USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1031 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 15 TYR OH : rot 180:sc= 0.477 USER MOD Set 1.2: A 45 SER OG : rot 61:sc= -0.238 USER MOD Set 2.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 40 MET CE :methyl -124:sc= -0.045 (180deg=-1.9!) USER MOD Set 3.1: A 21 THR OG1 : rot 150:sc= 0 USER MOD Set 3.2: A 62 MET CE :methyl -160:sc= -1.2 (180deg=-1.87) USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0.25 USER MOD Set 4.2: A 14 SER OG : rot 180:sc= 0.00579 USER MOD Set 5.1: A 7 LYS NZ :NH3+ -164:sc= 1.24 (180deg=-0.224) USER MOD Set 5.2: A 77 TYR OH : rot 180:sc= 1.14 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.086 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0166) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 151:sc= -2.02 (180deg=-3.45) USER MOD Single : A 20 GLN : amide:sc= -6.61! K(o=-6.6!,f=-2.8) USER MOD Single : A 22 CYS SG : rot 84:sc= 1.02 USER MOD Single : A 26 HIS : no HD1:sc= -0.0505 X(o=-0.05,f=-0.011) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0.141 (180deg=-0.179) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.0351 (180deg=-0.265) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= 0.634 K(o=0.63,f=-3.7!) USER MOD Single : A 34 SER OG : rot -46:sc= 0.0392 USER MOD Single : A 36 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.047) USER MOD Single : A 41 SER OG : rot 110:sc= 2.35 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0.915 (180deg=0.629) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 166:sc= 0.233 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -77:sc= 1.19 USER MOD Single : A 51 MET CE :methyl 179:sc= -0.979 (180deg=-1.03) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 153:sc= 0.752 (180deg=0.355) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.981) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -120:sc= -0.848 (180deg=-3.66!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 4:sc= 0.801 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.1!) USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 71:sc= 0.562 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 ASN : amide:sc= 0.404 K(o=0.4,f=-8.4!) USER MOD Single : B 30 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0.0212 USER MOD Single : B 38 GLN : amide:sc= -0.0802 K(o=-0.08,f=-0.66) USER MOD Single : B 44 MET CE :methyl -176:sc= -1.37 (180deg=-1.48) USER MOD Single : B 46 SER OG : rot -60:sc= 1.01 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 THR OG1 : rot 44:sc= 0.0134 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.365 0.469 -6.588 1.00 0.00 N ATOM 2 CA GLY A 1 24.205 1.390 -6.596 1.00 0.00 C ATOM 3 C GLY A 1 23.203 1.046 -5.515 1.00 0.00 C ATOM 4 O GLY A 1 23.223 -0.064 -4.979 1.00 0.00 O ATOM 0 H1 GLY A 1 26.190 0.953 -6.180 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.138 -0.370 -6.016 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.582 0.176 -7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.553 2.413 -6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.717 1.350 -7.570 1.00 0.00 H new ATOM 10 N LYS A 2 22.340 1.999 -5.182 1.00 0.00 N ATOM 11 CA LYS A 2 21.279 1.772 -4.201 1.00 0.00 C ATOM 12 C LYS A 2 20.215 2.863 -4.284 1.00 0.00 C ATOM 13 O LYS A 2 19.223 2.832 -3.554 1.00 0.00 O ATOM 14 CB LYS A 2 21.847 1.718 -2.777 1.00 0.00 C ATOM 15 CG LYS A 2 22.471 3.025 -2.307 1.00 0.00 C ATOM 16 CD LYS A 2 22.832 2.965 -0.832 1.00 0.00 C ATOM 17 CE LYS A 2 23.427 4.275 -0.338 1.00 0.00 C ATOM 18 NZ LYS A 2 24.778 4.529 -0.907 1.00 0.00 N1+ ATOM 0 H LYS A 2 22.352 2.939 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 2 20.820 0.811 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.048 1.441 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 2 22.599 0.930 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.365 3.236 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.775 3.846 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.941 2.729 -0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 2 23.545 2.157 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.762 5.097 -0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.491 4.256 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.172 5.397 -0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 25.403 3.726 -0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 24.705 4.642 -1.938 1.00 0.00 H new ATOM 32 N GLY A 3 20.416 3.818 -5.181 1.00 0.00 N ATOM 33 CA GLY A 3 19.517 4.950 -5.267 1.00 0.00 C ATOM 34 C GLY A 3 19.874 6.019 -4.256 1.00 0.00 C ATOM 35 O GLY A 3 21.031 6.125 -3.840 1.00 0.00 O ATOM 0 H GLY A 3 21.186 3.829 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 3 19.555 5.371 -6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 3 18.493 4.616 -5.099 1.00 0.00 H new ATOM 39 N ASP A 4 18.894 6.806 -3.847 1.00 0.00 N ATOM 40 CA ASP A 4 19.131 7.849 -2.858 1.00 0.00 C ATOM 41 C ASP A 4 18.604 7.409 -1.498 1.00 0.00 C ATOM 42 O ASP A 4 17.436 7.037 -1.370 1.00 0.00 O ATOM 43 CB ASP A 4 18.465 9.155 -3.284 1.00 0.00 C ATOM 44 CG ASP A 4 18.994 10.340 -2.506 1.00 0.00 C ATOM 45 OD1 ASP A 4 20.056 10.877 -2.892 1.00 0.00 O1- ATOM 46 OD2 ASP A 4 18.366 10.738 -1.506 1.00 0.00 O ATOM 0 H ASP A 4 17.932 6.746 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 4 20.205 8.019 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 4 18.632 9.317 -4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 4 17.388 9.077 -3.138 1.00 0.00 H new ATOM 51 N PRO A 5 19.459 7.445 -0.462 1.00 0.00 N ATOM 52 CA PRO A 5 19.116 6.943 0.872 1.00 0.00 C ATOM 53 C PRO A 5 18.267 7.912 1.694 1.00 0.00 C ATOM 54 O PRO A 5 18.138 7.759 2.908 1.00 0.00 O ATOM 55 CB PRO A 5 20.484 6.742 1.519 1.00 0.00 C ATOM 56 CG PRO A 5 21.357 7.772 0.886 1.00 0.00 C ATOM 57 CD PRO A 5 20.839 7.967 -0.515 1.00 0.00 C ATOM 0 HA PRO A 5 18.504 6.043 0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.434 6.875 2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.863 5.736 1.339 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.323 8.707 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.397 7.445 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 5 20.857 9.018 -0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 5 21.443 7.425 -1.243 1.00 0.00 H new ATOM 65 N LYS A 6 17.688 8.904 1.035 1.00 0.00 N ATOM 66 CA LYS A 6 16.803 9.845 1.710 1.00 0.00 C ATOM 67 C LYS A 6 15.420 9.822 1.075 1.00 0.00 C ATOM 68 O LYS A 6 14.679 10.802 1.120 1.00 0.00 O ATOM 69 CB LYS A 6 17.371 11.267 1.684 1.00 0.00 C ATOM 70 CG LYS A 6 18.730 11.401 2.351 1.00 0.00 C ATOM 71 CD LYS A 6 18.986 12.831 2.805 1.00 0.00 C ATOM 72 CE LYS A 6 18.718 13.833 1.693 1.00 0.00 C ATOM 73 NZ LYS A 6 18.869 15.238 2.156 1.00 0.00 N1+ ATOM 0 H LYS A 6 17.813 9.079 0.038 1.00 0.00 H new ATOM 0 HA LYS A 6 16.722 9.534 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.452 11.596 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.668 11.938 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.784 10.730 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.511 11.093 1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.351 13.060 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 6 20.019 12.927 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.404 13.649 0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.709 13.685 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.677 15.886 1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.196 15.424 2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.839 15.388 2.499 1.00 0.00 H new ATOM 87 N LYS A 7 15.075 8.688 0.494 1.00 0.00 N ATOM 88 CA LYS A 7 13.764 8.511 -0.110 1.00 0.00 C ATOM 89 C LYS A 7 12.764 7.955 0.898 1.00 0.00 C ATOM 90 O LYS A 7 12.936 6.846 1.408 1.00 0.00 O ATOM 91 CB LYS A 7 13.850 7.582 -1.320 1.00 0.00 C ATOM 92 CG LYS A 7 14.280 8.278 -2.598 1.00 0.00 C ATOM 93 CD LYS A 7 14.465 7.289 -3.735 1.00 0.00 C ATOM 94 CE LYS A 7 14.513 7.990 -5.083 1.00 0.00 C ATOM 95 NZ LYS A 7 13.184 8.544 -5.464 1.00 0.00 N1+ ATOM 0 H LYS A 7 15.685 7.873 0.427 1.00 0.00 H new ATOM 0 HA LYS A 7 13.416 9.491 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.554 6.779 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.877 7.118 -1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.533 9.021 -2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.213 8.814 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.387 6.727 -3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.647 6.568 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.247 8.796 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.847 7.288 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.180 8.769 -6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.444 7.842 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.999 9.409 -4.917 1.00 0.00 H new ATOM 109 N PRO A 8 11.719 8.731 1.214 1.00 0.00 N ATOM 110 CA PRO A 8 10.621 8.275 2.049 1.00 0.00 C ATOM 111 C PRO A 8 9.515 7.647 1.208 1.00 0.00 C ATOM 112 O PRO A 8 9.365 7.970 0.027 1.00 0.00 O ATOM 113 CB PRO A 8 10.141 9.566 2.708 1.00 0.00 C ATOM 114 CG PRO A 8 10.461 10.655 1.727 1.00 0.00 C ATOM 115 CD PRO A 8 11.527 10.127 0.791 1.00 0.00 C ATOM 0 HA PRO A 8 10.913 7.506 2.764 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.072 9.527 2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.646 9.733 3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.570 10.942 1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.814 11.546 2.246 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.209 10.188 -0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.451 10.700 0.876 1.00 0.00 H new ATOM 123 N ARG A 9 8.745 6.755 1.805 1.00 0.00 N ATOM 124 CA ARG A 9 7.681 6.079 1.078 1.00 0.00 C ATOM 125 C ARG A 9 6.429 6.930 1.035 1.00 0.00 C ATOM 126 O ARG A 9 5.598 6.799 0.138 1.00 0.00 O ATOM 127 CB ARG A 9 7.397 4.724 1.708 1.00 0.00 C ATOM 128 CG ARG A 9 8.338 3.648 1.217 1.00 0.00 C ATOM 129 CD ARG A 9 8.637 2.630 2.297 1.00 0.00 C ATOM 130 NE ARG A 9 9.347 3.243 3.417 1.00 0.00 N ATOM 131 CZ ARG A 9 10.517 2.805 3.882 1.00 0.00 C ATOM 132 NH1 ARG A 9 11.095 1.736 3.342 1.00 0.00 N1+ ATOM 133 NH2 ARG A 9 11.117 3.457 4.869 1.00 0.00 N ATOM 0 H ARG A 9 8.834 6.482 2.784 1.00 0.00 H new ATOM 0 HA ARG A 9 8.009 5.922 0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.479 4.807 2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.370 4.432 1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.899 3.146 0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.268 4.105 0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.706 2.187 2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.237 1.820 1.882 1.00 0.00 H new ATOM 0 HE ARG A 9 8.923 4.053 3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.643 1.248 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.990 1.404 3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.683 4.289 5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.012 3.126 5.229 1.00 0.00 H new ATOM 147 N GLY A 10 6.297 7.795 2.018 1.00 0.00 N ATOM 148 CA GLY A 10 5.223 8.759 2.010 1.00 0.00 C ATOM 149 C GLY A 10 4.269 8.577 3.163 1.00 0.00 C ATOM 150 O GLY A 10 4.686 8.348 4.296 1.00 0.00 O ATOM 0 H GLY A 10 6.916 7.849 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.642 9.764 2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.673 8.677 1.072 1.00 0.00 H new ATOM 154 N LYS A 11 2.983 8.662 2.868 1.00 0.00 N ATOM 155 CA LYS A 11 1.948 8.568 3.887 1.00 0.00 C ATOM 156 C LYS A 11 1.471 7.129 4.032 1.00 0.00 C ATOM 157 O LYS A 11 0.358 6.872 4.498 1.00 0.00 O ATOM 158 CB LYS A 11 0.781 9.485 3.522 1.00 0.00 C ATOM 159 CG LYS A 11 1.184 10.944 3.391 1.00 0.00 C ATOM 160 CD LYS A 11 0.017 11.816 2.956 1.00 0.00 C ATOM 161 CE LYS A 11 -1.103 11.815 3.975 1.00 0.00 C ATOM 162 NZ LYS A 11 -2.272 12.615 3.523 1.00 0.00 N1+ ATOM 0 H LYS A 11 2.627 8.797 1.922 1.00 0.00 H new ATOM 0 HA LYS A 11 2.363 8.886 4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.344 9.150 2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.006 9.396 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.569 11.302 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.994 11.034 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.365 12.837 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.364 11.461 1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.418 10.789 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.734 12.215 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.014 12.587 