.737 1.00 0.00 C ATOM 637 CD2 PHE A 41 -26.545 -3.602 -5.240 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.874 -5.609 -6.668 1.00 0.00 C ATOM 639 CE2 PHE A 41 -25.847 -4.376 -6.171 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.510 -5.380 -6.885 1.00 0.00 C ATOM 0 H PHE A 41 -30.379 -2.253 -2.378 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.061 -4.891 -3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -29.571 -2.597 -4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.057 -2.131 -3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.627 -5.008 -5.570 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.032 -2.828 -4.688 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.386 -6.384 -7.219 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -24.795 -4.199 -6.339 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.970 -5.978 -7.604 1.00 0.00 H new ATOM 650 N SER A 42 -28.037 -2.582 -0.970 1.00 0.00 N ATOM 651 CA SER A 42 -27.060 -2.317 0.128 1.00 0.00 C ATOM 652 C SER A 42 -27.071 -3.474 1.141 1.00 0.00 C ATOM 653 O SER A 42 -26.122 -3.677 1.875 1.00 0.00 O ATOM 654 CB SER A 42 -27.542 -1.007 0.762 1.00 0.00 C ATOM 655 OG SER A 42 -28.472 -1.277 1.805 1.00 0.00 O ATOM 0 H SER A 42 -28.752 -1.864 -1.085 1.00 0.00 H new ATOM 0 HA SER A 42 -26.032 -2.238 -0.227 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.692 -0.452 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 42 -28.008 -0.378 0.004 1.00 0.00 H new ATOM 0 HG SER A 42 -29.181 -1.863 1.467 1.00 0.00 H new ATOM 661 N LYS A 43 -28.143 -4.227 1.179 1.00 0.00 N ATOM 662 CA LYS A 43 -28.236 -5.369 2.133 1.00 0.00 C ATOM 663 C LYS A 43 -27.715 -6.657 1.484 1.00 0.00 C ATOM 664 O LYS A 43 -27.290 -7.573 2.163 1.00 0.00 O ATOM 665 CB LYS A 43 -29.732 -5.494 2.436 1.00 0.00 C ATOM 666 CG LYS A 43 -30.045 -4.831 3.779 1.00 0.00 C ATOM 667 CD LYS A 43 -31.402 -5.322 4.287 1.00 0.00 C ATOM 668 CE LYS A 43 -32.520 -4.636 3.500 1.00 0.00 C ATOM 669 NZ LYS A 43 -32.729 -3.331 4.187 1.00 0.00 N ATOM 0 H LYS A 43 -28.962 -4.096 0.585 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.640 -5.208 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.314 -5.024 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -30.021 -6.545 2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.266 -5.068 4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -30.057 -3.747 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.475 -6.404 4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.505 -5.104 5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -32.238 -4.492 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -33.431 -5.235 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -33.005 -2.611 3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -33.481 -3.430 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -31.847 -3.039 4.654 1.00 0.00 H new ATOM 683 N LYS A 44 -27.753 -6.736 0.175 1.00 0.00 N ATOM 684 CA LYS A 44 -27.271 -7.968 -0.520 1.00 0.00 C ATOM 685 C LYS A 44 -25.777 -7.865 -0.847 1.00 0.00 C ATOM 686 O LYS A 44 -25.021 -8.789 -0.612 1.00 0.00 O ATOM 687 CB LYS A 44 -28.092 -8.044 -1.805 1.00 0.00 C ATOM 688 CG LYS A 44 -27.889 -9.414 -2.454 1.00 0.00 C ATOM 689 CD LYS A 44 -28.463 -10.506 -1.548 1.00 0.00 C ATOM 690 CE LYS A 44 -28.909 -11.697 -2.400 1.00 0.00 C ATOM 691 NZ LYS A 44 -29.496 -12.665 -1.432 1.00 0.00 N ATOM 0 H LYS A 44 -28.097 -5.999 -0.441 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.392 -8.855 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.148 -7.886 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.787 -7.255 -2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.378 -9.442 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -26.827 -9.592 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.712 -10.824 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -29.308 -10.115 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -29.641 -11.394 -3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.068 -12.136 -2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -29.825 -13.510 -1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -28.774 -12.940 -0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -30.299 -12.222 -0.942 1.00 0.00 H new ATOM 705 N CYS A 45 -25.348 -6.755 -1.396 1.00 0.00 N ATOM 706 CA CYS A 45 -23.900 -6.600 -1.748 1.00 0.00 C ATOM 707 C CYS A 45 -23.019 -6.784 -0.504 1.00 0.00 C ATOM 708 O CYS A 45 -21.878 -7.193 -0.596 1.00 0.00 O ATOM 709 CB CYS A 45 -23.765 -5.179 -2.316 1.00 0.00 C ATOM 710 SG CYS A 45 -24.249 -3.953 -1.071 1.00 0.00 S ATOM 0 H CYS A 45 -25.936 -5.951 -1.616 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.574 -7.349 -2.469 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -22.736 -5.002 -2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.391 -5.074 -3.202 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.510 -4.095 -0.789 1.00 0.00 H new ATOM 716 N SER A 46 -23.549 -6.487 0.657 1.00 0.00 N ATOM 717 CA SER A 46 -22.753 -6.645 1.913 1.00 0.00 C ATOM 718 C SER A 46 -22.538 -8.130 2.216 1.00 0.00 C ATOM 719 O SER A 46 -21.501 -8.525 2.715 1.00 0.00 O ATOM 720 CB SER A 46 -23.594 -5.993 3.010 1.00 0.00 C ATOM 721 OG SER A 46 -24.872 -6.615 3.055 1.00 0.00 O ATOM 0 H SER A 46 -24.500 -6.142 0.789 1.00 0.00 H new ATOM 0 HA SER A 46 -21.767 -6.187 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.095 -6.092 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.703 -4.926 2.815 1.00 0.00 H new ATOM 0 HG SER A 46 -25.413 -6.200 3.759 1.00 0.00 H new ATOM 727 N GLU A 47 -23.509 -8.953 1.914 1.00 0.00 N ATOM 728 CA GLU A 47 -23.366 -10.418 2.178 1.00 0.00 C ATOM 729 C GLU A 47 -22.227 -10.996 1.334 1.00 0.00 C ATOM 730 O GLU A 47 -21.537 -11.908 1.750 1.00 0.00 O ATOM 731 CB GLU A 47 -24.704 -11.037 1.768 1.00 0.00 C ATOM 732 CG GLU A 47 -25.689 -10.945 2.936 1.00 0.00 C ATOM 733 CD GLU A 47 -25.364 -12.029 3.964 1.00 0.00 C ATOM 734 OE1 GLU A 47 -24.458 -11.818 4.753 1.00 0.00 O ATOM 735 OE2 GLU A 47 -26.028 -13.052 3.946 1.00 0.00 O ATOM 0 H GLU A 47 -24.396 -8.674 1.495 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.129 -10.625 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.106 -10.517 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.562 -12.079 1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.629 -9.960 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.710 -11.066 2.575 1.00 0.00 H new ATOM 742 N ARG A 48 -22.029 -10.468 0.153 1.00 0.00 N ATOM 743 CA ARG A 48 -20.935 -10.978 -0.728 1.00 0.00 C ATOM 744 C ARG A 48 -19.618 -10.268 -0.402 1.00 0.00 C ATOM 745 O ARG A 48 -18.577 -10.889 -0.309 1.00 0.00 O ATOM 746 CB ARG A 48 -21.386 -10.645 -2.151 1.00 0.00 C ATOM 747 CG ARG A 48 -20.595 -11.494 -3.148 1.00 0.00 C ATOM 748 CD ARG A 48 -21.180 -12.907 -3.194 1.00 0.00 C ATOM 749 NE ARG A 48 -20.295 -13.659 -4.127 1.00 0.00 N ATOM 750 CZ ARG A 48 -20.701 -13.925 -5.338 1.00 0.00 C ATOM 751 NH1 ARG A 48 -21.774 -14.644 -5.524 1.00 0.00 N ATOM 752 NH2 ARG A 48 -20.032 -13.473 -6.364 1.00 0.00 N ATOM 0 H ARG A 48 -22.579 -9.704 -0.240 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.761 -12.046 -0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.453 -10.837 -2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.230 -9.586 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.634 -11.041 -4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.546 -11.533 -2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -21.189 -13.363 -2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -22.210 -12.896 -3.549 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.372 -13.966 -3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -22.296 -14.998 -4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -22.091 -14.852 -6.471 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -19.192 -12.912 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.349 -13.681 -7.311 1.00 0.00 H new ATOM 766 N TRP A 49 -19.660 -8.971 -0.228 1.00 0.00 N ATOM 767 CA TRP A 49 -18.412 -8.210 0.093 1.00 0.00 C ATOM 768 C TRP A 49 -17.814 -8.710 1.413 1.00 0.00 C ATOM 769 O TRP A 49 -16.609 -8.747 1.583 1.00 0.00 O ATOM 770 CB TRP A 49 -18.855 -6.748 0.222 1.00 0.00 C ATOM 771 CG TRP A 49 -17.666 -5.880 0.494 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.445 -5.207 1.646 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.538 -5.582 -0.377 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.253 -4.513 1.537 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.656 -4.713 0.309 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.196 -5.977 -1.683 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.478 -4.251 -0.281 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.010 -5.514 -2.279 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.153 -4.654 -1.579 1.00 0.00 C ATOM 0 H TRP A 49 -20.506 -8.405 -0.294 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.645 -8.334 -0.672 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.350 -6.426 -0.694 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.582 -6.648 1.028 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.093 -5.211 2.510 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.863 -3.925 2.274 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -16.849 -6.640 -2.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.822 -3.587 0.