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.979 13.600 3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.642 12.218 2.636 1.00 0.00 H new ATOM 176 N MET A 12 2.325 6.198 3.621 1.00 0.00 N ATOM 177 CA MET A 12 2.010 4.778 3.679 1.00 0.00 C ATOM 178 C MET A 12 1.734 4.338 5.109 1.00 0.00 C ATOM 179 O MET A 12 2.626 4.337 5.956 1.00 0.00 O ATOM 180 CB MET A 12 3.147 3.947 3.086 1.00 0.00 C ATOM 181 CG MET A 12 3.321 4.128 1.585 1.00 0.00 C ATOM 182 SD MET A 12 4.615 3.071 0.906 1.00 0.00 S ATOM 183 CE MET A 12 4.041 1.464 1.435 1.00 0.00 C ATOM 0 H MET A 12 3.249 6.406 3.241 1.00 0.00 H new ATOM 0 HA MET A 12 1.110 4.613 3.087 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.078 4.214 3.585 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.963 2.894 3.297 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.378 3.909 1.084 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.560 5.170 1.373 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.375 0.707 0.726 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.445 1.240 2.422 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.952 1.463 1.480 1.00 0.00 H new ATOM 193 N SER A 13 0.488 3.978 5.370 1.00 0.00 N ATOM 194 CA SER A 13 0.079 3.560 6.698 1.00 0.00 C ATOM 195 C SER A 13 0.375 2.074 6.905 1.00 0.00 C ATOM 196 O SER A 13 0.972 1.426 6.044 1.00 0.00 O ATOM 197 CB SER A 13 -1.412 3.853 6.905 1.00 0.00 C ATOM 198 OG SER A 13 -1.792 3.684 8.262 1.00 0.00 O ATOM 0 H SER A 13 -0.259 3.967 4.676 1.00 0.00 H new ATOM 0 HA SER A 13 0.648 4.124 7.437 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.631 4.873 6.589 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.005 3.190 6.275 1.00 0.00 H new ATOM 0 HG SER A 13 -2.747 3.880 8.361 1.00 0.00 H new ATOM 204 N SER A 14 -0.079 1.546 8.036 1.00 0.00 N ATOM 205 CA SER A 14 0.234 0.188 8.474 1.00 0.00 C ATOM 206 C SER A 14 -0.077 -0.861 7.407 1.00 0.00 C ATOM 207 O SER A 14 0.683 -1.809 7.228 1.00 0.00 O ATOM 208 CB SER A 14 -0.558 -0.111 9.745 1.00 0.00 C ATOM 209 OG SER A 14 -1.900 0.325 9.600 1.00 0.00 O ATOM 0 H SER A 14 -0.682 2.054 8.683 1.00 0.00 H new ATOM 0 HA SER A 14 1.306 0.134 8.664 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.536 -1.181 9.953 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.096 0.389 10.596 1.00 0.00 H new ATOM 0 HG SER A 14 -2.399 0.127 10.420 1.00 0.00 H new ATOM 215 N TYR A 15 -1.187 -0.679 6.704 1.00 0.00 N ATOM 216 CA TYR A 15 -1.635 -1.638 5.700 1.00 0.00 C ATOM 217 C TYR A 15 -0.577 -1.808 4.602 1.00 0.00 C ATOM 218 O TYR A 15 0.010 -2.886 4.445 1.00 0.00 O ATOM 219 CB TYR A 15 -2.970 -1.163 5.109 1.00 0.00 C ATOM 220 CG TYR A 15 -3.756 -2.225 4.367 1.00 0.00 C ATOM 221 CD1 TYR A 15 -3.419 -3.568 4.457 1.00 0.00 C ATOM 222 CD2 TYR A 15 -4.848 -1.879 3.583 1.00 0.00 C ATOM 223 CE1 TYR A 15 -4.142 -4.533 3.782 1.00 0.00 C ATOM 224 CE2 TYR A 15 -5.576 -2.840 2.905 1.00 0.00 C ATOM 225 CZ TYR A 15 -5.220 -4.164 3.009 1.00 0.00 C ATOM 226 OH TYR A 15 -5.938 -5.122 2.327 1.00 0.00 O ATOM 0 H TYR A 15 -1.799 0.130 6.811 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.780 -2.611 6.169 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.589 -0.772 5.917 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.774 -0.335 4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.577 -3.864 5.065 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.134 -0.841 3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.862 -5.573 3.861 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.420 -2.552 2.297 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.666 -4.693 1.831 1.00 0.00 H new ATOM 236 N ALA A 16 -0.307 -0.734 3.865 1.00 0.00 N ATOM 237 CA ALA A 16 0.669 -0.790 2.782 1.00 0.00 C ATOM 238 C ALA A 16 2.079 -0.990 3.325 1.00 0.00 C ATOM 239 O ALA A 16 2.935 -1.575 2.657 1.00 0.00 O ATOM 240 CB ALA A 16 0.605 0.466 1.922 1.00 0.00 C ATOM 0 H ALA A 16 -0.746 0.177 3.996 1.00 0.00 H new ATOM 0 HA ALA A 16 0.418 -1.647 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.343 0.398 1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.391 0.560 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.817 1.340 2.538 1.00 0.00 H new ATOM 246 N PHE A 17 2.317 -0.517 4.540 1.00 0.00 N ATOM 247 CA PHE A 17 3.635 -0.627 5.144 1.00 0.00 C ATOM 248 C PHE A 17 3.948 -2.067 5.510 1.00 0.00 C ATOM 249 O PHE A 17 5.085 -2.510 5.365 1.00 0.00 O ATOM 250 CB PHE A 17 3.753 0.259 6.378 1.00 0.00 C ATOM 251 CG PHE A 17 5.010 1.066 6.372 1.00 0.00 C ATOM 252 CD1 PHE A 17 5.078 2.230 5.631 1.00 0.00 C ATOM 253 CD2 PHE A 17 6.125 0.655 7.081 1.00 0.00 C ATOM 254 CE1 PHE A 17 6.232 2.977 5.596 1.00 0.00 C ATOM 255 CE2 PHE A 17 7.286 1.400 7.055 1.00 0.00 C ATOM 256 CZ PHE A 17 7.341 2.561 6.309 1.00 0.00 C ATOM 0 H PHE A 17 1.619 -0.056 5.123 1.00 0.00 H new ATOM 0 HA PHE A 17 4.360 -0.288 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.894 0.928 6.427 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.725 -0.362 7.274 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.214 2.557 5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.086 -0.256 7.659 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.272 3.886 5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.150 1.076 7.617 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.250 3.144 6.283 1.00 0.00 H new ATOM 266 N PHE A 18 2.936 -2.790 5.983 1.00 0.00 N ATOM 267 CA PHE A 18 3.074 -4.209 6.281 1.00 0.00 C ATOM 268 C PHE A 18 3.619 -4.953 5.069 1.00 0.00 C ATOM 269 O PHE A 18 4.552 -5.755 5.180 1.00 0.00 O ATOM 270 CB PHE A 18 1.720 -4.792 6.721 1.00 0.00 C ATOM 271 CG PHE A 18 1.430 -6.163 6.173 1.00 0.00 C ATOM 272 CD1 PHE A 18 2.012 -7.291 6.729 1.00 0.00 C ATOM 273 CD2 PHE A 18 0.573 -6.317 5.095 1.00 0.00 C ATOM 274 CE1 PHE A 18 1.748 -8.546 6.216 1.00 0.00 C ATOM 275 CE2 PHE A 18 0.306 -7.566 4.580 1.00 0.00 C ATOM 276 CZ PHE A 18 0.893 -8.682 5.140 1.00 0.00 C ATOM 0 H PHE A 18 2.007 -2.412 6.168 1.00 0.00 H new ATOM 0 HA PHE A 18 3.782 -4.332 7.101 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.693 -4.835 7.810 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.926 -4.113 6.409 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.679 -7.188 7.572 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.109 -5.447 4.654 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.209 -9.418 6.655 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.362 -7.672 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.684 -9.662 4.737 1.00 0.00 H new ATOM 286 N VAL A 19 3.043 -4.675 3.908 1.00 0.00 N ATOM 287 CA VAL A 19 3.514 -5.295 2.676 1.00 0.00 C ATOM 288 C VAL A 19 4.937 -4.867 2.391 1.00 0.00 C ATOM 289 O VAL A 19 5.817 -5.698 2.217 1.00 0.00 O ATOM 290 CB VAL A 19 2.669 -4.915 1.450 1.00 0.00 C ATOM 291 CG1 VAL A 19 2.458 -6.117 0.550 1.00 0.00 C ATOM 292 CG2 VAL A 19 1.355 -4.309 1.859 1.00 0.00 C ATOM 0 H VAL A 19 2.259 -4.033 3.792 1.00 0.00 H new ATOM 0 HA VAL A 19 3.438 -6.371 2.835 1.00 0.00 H new ATOM 0 HB VAL A 19 3.217 -4.161 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.857 -5.825 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.424 -6.491 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.941 -6.900 1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.781 -4.051 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.794 -5.027 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.537 -3.409 2.447 1.00 0.00 H new ATOM 302 N GLN A 20 5.147 -3.557 2.370 1.00 0.00 N ATOM 303 CA GLN A 20 6.423 -2.981 1.978 1.00 0.00 C ATOM 304 C GLN A 20 7.564 -3.466 2.864 1.00 0.00 C ATOM 305 O GLN A 20 8.619 -3.845 2.365 1.00 0.00 O ATOM 306 CB GLN A 20 6.352 -1.459 2.025 1.00 0.00 C ATOM 307 CG GLN A 20 7.647 -0.796 1.606 1.00 0.00 C ATOM 308 CD GLN A 20 7.951 -0.983 0.135 1.00 0.00 C ATOM 309 OE1 GLN A 20 8.550 -1.975 -0.271 1.00 0.00 O ATOM 310 NE2 GLN A 20 7.555 -0.017 -0.672 1.00 0.00 N ATOM 0 H GLN A 20 4.439 -2.868 2.624 1.00 0.00 H new ATOM 0 HA GLN A 20 6.626 -3.309 0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.547 -1.117 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.099 -1.143 3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.593 0.270 1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.467 -1.204 2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.060 0.791 -0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.744 -0.079 -1.672 1.00 0.00 H new ATOM 319 N THR A 21 7.352 -3.464 4.172 1.00 0.00 N ATOM 320 CA THR A 21 8.404 -3.839 5.103 1.00 0.00 C ATOM 321 C THR A 21 8.844 -5.287 4.886 1.00 0.00 C ATOM 322 O THR A 21 10.010 -5.614 5.074 1.00 0.00 O ATOM 323 CB THR A 21 7.980 -3.624 6.574 1.00 0.00 C ATOM 324 OG1 THR A 21 9.082 -3.880 7.454 1.00 0.00 O ATOM 325 CG2 THR A 21 6.816 -4.525 6.945 1.00 0.00 C ATOM 0 H THR A 21 6.467 -3.209 4.610 1.00 0.00 H new ATOM 0 HA THR A 21 9.251 -3.183 4.901 1.00 0.00 H new ATOM 0 HB THR A 21 7.665 -2.586 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.997 -3.322 8.255 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.539 -4.352 7.985 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.965 -4.303 6.301 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.107 -5.567 6.815 1.00 0.00 H new ATOM 333 N CYS A 22 7.916 -6.147 4.474 1.00 0.00 N ATOM 334 CA CYS A 22 8.248 -7.539 4.194 1.00 0.00 C ATOM 335 C CYS A 22 8.746 -7.689 2.755 1.00 0.00 C ATOM 336 O CYS A 22 9.677 -8.448 2.472 1.00 0.00 O ATOM 337 CB CYS A 22 7.022 -8.425 4.417 1.00 0.00 C ATOM 338 SG CYS A 22 6.216 -8.174 6.020 1.00 0.00 S ATOM 0 H CYS A 22 6.936 -5.906 4.328 1.00 0.00 H new ATOM 0 HA CYS A 22 9.041 -7.851 4.873 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.299 -8.234 3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.321 -9.470 4.331 1.00 0.00 H new ATOM 0 HG CYS A 22 5.397 -7.168 5.941 1.00 0.00 H new ATOM 344 N ARG A 23 8.124 -6.933 1.860 1.00 0.00 N ATOM 345 CA ARG A 23 8.420 -6.976 0.434 1.00 0.00 C ATOM 346 C ARG A 23 9.831 -6.464 0.162 1.00 0.00 C ATOM 347 O ARG A 23 10.620 -7.110 -0.532 1.00 0.00 O ATOM 348 CB ARG A 23 7.390 -6.121 -0.308 1.00 0.00 C ATOM 349 CG ARG A 23 7.136 -6.548 -1.737 1.00 0.00 C ATOM 350 CD ARG A 23 5.836 -5.950 -2.255 1.00 0.00 C ATOM 351 NE ARG A 23 5.390 -6.599 -3.488 1.00 0.00 N ATOM 352 CZ ARG A 23 4.116 -6.672 -3.879 1.00 0.00 C ATOM 353 NH1 ARG A 23 3.156 -6.139 -3.131 1.00 0.00 N1+ ATOM 354 NH2 ARG A 23 3.803 -7.279 -5.018 1.00 0.00 N ATOM 0 H ARG A 23 7.393 -6.266 2.106 1.00 0.00 H new ATOM 0 HA ARG A 23 8.366 -8.006 0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.448 -6.151 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.727 -5.084 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.965 -6.231 -2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.090 -7.636 -1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.063 -6.048 -1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.973 -4.884 -2.435 1.00 0.00 H new ATOM 0 HE ARG A 23 6.098 -7.023 -4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.392 -5.672 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.183 -6.196 -3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.537 -7.690 -5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.829 -7.334 -5.316 1.00 0.00 H new ATOM 368 N GLU A 24 10.141 -5.306 0.729 1.00 0.00 N ATOM 369 CA GLU A 24 11.450 -4.699 0.577 1.00 0.00 C ATOM 370 C GLU A 24 12.492 -5.458 1.398 1.00 0.00 C ATOM 371 O GLU A 24 13.648 -5.543 1.000 1.00 0.00 O ATOM 372 CB GLU A 24 11.403 -3.220 0.980 1.00 0.00 C ATOM 373 CG GLU A 24 12.776 -2.577 1.107 1.00 0.00 C ATOM 374 CD GLU A 24 12.730 -1.175 1.674 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.603 -1.034 2.908 1.00 0.00 O ATOM 376 OE2 GLU A 24 12.851 -0.211 0.896 1.00 0.00 O1- ATOM 0 H GLU A 24 9.494 -4.766 1.304 1.00 0.00 H new ATOM 0 HA GLU A 24 11.741 -4.756 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.821 -2.670 0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.879 -3.128 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.403 -3.199 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.249 -2.549 0.125 1.00 0.00 H new ATOM 383 N GLU A 25 12.078 -6.027 2.531 1.00 0.00 N ATOM 384 CA GLU A 25 12.974 -6.859 3.336 1.00 0.00 C ATOM 385 C GLU A 25 13.504 -8.013 2.491 1.00 0.00 C ATOM 386 O GLU A 25 14.709 -8.262 2.431 1.00 0.00 O ATOM 387 CB GLU A 25 12.237 -7.414 4.558 1.00 0.00 C ATOM 388 CG GLU A 25 13.125 -8.151 5.543 1.00 0.00 C ATOM 389 CD GLU A 25 14.089 -7.229 6.260 1.00 0.00 C ATOM 390 OE1 GLU A 25 13.671 -6.568 7.236 1.00 0.00 O ATOM 391 OE2 GLU A 25 15.271 -7.166 5.862 1.00 0.00 O1- ATOM 0 H GLU A 25 11.136 -5.929 2.910 1.00 0.00 H new ATOM 0 HA GLU A 25 13.807 -6.244 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.746 -6.590 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.453 -8.090 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.502 -8.661 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 25 13.688 -8.920 5.014 1.00 0.00 H new ATOM 398 N HIS A 26 12.587 -8.698 1.820 1.00 0.00 N ATOM 399 CA HIS A 26 12.944 -9.798 0.934 1.00 0.00 C ATOM 400 C HIS A 26 13.734 -9.276 -0.266 1.00 0.00 C ATOM 401 O HIS A 26 14.573 -9.982 -0.817 1.00 0.00 O ATOM 402 CB HIS A 26 11.681 -10.538 0.472 1.00 0.00 C ATOM 403 CG HIS A 26 11.949 -11.709 -0.430 1.00 0.00 C ATOM 404 ND1 HIS A 26 11.270 -11.920 -1.612 1.00 0.00 N ATOM 405 CD2 HIS A 26 12.820 -12.739 -0.314 1.00 0.00 C ATOM 406 CE1 HIS A 26 11.714 -13.026 -2.180 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.653 -13.539 -1.414 1.00 0.00 N ATOM 0 H HIS A 26 11.586 -8.510 1.873 1.00 0.00 H new ATOM 0 HA HIS A 26 13.574 -10.500 1.480 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.136 -10.887 1.349 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.031 -9.834 -0.048 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.517 -12.900 0.495 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.366 -13.440 -3.115 1.00 0.00 H new ATOM 0 HE2 HIS A 26 13.173 -14.395 -1.608 1.00 0.00 H new ATOM 416 N LYS A 27 13.468 -8.034 -0.652 1.00 0.00 N ATOM 417 CA LYS A 27 14.175 -7.404 -1.763 1.00 0.00 C ATOM 418 C LYS A 27 15.618 -7.085 -1.380 1.00 0.00 C ATOM 419 O LYS A 27 16.529 -7.222 -2.197 1.00 0.00 O ATOM 420 CB LYS A 27 13.456 -6.120 -2.193 1.00 0.00 C ATOM 421 CG LYS A 27 14.106 -5.399 -3.370 1.00 0.00 C ATOM 422 CD LYS A 27 13.602 -5.907 -4.718 1.00 0.00 C ATOM 423 CE LYS A 27 13.984 -7.355 -4.985 1.00 0.00 C ATOM 424 NZ LYS A 27 15.457 -7.558 -4.995 1.00 0.00 N1+ ATOM 0 H LYS A 27 12.765 -7.440 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 27 14.184 -8.105 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.427 -6.365 -2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.415 -5.439 -1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.908 -4.330 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.187 -5.527 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.517 -5.810 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.005 -5.278 -5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.537 -7.993 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.570 -7.667 -5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.676 -8.494 -5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.905 -6.821 -5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.822 -7.501 -4.023 1.00 0.00 H new ATOM 438 N LYS A 28 15.811 -6.651 -0.140 1.00 0.00 N ATOM 439 CA LYS A 28 17.135 -6.320 0.365 1.00 0.00 C ATOM 440 C LYS A 28 17.974 -7.576 0.567 1.00 0.00 C ATOM 441 O LYS A 28 19.107 -7.661 0.088 1.00 0.00 O ATOM 442 CB LYS A 28 17.037 -5.557 1.683 1.00 0.00 C ATOM 443 CG LYS A 28 16.350 -4.208 1.561 1.00 0.00 C ATOM 444 CD LYS A 28 17.039 -3.297 0.555 1.00 0.00 C ATOM 445 CE LYS A 28 16.378 -1.925 0.501 1.00 0.00 C ATOM 446 NZ LYS A 28 16.494 -1.201 1.795 1.00 0.00 N1+ ATOM 0 H LYS A 28 15.060 -6.520 0.538 1.00 0.00 H new ATOM 0 HA LYS A 28 17.620 -5.688 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.494 -6.167 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.041 -5.408 2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.313 -4.357 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.334 -3.722 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.090 -3.186 0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.009 -3.756 -0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.838 -1.332 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.325 -2.039 0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.267 -0.196 1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.830 -1.611 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.465 -1.289 2.156 1.00 0.00 H new ATOM 460 N LYS A 29 17.410 -8.550 1.277 1.00 0.00 N ATOM 461 CA LYS A 29 18.122 -9.785 1.586 1.00 0.00 C ATOM 462 C LYS A 29 18.299 -10.648 0.342 1.00 0.00 C ATOM 463 O LYS A 29 19.244 -11.426 0.247 1.00 0.00 O ATOM 464 CB LYS A 29 17.391 -10.576 2.676 1.00 0.00 C ATOM 465 CG LYS A 29 17.280 -9.830 3.997 1.00 0.00 C ATOM 466 CD LYS A 29 16.711 -10.706 5.104 1.00 0.00 C ATOM 467 CE LYS A 29 15.307 -11.197 4.778 1.00 0.00 C ATOM 468 NZ LYS A 29 14.716 -11.976 5.899 1.00 0.00 N1+ ATOM 0 H LYS A 29 16.461 -8.507 1.649 1.00 0.00 H new ATOM 0 HA LYS A 29 19.110 -9.511 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.390 -10.825 2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.914 -11.518 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.265 -9.468 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.645 -8.954 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.367 -11.562 5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.691 -10.143 6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.667 -10.344 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.338 -11.817 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.760 -12.292 5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.312 -12.805 6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.662 -11.377 6.747 1.00 0.00 H new ATOM 482 N HIS A 30 17.392 -10.508 -0.611 1.00 0.00 N ATOM 483 CA HIS A 30 17.486 -11.243 -1.863 1.00 0.00 C ATOM 484 C HIS A 30 17.313 -10.317 -3.055 1.00 0.00 C ATOM 485 O HIS A 30 16.195 -10.071 -3.512 1.00 0.00 O ATOM 486 CB HIS A 30 16.453 -12.370 -1.934 1.00 0.00 C ATOM 487 CG HIS A 30 16.920 -13.662 -1.345 1.00 0.00 C ATOM 488 ND1 HIS A 30 17.740 -14.540 -2.019 1.00 0.00 N ATOM 489 CD2 HIS A 30 16.673 -14.228 -0.141 1.00 0.00 C ATOM 490 CE1 HIS A 30 17.977 -15.591 -1.257 1.00 0.00 C ATOM 491 NE2 HIS A 30 17.342 -15.425 -0.113 1.00 0.00 N ATOM 0 H HIS A 30 16.582 -9.892 -0.542 1.00 0.00 H new ATOM 0 HA HIS A 30 18.482 -11.684 -1.898 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.548 -12.053 -1.416 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.182 -12.535 -2.977 1.00 0.00 H new ATOM 0 HD1 HIS A 30 18.107 -14.400 -2.960 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.064 -13.815 0.649 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.587 -16.441 -1.524 1.00 0.00 H new ATOM 500 N PRO A 31 18.422 -9.769 -3.565 1.00 0.00 N ATOM 501 CA PRO A 31 18.413 -8.958 -4.781 1.00 0.00 C ATOM 502 C PRO A 31 18.072 -9.815 -5.993 1.00 0.00 C ATOM 503 O PRO A 31 17.503 -9.341 -6.971 1.00 0.00 O ATOM 504 CB PRO A 31 19.848 -8.422 -4.877 1.00 0.00 C ATOM 505 CG PRO A 31 20.448 -8.659 -3.532 1.00 0.00 C ATOM 506 CD PRO A 31 19.770 -9.883 -2.997 1.00 0.00 C ATOM 0 HA PRO A 31 17.669 -8.161 -4.754 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.410 -8.939 -5.655 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.856 -7.362 -5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.525 -8.808 -3.604 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.288 -7.804 -2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.270 -10.797 -3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 31 19.752 -9.894 -1.907 1.00 0.00 H new ATOM 514 N ASP A 32 18.392 -11.095 -5.878 1.00 0.00 N ATOM 515 CA ASP A 32 18.152 -12.074 -6.929 1.00 0.00 C ATOM 516 C ASP A 32 16.666 -12.411 -7.050 1.00 0.00 C ATOM 517 O ASP A 32 16.214 -12.923 -8.078 1.00 0.00 O ATOM 518 CB ASP A 32 18.933 -13.354 -6.615 1.00 0.00 C ATOM 519 CG ASP A 32 18.537 -13.958 -5.276 1.00 0.00 C ATOM 520 OD1 ASP A 32 18.919 -13.396 -4.224 1.00 0.00 O1- ATOM 521 OD2 ASP A 32 17.839 -14.990 -5.260 1.00 0.00 O ATOM 0 H ASP A 32 18.830 -11.488 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 32 18.484 -11.646 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.762 -14.085 -7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 32 20.001 -13.134 -6.610 1.00 0.00 H new ATOM 526 N ALA A 33 15.908 -12.121 -6.004 1.00 0.00 N ATOM 527 CA ALA A 33 14.508 -12.512 -5.949 1.00 0.00 C ATOM 528 C ALA A 33 13.586 -11.340 -6.237 1.00 0.00 C ATOM 529 O ALA A 33 13.568 -10.351 -5.503 1.00 0.00 O ATOM 530 CB ALA A 33 14.183 -13.106 -4.590 1.00 0.00 C ATOM 0 H ALA A 33 16.239 -11.616 -5.182 1.00 0.00 H new ATOM 0 HA ALA A 33 14.344 -13.263 -6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.132 -13.395 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.806 -13.984 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.377 -12.366 -3.814 1.00 0.00 H new ATOM 536 N SER A 34 12.827 -11.462 -7.311 1.00 0.00 N ATOM 537 CA SER A 34 11.807 -10.486 -7.646 1.00 0.00 C ATOM 538 C SER A 34 10.453 -10.991 -7.158 1.00 0.00 C ATOM 539 O SER A 34 10.290 -12.185 -6.896 1.00 0.00 O ATOM 540 CB SER A 34 11.776 -10.261 -9.159 1.00 0.00 C ATOM 541 OG SER A 34 13.079 -9.996 -9.661 1.00 0.00 O ATOM 0 H SER A 34 12.900 -12.236 -7.972 1.00 0.00 H new ATOM 0 HA SER A 34 12.034 -9.537 -7.161 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.364 -11.141 -9.653 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.116 -9.426 -9.393 1.00 0.00 H new ATOM 0 HG SER A 34 13.526 -9.344 -9.082 1.00 0.00 H new ATOM 547 N VAL A 35 9.489 -10.094 -7.016 1.00 0.00 N ATOM 548 CA VAL A 35 8.155 -10.491 -6.595 1.00 0.00 C ATOM 549 C VAL A 35 7.134 -10.041 -7.623 1.00 0.00 C ATOM 550 O VAL A 35 7.290 -8.992 -8.244 1.00 0.00 O ATOM 551 CB VAL A 35 7.761 -9.905 -5.215 1.00 0.00 C ATOM 552 CG1 VAL A 35 8.846 -10.147 -4.179 1.00 0.00 C ATOM 553 CG2 VAL A 35 7.437 -8.423 -5.320 1.00 0.00 C ATOM 0 H VAL A 35 9.604 -9.095 -7.185 1.00 0.00 H new ATOM 0 HA VAL A 35 8.166 -11.577 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 35 6.862 -10.426 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.537 -9.723 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.008 -11.219 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.772 -9.672 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.164 -8.040 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.310 -7.885 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.604 -8.281 -6.009 1.00 0.00 H new ATOM 563 N ASN A 36 6.093 -10.831 -7.808 1.00 0.00 N ATOM 564 CA ASN A 36 5.017 -10.440 -8.698 1.00 0.00 C ATOM 565 C ASN A 36 4.078 -9.482 -7.980 1.00 0.00 C ATOM 566 O ASN A 36 3.737 -9.689 -6.811 1.00 0.00 O ATOM 567 CB ASN A 36 4.260 -11.660 -9.217 1.00 0.00 C ATOM 568 CG ASN A 36 5.095 -12.518 -10.152 1.00 0.00 C ATOM 569 OD1 ASN A 36 4.921 -13.734 -10.212 1.00 0.00 O ATOM 570 ND2 ASN A 36 6.004 -11.894 -10.890 1.00 0.00 N ATOM 0 H ASN A 36 5.970 -11.738 -7.359 1.00 0.00 H new ATOM 0 HA ASN A 36 5.446 -9.932 -9.561 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.932 -12.265 -8.372 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.362 -11.330 -9.739 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.589 -12.425 -11.536 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.118 -10.883 -10.812 1.00 0.00 H new ATOM 577 N PHE A 37 3.680 -8.427 -8.678 1.00 0.00 N ATOM 578 CA PHE A 37 2.896 -7.349 -8.087 1.00 0.00 C ATOM 579 C PHE A 37 1.583 -7.847 -7.501 1.00 0.00 C ATOM 580 O PHE A 37 1.325 -7.656 -6.313 1.00 0.00 O ATOM 581 CB PHE A 37 2.637 -6.244 -9.115 1.00 0.00 C ATOM 582 CG PHE A 37 3.743 -5.230 -9.196 1.00 0.00 C ATOM 583 CD1 PHE A 37 5.021 -5.540 -8.760 1.00 0.00 C ATOM 584 CD2 PHE A 37 3.497 -3.958 -9.689 1.00 0.00 C ATOM 585 CE1 PHE A 37 6.034 -4.605 -8.819 1.00 0.00 C ATOM 586 CE2 PHE A 37 4.507 -3.016 -9.747 1.00 0.00 C ATOM 587 CZ PHE A 37 5.777 -3.341 -9.310 1.00 0.00 C ATOM 0 H PHE A 37 3.890 -8.294 -9.667 1.00 0.00 H new ATOM 0 HA PHE A 37 3.483 -6.939 -7.265 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.498 -6.697 -10.096 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.706 -5.736 -8.864 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.227 -6.526 -8.369 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.506 -3.700 -10.031 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.027 -4.862 -8.481 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.304 -2.028 -10.133 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.568 -2.607 -9.353 1.00 0.00 H new ATOM 597 N SER A 38 0.775 -8.503 -8.311 1.00 0.00 N ATOM 598 CA SER A 38 -0.538 -8.943 -7.872 1.00 0.00 C ATOM 599 C SER A 38 -0.430 -10.131 -6.921 1.00 0.00 C ATOM 600 O SER A 38 -1.053 -10.140 -5.863 1.00 0.00 O ATOM 601 CB SER A 38 -1.401 -9.306 -9.081 1.00 0.00 C ATOM 602 OG SER A 38 -1.477 -8.219 -9.990 1.00 0.00 O ATOM 0 H SER A 38 1.003 -8.744 -9.276 1.00 0.00 H new ATOM 0 HA SER A 38 -1.010 -8.122 -7.332 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.982 -10.178 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.403 -9.580 -8.750 1.00 0.00 H new ATOM 0 HG SER A 38 -2.032 -8.472 -10.757 1.00 0.00 H new ATOM 608 N GLU A 39 0.393 -11.106 -7.293 1.00 0.00 N ATOM 609 CA GLU A 39 0.514 -12.362 -6.547 1.00 0.00 C ATOM 610 C GLU A 39 0.842 -12.125 -5.075 1.00 0.00 C ATOM 611 O GLU A 39 0.112 -12.567 -4.178 1.00 0.00 O ATOM 612 CB GLU A 39 1.600 -13.238 -7.170 1.00 0.00 C ATOM 613 CG GLU A 39 1.432 -13.444 -8.664 1.00 0.00 C ATOM 614 CD GLU A 39 0.048 -13.940 -9.035 1.00 0.00 C ATOM 615 OE1 GLU A 39 -0.383 -14.986 -8.505 1.00 0.00 O1- ATOM 616 OE2 GLU A 39 -0.628 -13.275 -9.845 1.00 0.00 O ATOM 0 H GLU A 39 0.994 -11.052 -8.115 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.452 -12.865 -6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.573 -12.785 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.600 -14.209 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.627 -12.504 -9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.176 -14.160 -9.014 1.00 0.00 H new ATOM 623 N PHE A 40 1.938 -11.421 -4.836 1.00 0.00 N ATOM 624 CA PHE A 40 2.402 -11.161 -3.483 1.00 0.00 C ATOM 625 C PHE A 40 1.349 -10.389 -2.695 1.00 0.00 C ATOM 626 O PHE A 40 1.100 -10.683 -1.528 1.00 0.00 O ATOM 627 CB PHE A 40 3.726 -10.389 -3.523 1.00 0.00 C ATOM 628 CG PHE A 40 4.352 -10.152 -2.175 1.00 0.00 C ATOM 629 CD1 PHE A 40 5.076 -11.152 -1.545 1.00 0.00 C ATOM 630 CD2 PHE A 40 4.225 -8.926 -1.541 1.00 0.00 C ATOM 631 CE1 PHE A 40 5.659 -10.931 -0.310 1.00 0.00 C ATOM 632 CE2 PHE A 40 4.806 -8.700 -0.310 1.00 0.00 C ATOM 633 CZ PHE A 40 5.523 -9.702 0.308 1.00 0.00 C ATOM 0 H PHE A 40 2.525 -11.018 -5.566 1.00 0.00 H new ATOM 0 HA PHE A 40 2.569 -12.113 -2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.433 -10.937 -4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.556 -9.426 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.186 -12.114 -2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.663 -8.136 -2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.220 -11.718 0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.699 -7.738 0.169 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.977 -9.527 1.272 1.00 0.00 H new ATOM 643 N SER A 41 0.705 -9.431 -3.349 1.00 0.00 N ATOM 644 CA SER A 41 -0.271 -8.581 -2.681 1.00 0.00 C ATOM 645 C SER A 41 -1.562 -9.351 -2.373 1.00 0.00 C ATOM 646 O SER A 41 -2.276 -9.008 -1.430 1.00 0.00 O ATOM 647 CB SER A 41 -0.564 -7.348 -3.538 1.00 0.00 C ATOM 648 OG SER A 41 0.640 -6.758 -3.999 1.00 0.00 O ATOM 0 H SER A 41 0.840 -9.224 -4.338 1.00 0.00 H new ATOM 0 HA SER A 41 0.151 -8.256 -1.730 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.185 -7.630 -4.388 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.131 -6.621 -2.956 1.00 0.00 H new ATOM 0 HG SER A 41 0.729 -6.906 -4.964 1.00 0.00 H new ATOM 654 N LYS A 42 -1.850 -10.392 -3.164 1.00 0.00 N ATOM 655 CA LYS A 42 -3.016 -11.251 -2.923 1.00 0.00 C ATOM 656 C LYS A 42 -2.961 -11.835 -1.519 1.00 0.00 C ATOM 657 O LYS A 42 -3.757 -11.488 -0.641 1.00 0.00 O ATOM 658 CB LYS A 42 -3.058 -12.432 -3.902 1.00 0.00 C ATOM 659 CG LYS A 42 -3.305 -12.087 -5.357 1.00 0.00 C ATOM 660 CD LYS A 42 -3.163 -13.339 -6.209 1.00 0.00 C ATOM 661 CE LYS A 42 -3.344 -13.061 -7.689 1.00 0.00 C ATOM 662 NZ LYS A 42 -3.084 -14.277 -8.506 1.00 0.00 N1+ ATOM 0 H LYS A 42 -1.293 -10.660 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.899 -10.626 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.111 -12.968 -3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.838 -13.120 -3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.303 -11.665 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.596 -11.328 -5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.179 -13.777 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.899 -14.077 -5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.359 -12.708 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.668 -12.263 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.116 -14.030 -9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.145 -14.658 -8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.809 -14.994 -8.302 1.00 0.00 H new ATOM 676 N LYS A 43 -1.989 -12.714 -1.321 1.00 0.00 N ATOM 677 CA LYS A 43 -1.880 -13.479 -0.088 1.00 0.00 C ATOM 678 C LYS A 43 -1.487 -12.604 1.096 1.00 0.00 C ATOM 679 O LYS A 43 -1.791 -12.929 2.242 1.00 0.00 O ATOM 680 CB LYS A 43 -0.890 -14.629 -0.264 1.00 0.00 C ATOM 681 CG LYS A 43 0.435 -14.230 -0.889 1.00 0.00 C ATOM 682 CD LYS A 43 1.268 -15.458 -1.209 1.00 0.00 C ATOM 683 CE LYS A 43 2.578 -15.092 -1.879 1.00 0.00 C ATOM 684 NZ LYS A 43 3.379 -16.298 -2.211 1.00 0.00 N1+ ATOM 0 H LYS A 43 -1.259 -12.916 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.865 -13.890 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.697 -15.078 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.352 -15.398 -0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.256 -13.658 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.983 -13.580 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.471 -16.009 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.700 -16.123 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.376 -14.527 -2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.154 -14.442 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.268 -16.010 -2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.592 -16.824 -1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.838 -16.906 -2.859 1.00 0.00 H new ATOM 698 N CYS A 44 -0.815 -11.497 0.826 1.00 0.00 N ATOM 699 CA CYS A 44 -0.457 -10.567 1.886 1.00 0.00 C ATOM 700 C CYS A 44 -1.682 -9.814 2.388 1.00 0.00 C ATOM 701 O CYS A 44 -1.789 -9.525 3.577 1.00 0.00 O ATOM 702 CB CYS A 44 0.618 -9.589 1.424 1.00 0.00 C ATOM 703 SG CYS A 44 2.214 -10.370 1.111 1.00 0.00 S ATOM 0 H CYS A 44 -0.509 -11.222 -0.107 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.051 -11.151 2.712 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.280 -9.093 0.514 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.743 -8.815 2.181 1.00 0.00 H new ATOM 0 HG CYS A 44 2.975 -9.551 0.448 1.00 0.00 H new ATOM 709 N SER A 45 -2.617 -9.512 1.492 1.00 0.00 N ATOM 710 CA SER A 45 -3.849 -8.857 1.901 1.00 0.00 C ATOM 711 C SER A 45 -4.599 -9.759 2.869 1.00 0.00 C ATOM 712 O SER A 45 -4.930 -9.351 3.979 1.00 0.00 O ATOM 713 CB SER A 45 -4.729 -8.523 0.692 1.00 0.00 C ATOM 714 OG SER A 45 -5.830 -7.710 1.068 1.00 0.00 O ATOM 0 H SER A 45 -2.545 -9.708 0.494 1.00 0.00 H new ATOM 0 HA SER A 45 -3.599 -7.918 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.134 -8.008 -0.063 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.092 -9.445 0.238 1.00 0.00 H new ATOM 0 HG SER A 45 -5.501 -6.870 1.450 1.00 0.00 H new ATOM 720 N GLU A 46 -4.821 -11.000 2.452 1.00 0.00 N ATOM 721 CA GLU A 46 -5.489 -11.988 3.291 1.00 0.00 C ATOM 722 C GLU A 46 -4.724 -12.195 4.593 1.00 0.00 C ATOM 723 O GLU A 46 -5.319 -12.372 5.657 1.00 0.00 O ATOM 724 CB GLU A 46 -5.607 -13.311 2.546 1.00 0.00 C ATOM 725 CG GLU A 46 -6.381 -13.206 1.246 1.00 0.00 C ATOM 726 CD GLU A 46 -6.545 -14.545 0.563 1.00 0.00 C ATOM 727 OE1 GLU A 46 -6.825 -15.542 1.262 1.00 0.00 O ATOM 728 OE2 GLU A 46 -6.420 -14.604 -0.677 1.00 0.00 O1- ATOM 0 H GLU A 46 -4.547 -11.347 1.533 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.486 -11.618 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.607 -13.690 2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.095 -14.041 3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.364 -12.780 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.866 -12.519 0.574 1.00 0.00 H new ATOM 735 N ARG A 47 -3.402 -12.169 4.494 1.00 0.00 N ATOM 736 CA ARG A 47 -2.538 -12.278 5.658 1.00 0.00 C ATOM 737 C ARG A 47 -2.851 -11.161 6.643 1.00 0.00 C ATOM 738 O ARG A 47 -3.104 -11.419 7.809 1.00 0.00 O ATOM 739 CB ARG A 47 -1.071 -12.210 5.229 1.00 0.00 C ATOM 740 CG ARG A 47 -0.075 -12.442 6.353 1.00 0.00 C ATOM 741 CD ARG A 47 1.350 -12.305 5.844 1.00 0.00 C ATOM 742 NE ARG A 47 2.342 -12.709 6.836 1.00 0.00 N ATOM 743 CZ ARG A 47 3.624 -12.922 6.549 1.00 0.00 C ATOM 744 NH1 ARG A 47 4.071 -12.739 5.312 1.00 0.00 N1+ ATOM 745 NH2 ARG A 47 4.463 -13.317 7.496 1.00 0.00 N ATOM 0 H ARG A 47 -2.902 -12.072 3.610 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.716 -13.237 6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.899 -12.952 4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.880 -11.232 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.251 -11.725 7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.221 -13.436 6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.471 -12.912 4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.531 -11.270 5.556 1.00 0.00 H new ATOM 0 HE ARG A 47 2.036 -12.835 7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.431 -12.434 4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.054 -12.903 5.095 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.127 -13.459 8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.445 -13.479 7.272 1.00 0.00 H new ATOM 759 N TRP A 48 -2.861 -9.924 6.151 1.00 0.00 N ATOM 760 CA TRP A 48 -3.189 -8.760 6.972 1.00 0.00 C ATOM 761 C TRP A 48 -4.559 -8.920 7.626 1.00 0.00 C ATOM 762 O TRP A 48 -4.728 -8.629 8.810 1.00 0.00 O ATOM 763 CB TRP A 48 -3.157 -7.486 6.115 1.00 0.00 C ATOM 764 CG TRP A 48 -3.694 -6.265 6.807 1.00 0.00 C ATOM 765 CD1 TRP A 48 -4.954 -5.748 6.685 1.00 0.00 C ATOM 766 CD2 TRP A 48 -2.993 -5.403 7.714 1.00 0.00 C ATOM 767 NE1 TRP A 48 -5.076 -4.617 7.456 1.00 0.00 N ATOM 768 CE2 TRP A 48 -3.887 -4.385 8.099 1.00 0.00 C ATOM 769 CE3 TRP A 48 -1.696 -5.390 8.235 1.00 0.00 C ATOM 770 CZ2 TRP A 48 -3.525 -3.371 8.985 1.00 0.00 C ATOM 771 CZ3 TRP A 48 -1.338 -4.384 9.113 1.00 0.00 C ATOM 772 CH2 TRP A 48 -2.249 -3.385 9.479 1.00 0.00 C ATOM 0 H TRP A 48 -2.644 -9.701 5.180 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.443 -8.678 7.763 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.129 -7.294 5.808 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.734 -7.658 5.206 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.738 -6.167 6.072 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.915 -4.043 7.537 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.985 -6.154 7.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.227 -2.602 9.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.339 -4.368 9.524 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.938 -2.611 10.165 1.00 0.00 H new ATOM 783 N LYS A 49 -5.525 -9.409 6.857 1.00 0.00 N ATOM 784 CA LYS A 49 -6.896 -9.562 7.343 1.00 0.00 C ATOM 785 C LYS A 49 -6.974 -10.612 8.456 1.00 0.00 C ATOM 786 O LYS A 49 -7.930 -10.638 9.234 1.00 0.00 O ATOM 787 CB LYS A 49 -7.834 -9.966 6.196 1.00 0.00 C ATOM 788 CG LYS A 49 -7.639 -9.171 4.909 1.00 0.00 C ATOM 789 CD LYS A 49 -8.647 -9.574 3.841 1.00 0.00 C ATOM 790 CE LYS A 49 -8.424 -8.803 2.549 1.00 0.00 C ATOM 791 NZ LYS A 49 -9.341 -9.241 1.463 1.00 0.00 N1+ ATOM 0 H LYS A 49 -5.386 -9.708 5.892 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.211 -8.599 7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.688 -11.024 5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.865 -9.848 6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.738 -8.106 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.628 -9.328 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.566 -10.644 3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.658 -9.392 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.567 -7.739 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.392 -8.934 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.151 -8.687 0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.188 -10.250 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.327 -9.092 1.760 1.00 0.00 H new ATOM 805 N THR A 50 -5.959 -11.468 8.533 1.00 0.00 N ATOM 806 CA THR A 50 -5.958 -12.581 9.476 1.00 0.00 C ATOM 807 C THR A 50 -4.696 -12.586 10.343 1.00 0.00 C ATOM 808 O THR A 50 -4.361 -13.596 10.967 1.00 0.00 O ATOM 809 CB THR A 50 -6.054 -13.920 8.722 1.00 0.00 C ATOM 810 OG1 THR A 50 -4.995 -14.024 7.756 1.00 0.00 O ATOM 811 CG2 THR A 50 -7.392 -14.050 8.013 1.00 0.00 C ATOM 0 H THR A 50 -5.123 -11.411 7.951 1.00 0.00 H new ATOM 0 HA THR A 50 -6.825 -12.456 10.125 1.00 0.00 H new ATOM 0 HB THR A 50 -5.962 -14.723 9.454 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.212 -13.476 6.973 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.434 -15.004 7.488 