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -14.758 -5.823 -3.283 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.243 -4.303 -2.042 1.00 0.00 H new ATOM 790 N LYS A 50 -18.649 -9.092 2.344 1.00 0.00 N ATOM 791 CA LYS A 50 -18.139 -9.589 3.658 1.00 0.00 C ATOM 792 C LYS A 50 -17.647 -11.035 3.533 1.00 0.00 C ATOM 793 O LYS A 50 -16.820 -11.485 4.304 1.00 0.00 O ATOM 794 CB LYS A 50 -19.338 -9.510 4.605 1.00 0.00 C ATOM 795 CG LYS A 50 -19.473 -8.082 5.137 1.00 0.00 C ATOM 796 CD LYS A 50 -18.439 -7.849 6.241 1.00 0.00 C ATOM 797 CE LYS A 50 -18.843 -6.627 7.069 1.00 0.00 C ATOM 798 NZ LYS A 50 -18.014 -6.709 8.303 1.00 0.00 N ATOM 0 H LYS A 50 -19.665 -9.081 2.251 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.294 -9.001 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.248 -9.802 4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.208 -10.207 5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.325 -7.366 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.478 -7.921 5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.370 -8.729 6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.453 -7.695 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.652 -5.701 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.907 -6.644 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.234 -5.904 8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -18.222 -7.597 8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.006 -6.683 8.047 1.00 0.00 H new ATOM 812 N THR A 51 -18.153 -11.767 2.570 1.00 0.00 N ATOM 813 CA THR A 51 -17.720 -13.187 2.393 1.00 0.00 C ATOM 814 C THR A 51 -16.690 -13.316 1.259 1.00 0.00 C ATOM 815 O THR A 51 -16.044 -14.337 1.122 1.00 0.00 O ATOM 816 CB THR A 51 -18.999 -13.946 2.041 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.638 -13.312 0.942 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.940 -13.952 3.248 1.00 0.00 C ATOM 0 H THR A 51 -18.848 -11.441 1.898 1.00 0.00 H new ATOM 0 HA THR A 51 -17.238 -13.577 3.290 1.00 0.00 H new ATOM 0 HB THR A 51 -18.750 -14.973 1.773 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.557 -13.078 1.189 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.852 -14.493 2.996 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.449 -14.440 4.090 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.190 -12.926 3.519 1.00 0.00 H new ATOM 826 N MET A 52 -16.535 -12.297 0.445 1.00 0.00 N ATOM 827 CA MET A 52 -15.547 -12.374 -0.681 1.00 0.00 C ATOM 828 C MET A 52 -14.142 -12.662 -0.142 1.00 0.00 C ATOM 829 O MET A 52 -13.823 -12.342 0.987 1.00 0.00 O ATOM 830 CB MET A 52 -15.589 -10.997 -1.352 1.00 0.00 C ATOM 831 CG MET A 52 -15.089 -11.115 -2.799 1.00 0.00 C ATOM 832 SD MET A 52 -16.129 -10.111 -3.894 1.00 0.00 S ATOM 833 CE MET A 52 -14.985 -8.723 -4.086 1.00 0.00 C ATOM 0 H MET A 52 -17.048 -11.418 0.511 1.00 0.00 H new ATOM 0 HA MET A 52 -15.790 -13.175 -1.379 1.00 0.00 H new ATOM 0 HB2 MET A 52 -16.606 -10.605 -1.339 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.969 -10.292 -0.798 1.00 0.00 H new ATOM 0 HG2 MET A 52 -14.052 -10.784 -2.863 1.00 0.00 H new ATOM 0 HG3 MET A 52 -15.111 -12.157 -3.117 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.546 -7.789 -4.103 1.00 0.00 H new ATOM 0 HE2 MET A 52 -14.284 -8.711 -3.251 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.434 -8.832 -5.020 1.00 0.00 H new ATOM 843 N SER A 53 -13.304 -13.267 -0.945 1.00 0.00 N ATOM 844 CA SER A 53 -11.916 -13.584 -0.492 1.00 0.00 C ATOM 845 C SER A 53 -10.961 -12.452 -0.877 1.00 0.00 C ATOM 846 O SER A 53 -11.347 -11.496 -1.522 1.00 0.00 O ATOM 847 CB SER A 53 -11.546 -14.871 -1.227 1.00 0.00 C ATOM 848 OG SER A 53 -11.665 -14.664 -2.628 1.00 0.00 O ATOM 0 H SER A 53 -13.522 -13.556 -1.898 1.00 0.00 H new ATOM 0 HA SER A 53 -11.850 -13.698 0.590 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.527 -15.166 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.200 -15.684 -0.911 1.00 0.00 H new ATOM 0 HG SER A 53 -11.426 -15.488 -3.102 1.00 0.00 H new ATOM 854 N ALA A 54 -9.717 -12.558 -0.485 1.00 0.00 N ATOM 855 CA ALA A 54 -8.724 -11.491 -0.821 1.00 0.00 C ATOM 856 C ALA A 54 -8.461 -11.464 -2.331 1.00 0.00 C ATOM 857 O ALA A 54 -8.094 -10.445 -2.884 1.00 0.00 O ATOM 858 CB ALA A 54 -7.451 -11.872 -0.064 1.00 0.00 C ATOM 0 H ALA A 54 -9.344 -13.339 0.055 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.081 -10.499 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.675 -11.133 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.659 -11.902 1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.111 -12.853 -0.395 1.00 0.00 H new ATOM 864 N LYS A 55 -8.647 -12.575 -2.999 1.00 0.00 N ATOM 865 CA LYS A 55 -8.408 -12.616 -4.475 1.00 0.00 C ATOM 866 C LYS A 55 -9.479 -11.799 -5.201 1.00 0.00 C ATOM 867 O LYS A 55 -9.239 -11.244 -6.257 1.00 0.00 O ATOM 868 CB LYS A 55 -8.505 -14.093 -4.860 1.00 0.00 C ATOM 869 CG LYS A 55 -7.202 -14.805 -4.491 1.00 0.00 C ATOM 870 CD LYS A 55 -7.165 -16.181 -5.159 1.00 0.00 C ATOM 871 