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.198 -14.003 8.745 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.505 -13.236 7.296 1.00 0.00 H new ATOM 819 N MET A 51 -4.013 -11.451 10.405 1.00 0.00 N ATOM 820 CA MET A 51 -2.712 -11.385 11.065 1.00 0.00 C ATOM 821 C MET A 51 -2.845 -10.965 12.525 1.00 0.00 C ATOM 822 O MET A 51 -3.784 -10.258 12.900 1.00 0.00 O ATOM 823 CB MET A 51 -1.787 -10.424 10.315 1.00 0.00 C ATOM 824 CG MET A 51 -0.339 -10.477 10.775 1.00 0.00 C ATOM 825 SD MET A 51 0.754 -9.482 9.744 1.00 0.00 S ATOM 826 CE MET A 51 -0.046 -7.886 9.857 1.00 0.00 C ATOM 0 H MET A 51 -4.334 -10.567 10.010 1.00 0.00 H new ATOM 0 HA MET A 51 -2.277 -12.384 11.047 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.828 -10.653 9.250 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.160 -9.407 10.437 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.276 -10.129 11.806 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.003 -11.512 10.767 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.522 -7.153 9.284 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.057 -7.956 9.455 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.091 -7.575 10.901 1.00 0.00 H new ATOM 836 N SER A 52 -1.899 -11.417 13.339 1.00 0.00 N ATOM 837 CA SER A 52 -1.878 -11.127 14.764 1.00 0.00 C ATOM 838 C SER A 52 -1.749 -9.625 15.036 1.00 0.00 C ATOM 839 O SER A 52 -1.144 -8.884 14.255 1.00 0.00 O ATOM 840 CB SER A 52 -0.717 -11.880 15.409 1.00 0.00 C ATOM 841 OG SER A 52 -0.737 -13.250 15.036 1.00 0.00 O ATOM 0 H SER A 52 -1.121 -11.998 13.026 1.00 0.00 H new ATOM 0 HA SER A 52 -2.823 -11.455 15.196 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.228 -11.429 15.106 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.778 -11.793 16.494 1.00 0.00 H new ATOM 0 HG SER A 52 0.015 -13.715 15.458 1.00 0.00 H new ATOM 847 N ALA A 53 -2.320 -9.193 16.155 1.00 0.00 N ATOM 848 CA ALA A 53 -2.312 -7.789 16.546 1.00 0.00 C ATOM 849 C ALA A 53 -0.901 -7.294 16.844 1.00 0.00 C ATOM 850 O ALA A 53 -0.589 -6.125 16.611 1.00 0.00 O ATOM 851 CB ALA A 53 -3.209 -7.573 17.752 1.00 0.00 C ATOM 0 H ALA A 53 -2.800 -9.805 16.815 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.696 -7.211 15.705 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.193 -6.520 18.033 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.229 -7.867 17.504 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.850 -8.176 18.586 1.00 0.00 H new ATOM 857 N LYS A 54 -0.055 -8.179 17.371 1.00 0.00 N ATOM 858 CA LYS A 54 1.346 -7.839 17.617 1.00 0.00 C ATOM 859 C LYS A 54 2.015 -7.366 16.337 1.00 0.00 C ATOM 860 O LYS A 54 2.642 -6.305 16.309 1.00 0.00 O ATOM 861 CB LYS A 54 2.120 -9.031 18.184 1.00 0.00 C ATOM 862 CG LYS A 54 2.216 -9.044 19.701 1.00 0.00 C ATOM 863 CD LYS A 54 0.873 -9.315 20.359 1.00 0.00 C ATOM 864 CE LYS A 54 0.999 -9.340 21.872 1.00 0.00 C ATOM 865 NZ LYS A 54 -0.281 -9.696 22.539 1.00 0.00 N1+ ATOM 0 H LYS A 54 -0.313 -9.130 17.634 1.00 0.00 H new ATOM 0 HA LYS A 54 1.360 -7.034 18.352 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.641 -9.952 17.853 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.127 -9.028 17.767 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.931 -9.806 20.012 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.601 -8.085 20.047 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.158 -8.547 20.063 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.479 -10.269 20.008 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.767 -10.058 22.159 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.329 -8.362 22.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.146 -9.700 23.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.009 -8.997 22.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.585 -10.640 22.226 1.00 0.00 H new ATOM 879 N GLU A 55 1.864 -8.154 15.280 1.00 0.00 N ATOM 880 CA GLU A 55 2.433 -7.816 13.984 1.00 0.00 C ATOM 881 C GLU A 55 1.877 -6.484 13.492 1.00 0.00 C ATOM 882 O GLU A 55 2.628 -5.599 13.081 1.00 0.00 O ATOM 883 CB GLU A 55 2.119 -8.908 12.964 1.00 0.00 C ATOM 884 CG GLU A 55 2.530 -10.306 13.400 1.00 0.00 C ATOM 885 CD GLU A 55 4.016 -10.425 13.665 1.00 0.00 C ATOM 886 OE1 GLU A 55 4.810 -10.272 12.710 1.00 0.00 O ATOM 887 OE2 GLU A 55 4.396 -10.685 14.825 1.00 0.00 O1- ATOM 0 H GLU A 55 1.350 -9.035 15.296 1.00 0.00 H new ATOM 0 HA GLU A 55 3.514 -7.733 14.097 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.048 -8.903 12.761 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.622 -8.669 12.027 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.982 -10.576 14.303 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.245 -11.021 12.628 1.00 0.00 H new ATOM 894 N LYS A 56 0.555 -6.352 13.551 1.00 0.00 N ATOM 895 CA LYS A 56 -0.129 -5.138 13.109 1.00 0.00 C ATOM 896 C LYS A 56 0.388 -3.908 13.850 1.00 0.00 C ATOM 897 O LYS A 56 0.744 -2.909 13.226 1.00 0.00 O ATOM 898 CB LYS A 56 -1.644 -5.261 13.310 1.00 0.00 C ATOM 899 CG LYS A 56 -2.312 -6.248 12.368 1.00 0.00 C ATOM 900 CD LYS A 56 -3.826 -6.176 12.481 1.00 0.00 C ATOM 901 CE LYS A 56 -4.505 -7.006 11.407 1.00 0.00 C ATOM 902 NZ LYS A 56 -5.985 -6.856 11.436 1.00 0.00 N1+ ATOM 0 H LYS A 56 -0.070 -7.077 13.904 1.00 0.00 H new ATOM 0 HA LYS A 56 0.081 -5.017 12.046 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.841 -5.565 14.338 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.099 -4.280 13.175 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.011 -6.037 11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.975 -7.259 12.597 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.135 -6.529 13.465 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.149 -5.138 12.399 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.130 -6.708 10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.245 -8.056 11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.408 -7.440 10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.347 -7.165 12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.236 -5.859 11.281 1.00 0.00 H new ATOM 916 N GLY A 57 0.431 -3.993 15.176 1.00 0.00 N ATOM 917 CA GLY A 57 0.915 -2.887 15.982 1.00 0.00 C ATOM 918 C GLY A 57 2.337 -2.506 15.627 1.00 0.00 C ATOM 919 O GLY A 57 2.672 -1.325 15.558 1.00 0.00 O ATOM 0 H GLY A 57 0.138 -4.812 15.709 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.263 -2.025 15.843 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.865 -3.158 17.037 1.00 0.00 H new ATOM 923 N LYS A 58 3.164 -3.516 15.385 1.00 0.00 N ATOM 924 CA LYS A 58 4.547 -3.307 14.973 1.00 0.00 C ATOM 925 C LYS A 58 4.620 -2.532 13.657 1.00 0.00 C ATOM 926 O LYS A 58 5.363 -1.556 13.541 1.00 0.00 O ATOM 927 CB LYS A 58 5.250 -4.659 14.830 1.00 0.00 C ATOM 928 CG LYS A 58 6.603 -4.581 14.143 1.00 0.00 C ATOM 929 CD LYS A 58 7.194 -5.964 13.912 1.00 0.00 C ATOM 930 CE LYS A 58 6.204 -6.894 13.232 1.00 0.00 C ATOM 931 NZ LYS A 58 6.859 -8.134 12.746 1.00 0.00 N1+ ATOM 0 H LYS A 58 2.897 -4.497 15.468 1.00 0.00 H new ATOM 0 HA LYS A 58 5.050 -2.715 15.738 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.381 -5.096 15.820 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.606 -5.334 14.267 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.498 -4.065 13.188 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.287 -3.989 14.751 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.092 -5.878 13.300 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.499 -6.393 14.866 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.409 -7.153 13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.736 -6.377 12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.162 -8.906 12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.240 -7.974 11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.634 -8.392 13.390 1.00 0.00 H new ATOM 945 N PHE A 59 3.842 -2.962 12.671 1.00 0.00 N ATOM 946 CA PHE A 59 3.844 -2.312 11.366 1.00 0.00 C ATOM 947 C PHE A 59 3.270 -0.906 11.469 1.00 0.00 C ATOM 948 O PHE A 59 3.746 0.015 10.812 1.00 0.00 O ATOM 949 CB PHE A 59 3.043 -3.129 10.348 1.00 0.00 C ATOM 950 CG PHE A 59 3.586 -4.510 10.124 1.00 0.00 C ATOM 951 CD1 PHE A 59 4.943 -4.710 9.950 1.00 0.00 C ATOM 952 CD2 PHE A 59 2.741 -5.605 10.089 1.00 0.00 C ATOM 953 CE1 PHE A 59 5.450 -5.977 9.748 1.00 0.00 C ATOM 954 CE2 PHE A 59 3.243 -6.876 9.888 1.00 0.00 C ATOM 955 CZ PHE A 59 4.598 -7.061 9.716 1.00 0.00 C ATOM 0 H PHE A 59 3.204 -3.754 12.749 1.00 0.00 H new ATOM 0 HA PHE A 59 4.877 -2.248 11.024 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.010 -3.205 10.688 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.028 -2.595 9.398 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.614 -3.864 9.972 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.678 -5.465 10.220 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.512 -6.120 9.615 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.575 -7.724 9.866 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.992 -8.054 9.556 1.00 0.00 H new ATOM 965 N GLU A 60 2.256 -0.755 12.312 1.00 0.00 N ATOM 966 CA GLU A 60 1.614 0.535 12.531 1.00 0.00 C ATOM 967 C GLU A 60 2.584 1.513 13.196 1.00 0.00 C ATOM 968 O GLU A 60 2.570 2.713 12.910 1.00 0.00 O ATOM 969 CB GLU A 60 0.358 0.340 13.388 1.00 0.00 C ATOM 970 CG GLU A 60 -0.516 1.575 13.514 1.00 0.00 C ATOM 971 CD GLU A 60 -1.822 1.274 14.217 1.00 0.00 C ATOM 972 OE1 GLU A 60 -2.801 0.907 13.532 1.00 0.00 O1- ATOM 973 OE2 GLU A 60 -1.877 1.386 15.461 1.00 0.00 O ATOM 0 H GLU A 60 1.858 -1.518 12.860 1.00 0.00 H new ATOM 0 HA GLU A 60 1.323 0.960 11.570 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.236 -0.468 12.961 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.660 0.021 14.385 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.023 2.346 14.064 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.722 1.976 12.522 1.00 0.00 H new ATOM 980 N ASP A 61 3.431 0.989 14.074 1.00 0.00 N ATOM 981 CA ASP A 61 4.450 1.795 14.740 1.00 0.00 C ATOM 982 C ASP A 61 5.529 2.225 13.749 1.00 0.00 C ATOM 983 O ASP A 61 5.934 3.386 13.716 1.00 0.00 O ATOM 984 CB ASP A 61 5.081 1.011 15.895 1.00 0.00 C ATOM 985 CG ASP A 61 6.157 1.799 16.618 1.00 0.00 C ATOM 986 OD1 ASP A 61 7.329 1.736 16.197 1.00 0.00 O1- ATOM 987 OD2 ASP A 61 5.839 2.479 17.615 1.00 0.00 O ATOM 0 H ASP A 61 3.433 0.005 14.343 1.00 0.00 H new ATOM 0 HA ASP A 61 3.970 2.688 15.141 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.304 0.729 16.605 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.511 0.086 15.509 1.00 0.00 H new ATOM 992 N MET A 62 5.983 1.291 12.925 1.00 0.00 N ATOM 993 CA MET A 62 7.001 1.598 11.925 1.00 0.00 C ATOM 994 C MET A 62 6.451 2.551 10.868 1.00 0.00 C ATOM 995 O MET A 62 7.192 3.349 10.292 1.00 0.00 O ATOM 996 CB MET A 62 7.522 0.320 11.267 1.00 0.00 C ATOM 997 CG MET A 62 8.278 -0.585 12.227 1.00 0.00 C ATOM 998 SD MET A 62 9.101 -1.962 11.399 1.00 0.00 S ATOM 999 CE MET A 62 7.701 -2.838 10.710 1.00 0.00 C ATOM 0 H MET A 62 5.667 0.321 12.927 1.00 0.00 H new ATOM 0 HA MET A 62 7.832 2.087 12.433 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.682 -0.231 10.844 1.00 0.00 H new ATOM 0 HB3 MET A 62 8.177 0.587 10.438 1.00 0.00 H new ATOM 0 HG2 MET A 62 9.021 0.005 12.765 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.584 -0.978 12.970 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.989 -3.865 10.486 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.883 -2.840 11.430 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.377 -2.344 9.794 1.00 0.00 H new ATOM 1009 N ALA A 63 5.146 2.471 10.633 1.00 0.00 N ATOM 1010 CA ALA A 63 4.480 3.343 9.671 1.00 0.00 C ATOM 1011 C ALA A 63 4.495 4.794 10.137 1.00 0.00 C ATOM 1012 O ALA A 63 4.771 5.697 9.352 1.00 0.00 O ATOM 1013 CB ALA A 63 3.050 2.878 9.423 1.00 0.00 C ATOM 0 H ALA A 63 4.525 1.808 11.098 1.00 0.00 H new ATOM 0 HA ALA A 63 5.032 3.285 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.571 3.542 8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.061 1.862 9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.493 2.897 10.360 1.00 0.00 H new ATOM 1019 N LYS A 64 4.221 5.016 11.424 1.00 0.00 N ATOM 1020 CA LYS A 64 4.187 6.374 11.970 1.00 0.00 C ATOM 1021 C LYS A 64 5.552 7.039 11.812 1.00 0.00 C ATOM 1022 O LYS A 64 5.652 8.257 11.655 1.00 0.00 O ATOM 1023 CB LYS A 64 3.782 6.367 13.453 1.00 0.00 C ATOM 1024 CG LYS A 64 4.917 6.007 14.399 1.00 0.00 C ATOM 1025 CD LYS A 64 4.479 5.973 15.851 1.00 0.00 C ATOM 1026 CE LYS A 64 5.651 5.636 16.759 1.00 0.00 C ATOM 1027 NZ LYS A 64 5.271 5.627 18.194 1.00 0.00 N1+ ATOM 0 H LYS A 64 4.021 4.281 12.102 1.00 0.00 H new ATOM 0 HA LYS A 64 3.441 6.941 11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.398 7.352 13.720 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.966 5.658 13.594 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.320 5.033 14.122 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.724 6.730 14.284 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.061 6.939 16.132 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.688 5.234 15.980 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.050 4.659 16.485 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.449 6.362 16.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.103 5.392 18.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.915 6.566 18.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.528 4.916 18.352 1.00 0.00 H new ATOM 1041 N ALA A 65 6.597 6.221 11.863 1.00 0.00 N ATOM 1042 CA ALA A 65 7.959 6.702 11.698 1.00 0.00 C ATOM 1043 C ALA A 65 8.175 7.271 10.300 1.00 0.00 C ATOM 1044 O ALA A 65 8.500 8.447 10.146 1.00 0.00 O ATOM 1045 CB ALA A 65 8.952 5.585 11.980 1.00 0.00 C ATOM 0 H ALA A 65 6.523 5.216 12.018 1.00 0.00 H new ATOM 0 HA ALA A 65 8.124 7.506 12.416 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.967 5.960 11.852 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.821 5.232 13.003 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.780 4.761 11.287 1.00 0.00 H new ATOM 1051 N ASP A 66 7.963 6.445 9.282 1.00 0.00 N ATOM 1052 CA ASP A 66 8.225 6.854 7.901 1.00 0.00 C ATOM 1053 C ASP A 66 7.218 7.909 7.457 1.00 0.00 C ATOM 1054 O ASP A 66 7.507 8.726 6.588 1.00 0.00 O ATOM 1055 CB ASP A 66 8.177 5.648 6.963 1.00 0.00 C ATOM 1056 CG ASP A 66 9.018 5.837 5.711 1.00 0.00 C ATOM 1057 OD1 ASP A 66 10.262 5.828 5.830 1.00 0.00 O ATOM 1058 OD2 ASP A 66 8.451 5.941 4.601 1.00 0.00 O1- ATOM 0 H ASP A 66 7.612 5.492 9.382 1.00 0.00 H new ATOM 0 HA ASP A 66 9.225 7.286 7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.525 4.764 7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.143 5.460 6.675 1.00 0.00 H new ATOM 1063 N LYS A 67 6.041 7.889 8.076 1.00 0.00 N ATOM 1064 CA LYS A 67 5.015 8.899 7.831 1.00 0.00 C ATOM 1065 C LYS A 67 5.520 10.287 8.222 1.00 0.00 C ATOM 1066 O LYS A 67 5.371 11.248 7.467 1.00 0.00 O ATOM 1067 CB LYS A 67 3.734 8.536 8.600 1.00 0.00 C ATOM 1068 CG LYS A 67 2.684 9.638 8.664 1.00 0.00 C ATOM 1069 CD LYS A 67 2.774 10.411 9.973 1.00 0.00 C ATOM 1070 CE LYS A 67 1.684 11.462 10.086 1.00 0.00 C ATOM 1071 NZ LYS A 67 1.851 12.558 9.099 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.772 7.178 8.757 1.00 0.00 H new ATOM 0 HA LYS A 67 4.784 8.921 6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.287 7.657 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.007 8.256 9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.819 10.321 7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.690 9.203 8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.698 9.717 10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.750 10.891 10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.712 10.991 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.688 11.879 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.227 13.351 9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.840 12.881 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.603 12.211 8.150 1.00 0.00 H new ATOM 1085 N ALA A 68 6.128 10.391 9.398 1.00 0.00 N ATOM 1086 CA ALA A 68 6.670 11.666 9.850 1.00 0.00 C ATOM 1087 C ALA A 68 7.989 11.959 9.153 1.00 0.00 C ATOM 1088 O ALA A 68 8.392 13.115 9.021 1.00 0.00 O ATOM 1089 CB ALA A 68 6.844 11.687 11.358 1.00 0.00 C ATOM 0 H ALA A 68 6.257 9.617 10.049 1.00 0.00 H new ATOM 0 HA ALA A 68 5.957 12.447 9.587 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.250 12.651 11.664 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.878 11.531 11.838 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.529 10.894 11.656 1.00 0.00 H new ATOM 1095 N ARG A 69 8.661 10.908 8.704 1.00 0.00 N ATOM 1096 CA ARG A 69 9.872 11.065 7.917 1.00 0.00 C ATOM 1097 C ARG A 69 9.524 11.583 6.532 1.00 0.00 C ATOM 1098 O ARG A 69 10.294 12.315 5.933 1.00 0.00 O ATOM 1099 CB ARG A 69 10.655 9.753 7.834 1.00 0.00 C ATOM 1100 CG ARG A 69 11.259 9.347 9.167 1.00 0.00 C ATOM 1101 CD ARG A 69 11.976 8.010 9.094 1.00 0.00 C ATOM 1102 NE ARG A 69 12.457 7.597 10.412 1.00 0.00 N ATOM 1103 CZ ARG A 69 12.740 6.340 10.749 1.00 0.00 C ATOM 1104 NH1 ARG A 69 12.641 5.363 9.857 1.00 0.00 N1+ ATOM 1105 NH2 ARG A 69 13.140 6.064 11.983 1.00 0.00 N ATOM 0 H ARG A 69 8.387 9.940 8.872 1.00 0.00 H new ATOM 0 HA ARG A 69 10.515 11.793 8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.993 8.961 7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.450 9.855 7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.960 10.115 9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.471 9.293 9.919 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.300 7.253 8.697 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.816 8.082 8.403 1.00 0.00 H new ATOM 0 HE ARG A 69 12.584 8.320 11.120 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.346 5.571 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.860 4.404 10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.230 6.813 12.670 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.358 5.103 12.246 1.00 0.00 H new ATOM 1119 N TYR A 70 8.351 11.221 6.033 1.00 0.00 N ATOM 1120 CA TYR A 70 7.835 11.800 4.808 1.00 0.00 C ATOM 1121 C TYR A 70 7.730 13.313 4.960 1.00 0.00 C ATOM 1122 O TYR A 70 8.065 14.069 4.049 1.00 0.00 O ATOM 1123 CB TYR A 70 6.467 11.194 4.490 1.00 0.00 C ATOM 1124 CG TYR A 70 5.685 11.953 3.448 1.00 0.00 C ATOM 1125 CD1 TYR A 70 6.102 11.989 2.127 1.00 0.00 C ATOM 1126 CD2 TYR A 70 4.528 12.639 3.792 1.00 0.00 C ATOM 1127 CE1 TYR A 70 5.389 12.685 1.177 1.00 0.00 C ATOM 1128 CE2 TYR A 70 3.811 13.339 2.848 1.00 0.00 C ATOM 1129 CZ TYR A 70 4.243 13.360 1.541 1.00 0.00 C ATOM 1130 OH TYR A 70 3.526 14.056 0.597 1.00 0.00 O ATOM 0 H TYR A 70 7.739 10.526 6.462 1.00 0.00 H new ATOM 0 HA TYR A 70 8.514 11.580 3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.606 10.168 4.149 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.880 11.148 5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.000 11.463 1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.185 12.623 4.816 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.726 12.702 0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.914 13.869 3.131 1.00 0.00 H new ATOM 0 HH TYR A 70 2.746 14.473 1.020 1.00 0.00 H new ATOM 1140 N GLU A 71 7.273 13.736 6.128 1.00 0.00 N ATOM 1141 CA GLU A 71 7.177 15.150 6.460 1.00 0.00 C ATOM 1142 C GLU A 71 8.565 15.787 6.546 1.00 0.00 C ATOM 1143 O GLU A 71 8.893 16.708 5.794 1.00 0.00 O ATOM 1144 CB GLU A 71 6.440 15.311 7.793 1.00 0.00 C ATOM 1145 CG GLU A 71 4.987 14.874 7.742 1.00 0.00 C ATOM 1146 CD GLU A 71 4.314 14.935 9.096 1.00 0.00 C ATOM 1147 OE1 GLU A 71 4.032 16.053 9.576 1.00 0.00 O1- ATOM 1148 OE2 GLU A 71 4.066 13.867 9.693 1.00 0.00 O ATOM 0 H GLU A 71 6.959 13.112 6.871 1.00 0.00 H new ATOM 0 HA GLU A 71 6.621 15.658 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.958 14.732 8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.486 16.356 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.445 15.509 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.931 13.855 7.358 1.00 0.00 H new ATOM 1155 N ARG A 72 9.385 15.260 7.447 1.00 0.00 N ATOM 1156 CA ARG A 72 10.688 15.846 7.749 1.00 0.00 C ATOM 1157 C ARG A 72 11.665 15.726 6.582 1.00 0.00 C ATOM 1158 O ARG A 72 12.388 16.674 6.276 1.00 0.00 O ATOM 1159 CB ARG A 72 11.287 15.182 8.992 1.00 0.00 C ATOM 1160 CG ARG A 72 10.465 15.389 10.254 1.00 0.00 C ATOM 1161 CD ARG A 72 10.400 16.857 10.633 1.00 0.00 C ATOM 1162 NE ARG A 72 9.591 17.088 11.825 1.00 0.00 N ATOM 1163 CZ ARG A 72 9.486 18.268 12.430 1.00 0.00 C ATOM 1164 NH1 ARG A 72 10.179 19.310 11.988 1.00 0.00 N1+ ATOM 1165 NH2 ARG A 72 8.700 18.399 13.487 1.00 0.00 N ATOM 0 H ARG A 72 9.169 14.421 7.986 1.00 0.00 H new ATOM 0 HA ARG A 72 10.527 16.908 7.934 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.389 14.113 8.808 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.291 15.575 9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.456 15.005 10.101 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.902 14.818 11.073 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.410 17.230 10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.987 17.426 9.801 1.00 0.00 H new ATOM 0 HE ARG A 72 9.076 16.299 12.217 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.795 19.208 11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.096 20.213 12.455 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.177 17.596 13.836 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.618 19.303 13.953 1.00 0.00 H new ATOM 1179 N GLU A 73 11.680 14.573 5.930 1.00 0.00 N ATOM 1180 CA GLU A 73 12.664 14.308 4.892 1.00 0.00 C ATOM 1181 C GLU A 73 12.317 15.016 3.593 1.00 0.00 C ATOM 1182 O GLU A 73 13.170 15.664 2.999 1.00 0.00 O ATOM 1183 CB GLU A 73 12.808 12.810 4.636 1.00 0.00 C ATOM 1184 CG GLU A 73 13.952 12.476 3.700 1.00 0.00 C ATOM 1185 CD GLU A 73 15.255 13.087 4.167 1.00 0.00 C ATOM 1186 OE1 GLU A 73 15.681 12.782 5.301 1.00 0.00 O1- ATOM 1187 OE2 GLU A 73 15.839 13.902 3.428 1.00 0.00 O ATOM 0 H GLU A 73 11.025 13.810 6.100 1.00 0.00 H new ATOM 0 HA GLU A 73 13.615 14.699 5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.962 12.298 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.878 12.428 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.062 11.394 3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.719 12.837 2.698 1.00 0.00 H new ATOM 1194 N MET A 74 11.069 14.907 3.151 1.00 0.00 N ATOM 1195 CA MET A 74 10.677 15.492 1.872 1.00 0.00 C ATOM 1196 C MET A 74 10.666 17.014 1.965 1.00 0.00 C ATOM 1197 O MET A 74 10.579 17.712 0.956 1.00 0.00 O ATOM 1198 CB MET A 74 9.327 14.945 1.405 1.00 0.00 C ATOM 1199 CG MET A 74 8.986 15.320 -0.031 1.00 0.00 C ATOM 1200 SD MET A 74 7.777 14.208 -0.774 1.00 0.00 S ATOM 1201 CE MET A 74 8.702 12.674 -0.762 1.00 0.00 C ATOM 0 H MET A 74 10.320 14.427 3.650 1.00 0.00 H new ATOM 0 HA MET A 74 11.415 15.207 1.122 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.332 13.859 1.498 1.00 0.00 H new ATOM 0 HB3 MET A 74 8.544 15.318 2.066 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.598 16.338 -0.054 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.897 15.312 -0.630 1.00 0.00 H new ATOM 0 HE1 MET A 74 8.814 12.309 -1.783 1.00 0.00 H new ATOM 0 HE2 MET A 74 9.687 12.846 -0.328 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.168 11.932 -0.168 1.00 0.00 H new ATOM 1211 N LYS A 75 10.770 17.521 3.188 1.00 0.00 N ATOM 1212 CA LYS A 75 11.018 18.932 3.415 1.00 0.00 C ATOM 1213 C LYS A 75 12.351 19.331 2.771 1.00 0.00 C ATOM 1214 O LYS A 75 12.496 20.432 2.244 1.00 0.00 O ATOM 1215 CB LYS A 75 11.067 19.210 4.919 1.00 0.00 C ATOM 1216 CG LYS A 75 10.839 20.661 5.288 1.00 0.00 C ATOM 1217 CD LYS A 75 9.377 21.038 5.130 1.00 0.00 C ATOM 1218 CE LYS A 75 9.118 22.465 5.578 1.00 0.00 C ATOM 1219 NZ LYS A 75 7.668 22.792 5.586 1.00 0.00 N1+ ATOM 0 H LYS A 75 10.685 16.968 4.041 1.00 0.00 H new ATOM 0 HA LYS A 75 10.214 19.516 2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.314 18.598 5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.037 18.897 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.153 20.832 6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.454 21.302 4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.082 20.924 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.759 20.355 5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.528 22.611 6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.641 23.154 4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.536 23.775 5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.281 22.678 4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.171 22.152 6.238 1.00 0.00 H new ATOM 1233 N THR A 76 13.317 18.412 2.814 1.00 0.00 N ATOM 1234 CA THR A 76 14.644 18.647 2.258 1.00 0.00 C ATOM 1235 C THR A 76 14.870 17.845 0.979 1.00 0.00 C ATOM 1236 O THR A 76 15.781 18.130 0.207 1.00 0.00 O ATOM 1237 CB THR A 76 15.735 18.272 3.277 1.00 0.00 C ATOM 1238 OG1 THR A 76 15.515 16.945 3.788 1.00 0.00 O ATOM 1239 CG2 THR A 76 15.747 19.247 4.435 1.00 0.00 C ATOM 0 H THR A 76 13.199 17.490 3.234 1.00 0.00 H new ATOM 0 HA THR A 76 14.705 19.710 2.023 