CE LYS A 55 -8.067 -17.148 -4.387 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.219 -17.658 -3.273 1.00 0.00 N ATOM 0 H LYS A 55 -8.954 -13.456 -2.586 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.441 -12.193 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.345 -14.559 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.694 -14.189 -5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.347 -14.210 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.128 -14.912 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.498 -16.104 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.143 -16.559 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.955 -16.642 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.412 -17.962 -5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.810 -17.821 -2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.770 -18.551 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.484 -16.958 -3.048 1.00 0.00 H new ATOM 886 N GLU A 56 -10.658 -11.723 -4.639 1.00 0.00 N ATOM 887 CA GLU A 56 -11.755 -10.943 -5.286 1.00 0.00 C ATOM 888 C GLU A 56 -11.790 -9.520 -4.724 1.00 0.00 C ATOM 889 O GLU A 56 -11.779 -8.552 -5.461 1.00 0.00 O ATOM 890 CB GLU A 56 -13.036 -11.696 -4.927 1.00 0.00 C ATOM 891 CG GLU A 56 -13.211 -12.882 -5.875 1.00 0.00 C ATOM 892 CD GLU A 56 -14.652 -13.389 -5.800 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.539 -12.656 -6.208 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.846 -14.500 -5.336 1.00 0.00 O ATOM 0 H GLU A 56 -10.909 -12.169 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.623 -10.854 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.989 -12.045 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.895 -11.029 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.972 -12.583 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.519 -13.680 -5.607 1.00 0.00 H new ATOM 901 N LYS A 57 -11.830 -9.387 -3.420 1.00 0.00 N ATOM 902 CA LYS A 57 -11.864 -8.023 -2.796 1.00 0.00 C ATOM 903 C LYS A 57 -10.666 -7.184 -3.266 1.00 0.00 C ATOM 904 O LYS A 57 -10.711 -5.968 -3.254 1.00 0.00 O ATOM 905 CB LYS A 57 -11.782 -8.271 -1.283 1.00 0.00 C ATOM 906 CG LYS A 57 -13.139 -7.987 -0.635 1.00 0.00 C ATOM 907 CD LYS A 57 -13.046 -8.226 0.874 1.00 0.00 C ATOM 908 CE LYS A 57 -13.937 -7.222 1.608 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.891 -7.641 3.036 1.00 0.00 N ATOM 0 H LYS A 57 -11.841 -10.164 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.763 -7.472 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.486 -9.302 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.017 -7.632 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.440 -6.958 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.903 -8.632 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.356 -9.244 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.013 -8.122 1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.570 -6.203 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.956 -7.243 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.479 -6.999 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.252 -8.612 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.909 -7.605 3.377 1.00 0.00 H new ATOM 923 N SER A 58 -9.599 -7.826 -3.676 1.00 0.00 N ATOM 924 CA SER A 58 -8.399 -7.067 -4.146 1.00 0.00 C ATOM 925 C SER A 58 -8.725 -6.302 -5.433 1.00 0.00 C ATOM 926 O SER A 58 -8.138 -5.274 -5.716 1.00 0.00 O ATOM 927 CB SER A 58 -7.329 -8.128 -4.411 1.00 0.00 C ATOM 928 OG SER A 58 -7.867 -9.135 -5.258 1.00 0.00 O ATOM 0 H SER A 58 -9.508 -8.841 -3.705 1.00 0.00 H new ATOM 0 HA SER A 58 -8.068 -6.331 -3.413 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.456 -7.672 -4.878 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.995 -8.567 -3.471 1.00 0.00 H new ATOM 0 HG SER A 58 -7.184 -9.816 -5.431 1.00 0.00 H new ATOM 934 N LYS A 59 -9.654 -6.798 -6.210 1.00 0.00 N ATOM 935 CA LYS A 59 -10.022 -6.102 -7.482 1.00 0.00 C ATOM 936 C LYS A 59 -10.742 -4.785 -7.178 1.00 0.00 C ATOM 937 O LYS A 59 -10.683 -3.844 -7.948 1.00 0.00 O ATOM 938 CB LYS A 59 -10.958 -7.068 -8.214 1.00 0.00 C ATOM 939 CG LYS A 59 -11.104 -6.630 -9.673 1.00 0.00 C ATOM 940 CD LYS A 59 -11.881 -7.695 -10.450 1.00 0.00 C ATOM 941 CE LYS A 59 -13.374 -7.566 -10.141 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.987 -8.813 -10.678 1.00 0.00 N ATOM 0 H LYS A 59 -10.174 -7.655 -6.019 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.146 -5.854 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.561 -8.082 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.934 -7.084 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.624 -5.674 -9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.121 -6.483 -10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.709 -7.577 -11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.527 -8.689 -10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.549 -7.470 -9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.800 -6.681 -10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.012 -8.799 -10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.810 -8.874 -11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.567 -9.638 -10.205 1.00 0.00 H new ATOM 956 N PHE A 60 -11.423 -4.716 -6.062 1.00 0.00 N ATOM 957 CA PHE A 60 -12.152 -3.463 -5.700 1.00 0.00 C ATOM 958 C PHE A 60 -11.251 -2.545 -4.869 1.00 0.00 C ATOM 959 O PHE A 60 -11.396 -1.337 -4.888 1.00 0.00 O ATOM 960 CB PHE A 60 -13.351 -3.929 -4.872 1.00 0.00 C ATOM 961 CG PHE A 60 -14.421 -4.463 -5.793 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.190 -3.580 -6.561 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.645 -5.842 -5.879 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.183 -4.075 -7.414 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.638 -6.338 -6.732 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.407 -5.455 -7.500 1.00 0.00 C ATOM 0 H PHE A 60 -11.506 -5.475 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.457 -2.895 -6.579 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.042 -4.702 -4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.744 -3.100 -4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.017 -2.516 -6.495 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.052 -6.523 -5.287 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.776 -3.393 -8.006 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.811 -7.402 -6.798 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.173 -5.838 -8.158 1.00 0.00 H new ATOM 976 N GLU A 61 -10.321 -3.111 -4.142 1.00 0.00 N ATOM 977 CA GLU A 61 -9.405 -2.276 -3.304 1.00 0.00 C ATOM 978 C GLU A 61 -8.449 -1.478 -4.196 1.00 0.00 C ATOM 979 O GLU A 61 -7.987 -0.415 -3.827 1.00 0.00 O ATOM 980 CB GLU A 61 -8.626 -3.273 -2.443 1.00 0.00 C ATOM 981 CG GLU A 61 -9.502 -3.736 -1.277 1.00 0.00 C ATOM 982 CD GLU A 61 -8.643 -4.488 -0.260 1.00 0.00 C ATOM 983 OE1 GLU A 61 -8.501 -5.690 -0.406 1.00 0.00 O ATOM 984 OE2 GLU A 61 -8.141 -3.847 0.650 1.00 0.00 O ATOM 0 H GLU A 61 -10.156 -4.116 -4.092 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.951 -1.554 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.322 -4.129 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.715 -2.809 -2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.978 -2.878 -0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.301 -4.382 -1.642 1.00 0.00 H new ATOM 991 N ASP A 62 -8.151 -1.985 -5.366 1.00 0.00 N ATOM 992 CA ASP A 62 -7.224 -1.261 -6.288 1.00 0.00 C ATOM 993 C ASP A 62 -7.978 -0.167 -7.047 1.00 0.00 C ATOM 994 O ASP A 62 -7.416 0.853 -7.401 1.00 0.00 O ATOM 995 CB ASP A 62 -6.711 -2.329 -7.256 1.00 0.00 C ATOM 996 CG ASP A 62 -5.441 -1.827 -7.944 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.459 -1.617 -7.251 1.00 0.00 O ATOM 998 OD2 ASP A 62 -5.472 -1.663 -9.153 1.00 0.00 O ATOM 0 H ASP A 62 -8.510 -2.870 -5.723 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.410 -0.772 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.504 -3.254 -6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.474 -2.557 -8.000 1.00 0.00 H new ATOM 1003 N MET A 63 -9.246 -0.372 -7.299 1.00 0.00 N ATOM 1004 CA MET A 63 -10.045 0.654 -8.038 1.00 0.00 C ATOM 1005 C MET A 63 -10.293 1.872 -7.144 1.00 0.00 C ATOM 1006 O MET A 63 -10.396 2.989 -7.618 1.00 0.00 O ATOM 1007 CB MET A 63 -11.368 -0.040 -8.388 1.00 0.00 C ATOM 1008 CG MET A 63 -11.694 0.182 -9.866 1.00 0.00 C ATOM 1009 SD MET A 63 -13.320 -0.520 -10.239 1.00 0.00 S ATOM 1010 CE MET A 63 -13.541 0.263 -11.855 1.00 0.00 C ATOM 0 H MET A 63 -9.764 -1.207 -7.025 1.00 0.00 H new ATOM 0 HA MET A 63 -9.531 1.014 -8.929 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.296 -1.107 -8.178 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.172 0.354 -7.766 1.00 0.00 H new ATOM 0 HG2 MET A 63 -11.685 1.248 -10.095 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.933 -0.285 -10.491 1.00 0.00 H new ATOM 0 HE1 MET A 63 -14.500 -0.038 -12.277 1.00 0.00 H new ATOM 0 HE2 MET A 63 -13.519 1.347 -11.740 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.737 -0.048 -12.523 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.392 1.663 -5.855 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.635 2.806 -4.923 1.00 0.00 C ATOM 1022 C ALA A 64 -9.335 3.581 -4.686 1.00 0.00 C ATOM 1023 O ALA A 64 -9.323 4.797 -4.670 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.120 2.164 -3.623 1.00 0.00 C ATOM 0 H ALA A 64 -10.315 0.750 -5.408 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.360 3.515 