1.00 0.00 H new ATOM 0 HB THR A 76 16.695 18.311 2.762 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.752 16.539 3.326 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.526 18.962 5.142 1.00 0.00 H new ATOM 0 HG22 THR A 76 15.945 20.252 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.779 19.230 4.935 1.00 0.00 H new ATOM 1247 N TYR A 77 14.046 16.833 0.779 1.00 0.00 N ATOM 1248 CA TYR A 77 14.153 15.959 -0.377 1.00 0.00 C ATOM 1249 C TYR A 77 13.366 16.526 -1.548 1.00 0.00 C ATOM 1250 O TYR A 77 12.175 16.816 -1.429 1.00 0.00 O ATOM 1251 CB TYR A 77 13.646 14.559 -0.012 1.00 0.00 C ATOM 1252 CG TYR A 77 13.464 13.621 -1.194 1.00 0.00 C ATOM 1253 CD1 TYR A 77 14.525 12.887 -1.712 1.00 0.00 C ATOM 1254 CD2 TYR A 77 12.213 13.466 -1.784 1.00 0.00 C ATOM 1255 CE1 TYR A 77 14.344 12.030 -2.783 1.00 0.00 C ATOM 1256 CE2 TYR A 77 12.026 12.614 -2.855 1.00 0.00 C ATOM 1257 CZ TYR A 77 13.093 11.897 -3.350 1.00 0.00 C ATOM 1258 OH TYR A 77 12.905 11.038 -4.412 1.00 0.00 O ATOM 0 H TYR A 77 13.284 16.593 1.413 1.00 0.00 H new ATOM 0 HA TYR A 77 15.199 15.890 -0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.346 14.106 0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 77 12.693 14.657 0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 77 15.506 12.987 -1.271 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.372 14.023 -1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.179 11.467 -3.174 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.048 12.511 -3.302 1.00 0.00 H new ATOM 0 HH TYR A 77 11.966 11.063 -4.691 1.00 0.00 H new ATOM 1268 N ILE A 78 14.041 16.690 -2.672 1.00 0.00 N ATOM 1269 CA ILE A 78 13.404 17.201 -3.871 1.00 0.00 C ATOM 1270 C ILE A 78 13.244 16.086 -4.896 1.00 0.00 C ATOM 1271 O ILE A 78 14.231 15.578 -5.434 1.00 0.00 O ATOM 1272 CB ILE A 78 14.195 18.370 -4.515 1.00 0.00 C ATOM 1273 CG1 ILE A 78 14.319 19.562 -3.555 1.00 0.00 C ATOM 1274 CG2 ILE A 78 13.532 18.815 -5.814 1.00 0.00 C ATOM 1275 CD1 ILE A 78 15.434 19.428 -2.539 1.00 0.00 C ATOM 0 H ILE A 78 15.033 16.476 -2.779 1.00 0.00 H new ATOM 0 HA ILE A 78 12.429 17.583 -3.569 1.00 0.00 H new ATOM 0 HB ILE A 78 15.198 18.005 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 78 14.481 20.468 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.374 19.688 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.101 19.636 -6.251 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.505 17.980 -6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.515 19.148 -5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 78 15.453 20.311 -1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 78 15.264 18.542 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 78 16.389 19.334 -3.057 1.00 0.00 H new ATOM 1287 N PRO A 79 11.997 15.663 -5.147 1.00 0.00 N ATOM 1288 CA PRO A 79 11.693 14.696 -6.202 1.00 0.00 C ATOM 1289 C PRO A 79 12.180 15.189 -7.565 1.00 0.00 C ATOM 1290 O PRO A 79 11.948 16.345 -7.930 1.00 0.00 O ATOM 1291 CB PRO A 79 10.165 14.597 -6.177 1.00 0.00 C ATOM 1292 CG PRO A 79 9.772 15.051 -4.814 1.00 0.00 C ATOM 1293 CD PRO A 79 10.790 16.081 -4.413 1.00 0.00 C ATOM 0 HA PRO A 79 12.185 13.737 -6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.716 15.225 -6.947 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.832 13.576 -6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.768 15.475 -4.818 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.763 14.217 -4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.477 17.087 -4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 79 10.955 16.086 -3.336 1.00 0.00 H new ATOM 1301 N PRO A 80 12.872 14.324 -8.321 1.00 0.00 N ATOM 1302 CA PRO A 80 13.438 14.682 -9.626 1.00 0.00 C ATOM 1303 C PRO A 80 12.391 15.237 -10.584 1.00 0.00 C ATOM 1304 O PRO A 80 11.332 14.637 -10.778 1.00 0.00 O ATOM 1305 CB PRO A 80 13.989 13.356 -10.156 1.00 0.00 C ATOM 1306 CG PRO A 80 14.222 12.529 -8.941 1.00 0.00 C ATOM 1307 CD PRO A 80 13.155 12.925 -7.962 1.00 0.00 C ATOM 0 HA PRO A 80 14.188 15.467 -9.536 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.282 12.876 -10.832 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.912 13.507 -10.715 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.162 11.466 -9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 80 15.215 12.710 -8.530 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.269 12.298 -8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 80 13.500 12.835 -6.932 1.00 0.00 H new ATOM 1315 N LYS A 81 12.691 16.386 -11.175 1.00 0.00 N ATOM 1316 CA LYS A 81 11.799 17.009 -12.140 1.00 0.00 C ATOM 1317 C LYS A 81 11.873 16.263 -13.465 1.00 0.00 C ATOM 1318 O LYS A 81 12.795 16.469 -14.258 1.00 0.00 O ATOM 1319 CB LYS A 81 12.167 18.489 -12.328 1.00 0.00 C ATOM 1320 CG LYS A 81 11.359 19.213 -13.401 1.00 0.00 C ATOM 1321 CD LYS A 81 9.867 19.210 -13.099 1.00 0.00 C ATOM 1322 CE LYS A 81 9.550 19.910 -11.786 1.00 0.00 C ATOM 1323 NZ LYS A 81 8.086 20.013 -11.557 1.00 0.00 N1+ ATOM 0 H LYS A 81 13.551 16.907 -11.001 1.00 0.00 H new ATOM 0 HA LYS A 81 10.776 16.958 -11.767 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.032 19.007 -11.379 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.225 18.558 -12.580 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.709 20.242 -13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.533 18.738 -14.367 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.332 19.702 -13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.507 18.182 -13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.009 19.364 -10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.989 20.908 -11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.909 20.496 -10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.651 20.556 -12.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.671 19.060 -11.527 1.00 0.00 H new ATOM 1337 N GLY A 82 10.913 15.381 -13.686 1.00 0.00 N ATOM 1338 CA GLY A 82 10.920 14.555 -14.859 1.00 0.00 C ATOM 1339 C GLY A 82 10.441 13.161 -14.539 1.00 0.00 C ATOM 1340 O GLY A 82 10.417 12.761 -13.373 1.00 0.00 O ATOM 0 H GLY A 82 10.122 15.226 -13.061 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.281 14.997 -15.623 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.928 14.512 -15.272 1.00 0.00 H new ATOM 1344 N GLU A 83 10.042 12.438 -15.566 1.00 0.00 N ATOM 1345 CA GLU A 83 9.574 11.059 -15.419 1.00 0.00 C ATOM 1346 C GLU A 83 10.594 10.177 -14.693 1.00 0.00 C ATOM 1347 O GLU A 83 10.347 9.718 -13.571 1.00 0.00 O ATOM 1348 CB GLU A 83 9.231 10.466 -16.792 1.00 0.00 C ATOM 1349 CG GLU A 83 10.225 10.804 -17.902 1.00 0.00 C ATOM 1350 CD GLU A 83 11.638 10.334 -17.618 1.00 0.00 C ATOM 1351 OE1 GLU A 83 11.826 9.131 -17.351 1.00 0.00 O1- ATOM 1352 OE2 GLU A 83 12.563 11.172 -17.649 1.00 0.00 O ATOM 0 H GLU A 83 10.030 12.781 -16.526 1.00 0.00 H new ATOM 0 HA GLU A 83 8.674 11.083 -14.804 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.167 9.382 -16.698 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.243 10.819 -17.088 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.882 10.354 -18.834 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.234 11.883 -18.053 1.00 0.00 H new TER 1359 GLU A 83 ATOM 1360 N LEU B 14 -35.307 18.165 1.873 1.00 0.00 N ATOM 1361 CA LEU B 14 -35.039 16.751 1.655 1.00 0.00 C ATOM 1362 C LEU B 14 -34.727 16.494 0.183 1.00 0.00 C ATOM 1363 O LEU B 14 -35.632 16.311 -0.634 1.00 0.00 O ATOM 1364 CB LEU B 14 -36.227 15.882 2.097 1.00 0.00 C ATOM 1365 CG LEU B 14 -36.608 15.963 3.583 1.00 0.00 C ATOM 1366 CD1 LEU B 14 -37.422 17.215 3.870 1.00 0.00 C ATOM 1367 CD2 LEU B 14 -37.381 14.722 4.002 1.00 0.00 C ATOM 0 HA LEU B 14 -34.174 16.478 2.260 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -37.097 16.163 1.504 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -36.000 14.843 1.857 1.00 0.00 H new ATOM 0 HG LEU B 14 -35.688 16.015 4.165 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -37.678 17.247 4.929 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -36.836 18.097 3.611 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -38.336 17.199 3.276 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -37.643 14.796 5.057 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -38.291 14.642 3.407 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -36.764 13.838 3.842 1.00 0.00 H new ATOM 1379 N SER B 15 -33.445 16.509 -0.154 1.00 0.00 N ATOM 1380 CA SER B 15 -33.016 16.308 -1.529 1.00 0.00 C ATOM 1381 C SER B 15 -33.146 14.837 -1.925 1.00 0.00 C ATOM 1382 O SER B 15 -33.628 14.516 -3.011 1.00 0.00 O ATOM 1383 CB SER B 15 -31.579 16.795 -1.698 1.00 0.00 C ATOM 1384 OG SER B 15 -31.451 18.138 -1.250 1.00 0.00 O ATOM 0 H SER B 15 -32.683 16.659 0.508 1.00 0.00 H new ATOM 0 HA SER B 15 -33.660 16.888 -2.190 1.00 0.00 H new ATOM 0 HB2 SER B 15 -30.903 16.152 -1.135 1.00 0.00 H new ATOM 0 HB3 SER B 15 -31.286 16.726 -2.746 1.00 0.00 H new ATOM 0 HG SER B 15 -30.524 18.434 -1.364 1.00 0.00 H new ATOM 1390 N GLN B 16 -32.723 13.945 -1.038 1.00 0.00 N ATOM 1391 CA GLN B 16 -32.887 12.516 -1.266 1.00 0.00 C ATOM 1392 C GLN B 16 -33.514 11.850 -0.042 1.00 0.00 C ATOM 1393 O GLN B 16 -32.856 11.120 0.694 1.00 0.00 O ATOM 1394 CB GLN B 16 -31.549 11.853 -1.630 1.00 0.00 C ATOM 1395 CG GLN B 16 -30.453 12.045 -0.592 1.00 0.00 C ATOM 1396 CD GLN B 16 -29.179 11.294 -0.933 1.00 0.00 C ATOM 1397 OE1 GLN B 16 -29.211 10.253 -1.585 1.00 0.00 O ATOM 1398 NE2 GLN B 16 -28.049 11.810 -0.476 1.00 0.00 N ATOM 0 H GLN B 16 -32.266 14.185 -0.158 1.00 0.00 H new ATOM 0 HA GLN B 16 -33.560 12.382 -2.113 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -31.713 10.785 -1.775 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -31.205 12.255 -2.583 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -30.229 13.108 -0.500 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -30.817 11.711 0.380 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -28.065 12.677 0.062 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -27.162 11.341 -0.662 1.00 0.00 H new ATOM 1407 N GLU B 17 -34.793 12.126 0.188 1.00 0.00 N ATOM 1408 CA GLU B 17 -35.490 11.579 1.351 1.00 0.00 C ATOM 1409 C GLU B 17 -35.553 10.052 1.294 1.00 0.00 C ATOM 1410 O GLU B 17 -34.907 9.370 2.086 1.00 0.00 O ATOM 1411 CB GLU B 17 -36.895 12.179 1.476 1.00 0.00 C ATOM 1412 CG GLU B 17 -37.692 12.182 0.182 1.00 0.00 C ATOM 1413 CD GLU B 17 -39.118 12.643 0.381 1.00 0.00 C ATOM 1414 OE1 GLU B 17 -39.962 11.811 0.766 1.00 0.00 O1- ATOM 1415 OE2 GLU B 17 -39.403 13.834 0.142 1.00 0.00 O ATOM 0 H GLU B 17 -35.367 12.721 -0.410 1.00 0.00 H new ATOM 0 HA GLU B 17 -34.921 11.854 2.239 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -37.450 11.620 2.229 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -36.809 13.203 1.838 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -37.201 12.833 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -37.694 11.178 -0.242 1.00 0.00 H new ATOM 1422 N THR B 18 -36.324 9.522 0.361 1.00 0.00 N ATOM 1423 CA THR B 18 -36.412 8.085 0.166 1.00 0.00 C ATOM 1424 C THR B 18 -35.682 7.672 -1.105 1.00 0.00 C ATOM 1425 O THR B 18 -35.533 6.488 -1.402 1.00 0.00 O ATOM 1426 CB THR B 18 -37.882 7.647 0.073 1.00 0.00 C ATOM 1427 OG1 THR B 18 -38.561 8.461 -0.893 1.00 0.00 O ATOM 1428 CG2 THR B 18 -38.574 7.768 1.425 1.00 0.00 C ATOM 0 H THR B 18 -36.902 10.069 -0.277 1.00 0.00 H new ATOM 0 HA THR B 18 -35.944 7.598 1.021 1.00 0.00 H new ATOM 0 HB THR B 18 -37.914 6.602 -0.235 1.00 0.00 H new ATOM 0 HG1 THR B 18 -39.498 8.182 -0.955 1.00 0.00 H new ATOM 0 HG21 THR B 18 -39.613 7.452 1.332 1.00 0.00 H new ATOM 0 HG22 THR B 18 -38.066 7.134 2.152 1.00 0.00 H new ATOM 0 HG23 THR B 18 -38.539 8.805 1.760 1.00 0.00 H new ATOM 1436 N PHE B 19 -35.196 8.668 -1.837 1.00 0.00 N ATOM 1437 CA PHE B 19 -34.591 8.445 -3.142 1.00 0.00 C ATOM 1438 C PHE B 19 -33.282 7.670 -3.032 1.00 0.00 C ATOM 1439 O PHE B 19 -32.855 7.021 -3.985 1.00 0.00 O ATOM 1440 CB PHE B 19 -34.362 9.783 -3.841 1.00 0.00 C ATOM 1441 CG PHE B 19 -35.633 10.555 -4.073 1.00 0.00 C ATOM 1442 CD1 PHE B 19 -36.433 10.287 -5.171 1.00 0.00 C ATOM 1443 CD2 PHE B 19 -36.030 11.548 -3.189 1.00 0.00 C ATOM 1444 CE1 PHE B 19 -37.602 10.992 -5.384 1.00 0.00 C ATOM 1445 CE2 PHE B 19 -37.197 12.256 -3.398 1.00 0.00 C ATOM 1446 CZ PHE B 19 -37.984 11.979 -4.497 1.00 0.00 C ATOM 0 H PHE B 19 -35.210 9.645 -1.544 1.00 0.00 H new ATOM 0 HA PHE B 19 -35.278 7.841 -3.734 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -33.682 10.387 -3.241 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -33.872 9.606 -4.798 