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.320 2.942 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.034 1.601 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.352 1.491 -3.241 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.243 2.882 -4.504 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.937 3.572 -4.268 1.00 0.00 C ATOM 1032 C LYS A 65 -6.537 4.384 -5.502 1.00 0.00 C ATOM 1033 O LYS A 65 -5.857 5.388 -5.401 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.927 2.451 -4.016 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.635 3.044 -3.449 1.00 0.00 C ATOM 1036 CD LYS A 65 -4.828 3.364 -1.965 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.461 3.518 -1.294 1.00 0.00 C ATOM 1038 NZ LYS A 65 -3.748 3.515 0.167 1.00 0.00 N ATOM 0 H LYS A 65 -8.199 1.863 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.988 4.267 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.342 1.723 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.719 1.920 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.813 2.340 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.367 3.949 -3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.406 4.281 -1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.395 2.569 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.793 2.701 -1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.973 4.444 -1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.858 3.617 0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.381 4.307 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.206 2.619 0.429 1.00 0.00 H new ATOM 1052 N SER A 66 -6.957 3.957 -6.666 1.00 0.00 N ATOM 1053 CA SER A 66 -6.605 4.700 -7.915 1.00 0.00 C ATOM 1054 C SER A 66 -7.257 6.085 -7.907 1.00 0.00 C ATOM 1055 O SER A 66 -6.667 7.060 -8.335 1.00 0.00 O ATOM 1056 CB SER A 66 -7.163 3.854 -9.061 1.00 0.00 C ATOM 1057 OG SER A 66 -6.732 4.399 -10.300 1.00 0.00 O ATOM 0 H SER A 66 -7.529 3.124 -6.806 1.00 0.00 H new ATOM 0 HA SER A 66 -5.530 4.852 -8.011 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.823 2.823 -8.966 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.252 3.836 -9.018 1.00 0.00 H new ATOM 0 HG SER A 66 -7.087 3.858 -11.036 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.469 6.177 -7.421 1.00 0.00 N ATOM 1064 CA ASP A 67 -9.169 7.495 -7.380 1.00 0.00 C ATOM 1065 C ASP A 67 -8.868 8.216 -6.063 1.00 0.00 C ATOM 1066 O ASP A 67 -8.874 9.430 -5.996 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.657 7.157 -7.479 1.00 0.00 C ATOM 1068 CG ASP A 67 -11.007 6.804 -8.927 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -11.128 7.719 -9.725 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.147 5.627 -9.211 1.00 0.00 O ATOM 0 H ASP A 67 -9.005 5.393 -7.050 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.847 8.157 -8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.895 6.320 -6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.256 8.004 -7.145 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.606 7.473 -5.017 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.303 8.108 -3.697 1.00 0.00 C ATOM 1077 C LYS A 68 -6.930 8.783 -3.736 1.00 0.00 C ATOM 1078 O LYS A 68 -6.683 9.748 -3.036 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.307 6.958 -2.687 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.613 7.504 -1.291 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.962 6.605 -0.237 1.00 0.00 C ATOM 1082 CE LYS A 68 -6.449 6.834 -0.234 1.00 0.00 C ATOM 1083 NZ LYS A 68 -5.987 6.322 1.086 1.00 0.00 N ATOM 0 H LYS A 68 -8.589 6.453 -5.020 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.029 8.879 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.053 6.215 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.340 6.456 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.238 8.523 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.691 7.546 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.375 6.823 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.182 5.559 -0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.967 6.302 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.209 7.890 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.957 6.444 1.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.458 6.851 1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.223 5.313 1.169 1.00 0.00 H new ATOM 1097 N ALA A 69 -6.035 8.280 -4.549 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.672 8.885 -4.641 1.00 0.00 C ATOM 1099 C ALA A 69 -4.671 10.065 -5.620 1.00 0.00 C ATOM 1100 O ALA A 69 -3.836 10.945 -5.538 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.776 7.760 -5.158 1.00 0.00 C ATOM 0 H ALA A 69 -6.191 7.474 -5.154 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.331 9.274 -3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.753 8.124 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.800 6.925 -4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.135 7.427 -6.132 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.598 10.088 -6.547 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.652 11.211 -7.537 1.00 0.00 C ATOM 1109 C ARG A 70 -5.802 12.555 -6.817 1.00 0.00 C ATOM 1110 O ARG A 70 -5.266 13.560 -7.247 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.884 10.929 -8.400 1.00 0.00 C ATOM 1112 CG ARG A 70 -6.974 11.969 -9.517 1.00 0.00 C ATOM 1113 CD ARG A 70 -8.152 11.631 -10.436 1.00 0.00 C ATOM 1114 NE ARG A 70 -8.367 12.857 -11.257 1.00 0.00 N ATOM 1115 CZ ARG A 70 -9.037 12.783 -12.374 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -10.341 12.814 -12.356 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -8.403 12.678 -13.510 1.00 0.00 N ATOM 0 H ARG A 70 -6.321 9.377 -6.661 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.741 11.271 -8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.821 9.927 -8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.785 10.959 -7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.104 12.964 -9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.046 11.986 -10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.927 10.770 -11.065 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.043 11.381 -9.860 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.991 13.752 -10.946 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.837 12.896 -11.468 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.865 12.756 -13.229 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.383 12.654 -13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.927 12.620 -14.383 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.526 12.578 -5.727 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.715 13.856 -4.974 1.00 0.00 C ATOM 1133 C TYR A 71 -5.393 14.302 -4.340 1.00 0.00 C ATOM 1134 O TYR A 71 -5.174 15.476 -4.105 1.00 0.00 O ATOM 1135 CB TYR A 71 -7.747 13.537 -3.889 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.500 14.794 -3.525 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -9.550 15.240 -4.338 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -8.149 15.513 -2.378 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -10.249 16.404 -4.001 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -8.847 16.679 -2.041 1.00 0.00 C ATOM 1141 CZ TYR A 71 -9.898 17.125 -2.853 1.00 0.00 C ATOM 1142 OH TYR A 71 -10.586 18.273 -2.521 1.00 0.00 O ATOM 0 H TYR A 71 -6.995 11.766 -5.325 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.046 14.666 -5.624 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.441 12.775 -4.245 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.250 13.130 -3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.820 14.685 -5.225 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.339 15.169 -1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.060 16.747 -4.627 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.575 17.234 -1.155 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.216 18.649 -1.695 1.00 0.00 H new ATOM 1152 N ASP A 72 -4.513 13.373 -4.059 1.00 0.00 N ATOM 1153 CA ASP A 72 -3.200 13.738 -3.438 1.00 0.00 C ATOM 1154 C ASP A 72 -2.423 14.704 -4.341 1.00 0.00 C ATOM 1155 O ASP A 72 -1.562 15.430 -3.882 1.00 0.00 O ATOM 1156 CB ASP A 72 -2.441 12.417 -3.294 1.00 0.00 C ATOM 1157 CG ASP A 72 -1.260 12.608 -2.341 1.00 0.00 C ATOM 1158 OD1 ASP A 72 -1.474 12.539 -1.143 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -0.161 12.819 -2.826 1.00 0.00 O ATOM 0 H ASP A 72 -4.646 12.377 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.333 14.241 -2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.107 11.642 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.085 12.082 -4.268 1.00 0.00 H new ATOM 1164 N ARG A 73 -2.715 14.713 -5.617 1.00 0.00 N ATOM 1165 CA ARG A 73 -1.989 15.629 -6.552 1.00 0.00 C ATOM 1166 C ARG A 73 -2.951 16.619 -7.220 1.00 0.00 C ATOM 1167 O ARG A 73 -2.530 17.615 -7.780 1.00 0.00 O ATOM 1168 CB ARG A 73 -1.360 14.715 -7.608 1.00 0.00 C ATOM 1169 CG ARG A 73 -2.443 13.873 -8.293 1.00 0.00 C ATOM 1170 CD ARG A 73 -1.972 13.474 -9.693 1.00 0.00 C ATOM 1171 NE ARG A 73 -0.809 12.573 -9.465 1.00 0.00 N ATOM 1172 CZ ARG A 73 -0.559 11.605 -10.303 1.00 0.00 C ATOM 1173 NH1 ARG A 73 0.186 11.827 -11.352 1.00 0.00 N ATOM 1174 NH2 ARG A 73 -1.052 10.415 -10.094 1.00 0.00 N ATOM 0 H ARG A 73 -3.425 14.125 -6.053 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.246 16.225 -6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.832 15.314 -8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.622 14.062 -7.141 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.654 12.982 -7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.372 14.440 -8.358 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.762 12.966 -10.246 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.685 14.348 -10.277 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.207 12.713 -8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.572 12.757 -11.516 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.382 11.071 -12.008 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.634 10.241 -9.274 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.856 9.659 -10.750 1.00 0.00 H new ATOM 1188 N GLU A 74 -4.234 16.352 -7.181 1.00 0.00 N ATOM 1189 CA GLU A 74 -5.215 17.273 -7.831 1.00 0.00 C ATOM 1190 C GLU A 74 -5.106 18.688 -7.251 1.00 0.00 C ATOM 1191 O GLU A 74 -4.863 19.641 -7.967 1.00 0.00 O ATOM 1192 CB GLU A 74 -6.587 16.672 -7.525 1.00 0.00 C ATOM 1193 CG GLU A 74 -7.669 17.470 -8.250 1.00 0.00 C ATOM 1194 CD GLU A 74 -7.740 17.025 -9.712 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -8.199 15.920 -9.952 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -7.334 17.796 -10.566 1.00 0.00 O ATOM 0 H GLU A 74 -4.643 15.536 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.035 17.364 -8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.617 15.629 -7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.770 16.685 -6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.634 17.318 -7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.448 18.536 -8.194 1.00 0.00 H new ATOM 1203 N MET A 75 -5.290 18.831 -5.962 1.00 0.00 N ATOM 1204 CA MET A 75 -5.206 20.186 -5.336 1.00 0.00 C ATOM 1205 C MET A 75 -4.249 20.164 -4.139 1.00 0.00 C ATOM 1206 O MET A 75 -4.619 20.501 -3.030 1.00 0.00 O ATOM 1207 CB MET A 75 -6.632 20.499 -4.880 1.00 0.00 C ATOM 1208 CG MET A 75 -7.438 21.043 -6.061 1.00 0.00 C ATOM 1209 SD MET A 75 -6.906 22.734 -6.427 1.00 0.00 S ATOM 1210 CE MET A 75 -8.043 23.578 -5.301 1.00 0.00 C ATOM 0 H MET A 75 -5.495 18.068 -5.317 1.00 0.00 H new ATOM 0 HA MET A 75 -4.824 20.937 -6.028 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.105 19.599 -4.487 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.614 21.229 -4.071 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.295 20.408 -6.936 1.00 0.00 H new ATOM 0 HG3 MET A 75 -8.502 21.028 -5.826 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.886 24.655 -5.365 1.00 0.00 H new ATOM 0 HE2 MET A 75 -9.071 23.344 -5.579 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.859 23.244 -4.280 1.00 0.00 H new ATOM 1220 N LYS A 76 -3.020 19.773 -4.361 1.00 0.00 N ATOM 1221 CA LYS A 76 -2.029 19.728 -3.244 1.00 0.00 C ATOM 1222 C LYS A 76 -0.632 20.084 -3.761 1.00 0.00 C ATOM 1223 O LYS A 76 0.059 19.258 -4.325 1.00 0.00 O ATOM 1224 CB LYS A 76 -2.064 18.285 -2.743 1.00 0.00 C ATOM 1225 CG LYS A 76 -3.413 18.009 -2.076 1.00 0.00 C ATOM 1226 CD LYS A 76 -3.229 16.975 -0.962 1.00 0.00 C ATOM 1227 CE LYS A 76 -2.626 17.653 0.270 1.00 0.00 C ATOM 1228 NZ LYS A 76 -2.889 16.713 1.394 1.00 0.00 N ATOM 0 H LYS A 76 -2.659 19.482 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.265 20.440 -2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.909 17.597 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.254 18.115 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.824 18.932 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.127 17.642 -2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.188 16.523 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.578 16.170 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.557 17.826 0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.087 18.624 0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.504 17.109 2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.914 16.573 1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.433 15.800 1.197 1.00 0.00 H new ATOM 1242 N ASN A 77 -0.217 21.311 -3.571 1.00 0.00 N ATOM 1243 CA ASN A 77 1.136 21.732 -4.048 1.00 0.00 C ATOM 1244 C ASN A 77 1.966 22.264 -2.878 1.00 0.00 C ATOM 1245 O ASN A 77 1.411 22.976 -2.057 1.00 0.00 O ATOM 1246 CB ASN A 77 0.868 22.842 -5.064 1.00 0.00 C ATOM 1247 CG ASN A 77 0.385 22.226 -6.379 1.00 0.00 C ATOM 1248 OD1 ASN A 77 1.020 21.341 -6.918 1.00 0.00 O ATOM 1249 ND2 ASN A 77 -0.721 22.658 -6.921 1.00 0.00 N ATOM 1250 OXT ASN A 77 3.144 21.952 -2.823 1.00 0.00 O ATOM 0 H ASN A 77 -0.757 22.040 -3.106 1.00 0.00 H new ATOM 0 HA ASN A 77 1.697 20.906 -4.485 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.118 23.531 -4.676 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.776 23.421 -5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.052 22.253 -7.797 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.254 23.401 -6.469 1.00 0.00 H new TER 1257 ASN A 77