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -36.140 9.517 -5.870 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -35.419 11.770 -2.327 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -38.217 10.771 -6.244 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -37.494 13.026 -2.702 1.00 0.00 H new ATOM 0 HZ PHE B 19 -38.896 12.533 -4.663 1.00 0.00 H new ATOM 1456 N SER B 20 -32.658 7.732 -1.866 1.00 0.00 N ATOM 1457 CA SER B 20 -31.410 7.026 -1.626 1.00 0.00 C ATOM 1458 C SER B 20 -31.657 5.537 -1.424 1.00 0.00 C ATOM 1459 O SER B 20 -30.799 4.706 -1.701 1.00 0.00 O ATOM 1460 CB SER B 20 -30.730 7.613 -0.390 1.00 0.00 C ATOM 1461 OG SER B 20 -31.640 7.674 0.700 1.00 0.00 O ATOM 0 H SER B 20 -32.998 8.267 -1.067 1.00 0.00 H new ATOM 0 HA SER B 20 -30.765 7.147 -2.496 1.00 0.00 H new ATOM 0 HB2 SER B 20 -29.869 7.003 -0.118 1.00 0.00 H new ATOM 0 HB3 SER B 20 -30.355 8.612 -0.614 1.00 0.00 H new ATOM 0 HG SER B 20 -31.818 6.768 1.029 1.00 0.00 H new ATOM 1467 N ASP B 21 -32.841 5.204 -0.947 1.00 0.00 N ATOM 1468 CA ASP B 21 -33.156 3.831 -0.596 1.00 0.00 C ATOM 1469 C ASP B 21 -33.967 3.153 -1.689 1.00 0.00 C ATOM 1470 O ASP B 21 -34.250 1.957 -1.612 1.00 0.00 O ATOM 1471 CB ASP B 21 -33.889 3.774 0.744 1.00 0.00 C ATOM 1472 CG ASP B 21 -32.965 4.053 1.916 1.00 0.00 C ATOM 1473 OD1 ASP B 21 -32.502 5.207 2.059 1.00 0.00 O1- ATOM 1474 OD2 ASP B 21 -32.674 3.105 2.683 1.00 0.00 O ATOM 0 H ASP B 21 -33.602 5.866 -0.793 1.00 0.00 H new ATOM 0 HA ASP B 21 -32.217 3.286 -0.497 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -34.701 4.501 0.743 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -34.342 2.790 0.867 1.00 0.00 H new ATOM 1479 N LEU B 22 -34.328 3.922 -2.712 1.00 0.00 N ATOM 1480 CA LEU B 22 -35.089 3.398 -3.843 1.00 0.00 C ATOM 1481 C LEU B 22 -34.337 2.269 -4.542 1.00 0.00 C ATOM 1482 O LEU B 22 -34.934 1.274 -4.953 1.00 0.00 O ATOM 1483 CB LEU B 22 -35.392 4.508 -4.851 1.00 0.00 C ATOM 1484 CG LEU B 22 -36.319 5.612 -4.348 1.00 0.00 C ATOM 1485 CD1 LEU B 22 -36.507 6.670 -5.420 1.00 0.00 C ATOM 1486 CD2 LEU B 22 -37.661 5.033 -3.929 1.00 0.00 C ATOM 0 H LEU B 22 -34.105 4.915 -2.781 1.00 0.00 H new ATOM 0 HA LEU B 22 -36.025 3.002 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -34.450 4.961 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -35.838 4.058 -5.738 1.00 0.00 H new ATOM 0 HG LEU B 22 -35.861 6.079 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -37.170 7.451 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -35.541 7.105 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -36.945 6.214 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -38.308 5.835 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -38.128 4.542 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -37.511 4.307 -3.130 1.00 0.00 H new ATOM 1498 N TRP B 23 -33.025 2.423 -4.677 1.00 0.00 N ATOM 1499 CA TRP B 23 -32.210 1.399 -5.316 1.00 0.00 C ATOM 1500 C TRP B 23 -31.766 0.366 -4.284 1.00 0.00 C ATOM 1501 O TRP B 23 -31.245 -0.694 -4.624 1.00 0.00 O ATOM 1502 CB TRP B 23 -30.995 2.029 -6.017 1.00 0.00 C ATOM 1503 CG TRP B 23 -29.967 2.594 -5.084 1.00 0.00 C ATOM 1504 CD1 TRP B 23 -29.946 3.849 -4.549 1.00 0.00 C ATOM 1505 CD2 TRP B 23 -28.801 1.925 -4.589 1.00 0.00 C ATOM 1506 NE1 TRP B 23 -28.844 3.996 -3.741 1.00 0.00 N ATOM 1507 CE2 TRP B 23 -28.126 2.830 -3.750 1.00 0.00 C ATOM 1508 CE3 TRP B 23 -28.266 0.646 -4.770 1.00 0.00 C ATOM 1509 CZ2 TRP B 23 -26.943 2.495 -3.094 1.00 0.00 C ATOM 1510 CZ3 TRP B 23 -27.093 0.317 -4.119 1.00 0.00 C ATOM 1511 CH2 TRP B 23 -26.444 1.238 -3.290 1.00 0.00 C ATOM 0 H TRP B 23 -32.507 3.241 -4.355 1.00 0.00 H new ATOM 0 HA TRP B 23 -32.810 0.897 -6.075 1.00 0.00 H new ATOM 0 HB2 TRP B 23 -30.522 1.275 -6.646 1.00 0.00 H new ATOM 0 HB3 TRP B 23 -31.343 2.822 -6.678 1.00 0.00 H new ATOM 0 HD1 TRP B 23 -30.686 4.614 -4.733 1.00 0.00 H new ATOM 0 HE1 TRP B 23 -28.600 4.838 -3.219 1.00 0.00 H new ATOM 0 HE3 TRP B 23 -28.761 -0.072 -5.407 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 -26.439 3.203 -2.454 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 -26.670 -0.668 -4.252 1.00 0.00 H new ATOM 0 HH2 TRP B 23 -25.529 0.949 -2.794 1.00 0.00 H new ATOM 1522 N LYS B 24 -32.012 0.678 -3.020 1.00 0.00 N ATOM 1523 CA LYS B 24 -31.603 -0.176 -1.917 1.00 0.00 C ATOM 1524 C LYS B 24 -32.728 -1.126 -1.517 1.00 0.00 C ATOM 1525 O LYS B 24 -32.778 -1.605 -0.382 1.00 0.00 O ATOM 1526 CB LYS B 24 -31.184 0.680 -0.720 1.00 0.00 C ATOM 1527 CG LYS B 24 -29.918 1.486 -0.965 1.00 0.00 C ATOM 1528 CD LYS B 24 -29.615 2.434 0.186 1.00 0.00 C ATOM 1529 CE LYS B 24 -29.422 1.696 1.500 1.00 0.00 C ATOM 1530 NZ LYS B 24 -29.031 2.621 2.595 1.00 0.00 N1+ ATOM 0 H LYS B 24 -32.499 1.527 -2.732 1.00 0.00 H new ATOM 0 HA LYS B 24 -30.753 -0.775 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -31.996 1.362 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -31.032 0.033 0.144 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -29.077 0.807 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -30.025 2.057 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -28.716 3.006 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -30.430 3.150 0.289 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -30.345 1.183 1.769 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -28.656 0.930 1.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -28.908 2.083 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -28.137 3.092 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -29.774 3.336 2.727 1.00 0.00 H new ATOM 1544 N LEU B 25 -33.627 -1.403 -2.456 1.00 0.00 N ATOM 1545 CA LEU B 25 -34.706 -2.357 -2.223 1.00 0.00 C ATOM 1546 C LEU B 25 -34.160 -3.782 -2.191 1.00 0.00 C ATOM 1547 O LEU B 25 -34.812 -4.703 -1.697 1.00 0.00 O ATOM 1548 CB LEU B 25 -35.786 -2.228 -3.300 1.00 0.00 C ATOM 1549 CG LEU B 25 -36.537 -0.894 -3.316 1.00 0.00 C ATOM 1550 CD1 LEU B 25 -37.587 -0.888 -4.417 1.00 0.00 C ATOM 1551 CD2 LEU B 25 -37.177 -0.623 -1.961 1.00 0.00 C ATOM 0 H LEU B 25 -33.630 -0.981 -3.385 1.00 0.00 H new ATOM 0 HA LEU B 25 -35.156 -2.133 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -35.323 -2.377 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -36.509 -3.032 -3.164 1.00 0.00 H new ATOM 0 HG LEU B 25 -35.821 -0.098 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -38.112 0.067 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -37.103 -1.033 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -38.300 -1.694 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -37.706 0.330 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -37.881 -1.421 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -36.403 -0.583 -1.195 1.00 0.00 H new ATOM 1563 N LEU B 26 -32.961 -3.953 -2.730 1.00 0.00 N ATOM 1564 CA LEU B 26 -32.260 -5.222 -2.648 1.00 0.00 C ATOM 1565 C LEU B 26 -31.579 -5.348 -1.290 1.00 0.00 C ATOM 1566 O LEU B 26 -31.036 -4.371 -0.773 1.00 0.00 O ATOM 1567 CB LEU B 26 -31.246 -5.364 -3.799 1.00 0.00 C ATOM 1568 CG LEU B 26 -30.510 -4.083 -4.227 1.00 0.00 C ATOM 1569 CD1 LEU B 26 -29.413 -3.712 -3.241 1.00 0.00 C ATOM 1570 CD2 LEU B 26 -29.933 -4.252 -5.624 1.00 0.00 C ATOM 0 H LEU B 26 -32.453 -3.224 -3.231 1.00 0.00 H new ATOM 0 HA LEU B 26 -32.982 -6.033 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -30.501 -6.104 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -31.770 -5.763 -4.668 1.00 0.00 H new ATOM 0 HG LEU B 26 -31.234 -3.268 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -28.915 -2.802 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -29.850 -3.545 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -28.687 -4.523 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -29.414 -3.339 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -29.231 -5.086 -5.629 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -30.740 -4.453 -6.329 1.00 0.00 H new ATOM 1582 N PRO B 27 -31.633 -6.532 -0.670 1.00 0.00 N ATOM 1583 CA PRO B 27 -31.011 -6.759 0.628 1.00 0.00 C ATOM 1584 C PRO B 27 -29.499 -6.877 0.514 1.00 0.00 C ATOM 1585 O PRO B 27 -28.971 -7.946 0.215 1.00 0.00 O ATOM 1586 CB PRO B 27 -31.620 -8.087 1.109 1.00 0.00 C ATOM 1587 CG PRO B 27 -32.677 -8.438 0.113 1.00 0.00 C ATOM 1588 CD PRO B 27 -32.308 -7.735 -1.161 1.00 0.00 C ATOM 0 HA PRO B 27 -31.191 -5.933 1.315 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -30.861 -8.867 1.164 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -32.044 -7.983 2.108 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -32.725 -9.516 -0.038 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -33.660 -8.121 0.461 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -31.653 -8.342 -1.786 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -33.185 -7.493 -1.761 1.00 0.00 H new ATOM 1596 N GLU B 28 -28.818 -5.761 0.729 1.00 0.00 N ATOM 1597 CA GLU B 28 -27.364 -5.712 0.729 1.00 0.00 C ATOM 1598 C GLU B 28 -26.886 -4.755 1.812 1.00 0.00 C ATOM 1599 O GLU B 28 -27.685 -4.009 2.385 1.00 0.00 O ATOM 1600 CB GLU B 28 -26.826 -5.250 -0.632 1.00 0.00 C ATOM 1601 CG GLU B 28 -26.961 -6.279 -1.743 1.00 0.00 C ATOM 1602 CD GLU B 28 -26.157 -7.537 -1.479 1.00 0.00 C ATOM 1603 OE1 GLU B 28 -24.947 -7.429 -1.193 1.00 0.00 O ATOM 1604 OE2 GLU B 28 -26.724 -8.643 -1.576 1.00 0.00 O1- ATOM 0 H GLU B 28 -29.261 -4.860 0.909 1.00 0.00 H new ATOM 0 HA GLU B 28 -26.989 -6.716 0.926 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -27.352 -4.343 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -25.774 -4.987 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -28.012 -6.543 -1.862 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -26.635 -5.836 -2.684 1.00 0.00 H new ATOM 1611 N ASN B 29 -25.589 -4.774 2.079 1.00 0.00 N ATOM 1612 CA ASN B 29 -24.997 -3.890 3.079 1.00 0.00 C ATOM 1613 C ASN B 29 -25.026 -2.438 2.610 1.00 0.00 C ATOM 1614 O ASN B 29 -25.289 -1.531 3.400 1.00 0.00 O ATOM 1615 CB ASN B 29 -23.550 -4.312 3.394 1.00 0.00 C ATOM 1616 CG ASN B 29 -22.608 -4.190 2.200 1.00 0.00 C ATOM 1617 OD1 ASN B 29 -23.010 -4.351 1.045 1.00 0.00 O ATOM 1618 ND2 ASN B 29 -21.348 -3.897 2.466 1.00 0.00 N ATOM 0 H ASN B 29 -24.922 -5.393 1.617 1.00 0.00 H new ATOM 0 HA ASN B 29 -25.592 -3.973 3.989 1.00 0.00 H new ATOM 0 HB2 ASN B 29 -23.170 -3.698 4.211 1.00 0.00 H new ATOM 0 HB3 ASN B 29 -23.549 -5.344 3.744 1.00 0.00 H new ATOM 0 HD21 ASN B 29 -20.676 -3.798 1.705 1.00 0.00 H new ATOM 0 HD22 ASN B 29 -21.047 -3.770 3.432 1.00 0.00 H new ATOM 1625 N ASN B 30 -24.800 -2.250 1.308 1.00 0.00 N ATOM 1626 CA ASN B 30 -24.653 -0.926 0.689 1.00 0.00 C ATOM 1627 C ASN B 30 -24.004 -1.083 -0.683 1.00 0.00 C ATOM 1628 O ASN B 30 -24.133 -0.219 -1.551 1.00 0.00 O ATOM 1629 CB ASN B 30 -23.792 0.007 1.556 1.00 0.00 C ATOM 1630 CG ASN B 30 -23.721 1.429 1.023 1.00 0.00 C ATOM 1631 OD1 ASN B 30 -24.634 1.908 0.350 1.00 0.00 O ATOM 1632 ND2 ASN B 30 -22.647 2.122 1.354 1.00 0.00 N ATOM 0 H ASN B 30 -24.713 -3.020 0.644 1.00 0.00 H new ATOM 0 HA ASN B 30 -25.644 -0.481 0.593 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -24.196 0.026 2.568 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -22.783 -0.399 1.623 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -22.552 3.091 1.051 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -21.912 1.688 1.913 1.00 0.00 H new ATOM 1639 N VAL B 31 -23.296 -2.203 -0.856 1.00 0.00 N ATOM 1640 CA VAL B 31 -22.638 -2.545 -2.114 1.00 0.00 C ATOM 1641 C VAL B 31 -21.371 -1.720 -2.293 1.00 0.00 C ATOM 1642 O VAL B 31 -21.385 -0.630 -2.866 1.00 0.00 O ATOM 1643 CB VAL B 31 -23.564 -2.384 -3.350 1.00 0.00 C ATOM 1644 CG1 VAL B 31 -22.835 -2.770 -4.631 1.00 0.00 C ATOM 1645 CG2 VAL B 31 -24.824 -3.223 -3.187 1.00 0.00 C ATOM 0 H VAL B 31 -23.164 -2.899 -0.122 1.00 0.00 H new ATOM 0 HA VAL B 31 -22.380 -3.602 -2.051 1.00 0.00 H new ATOM 0 HB VAL B 31 -23.850 -1.335 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -23.505 -2.648 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.963 -2.128 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -22.514 -3.810 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -25.461 -3.097 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -24.551 -4.273 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -25.364 -2.900 -2.297 1.00 0.00 H new ATOM 1655 N LEU B 32 -20.281 -2.245 -1.757 1.00 0.00 N ATOM 1656 CA LEU B 32 -18.981 -1.598 -1.850 1.00 0.00 C ATOM 1657 C LEU B 32 -18.030 -2.472 -2.652 1.00 0.00 C ATOM 1658 O LEU B 32 -16.810 -2.355 -2.535 1.00 0.00 O ATOM 1659 CB LEU B 32 -18.403 -1.347 -0.453 1.00 0.00 C ATOM 1660 CG LEU B 32 -19.244 -0.451 0.459 1.00 0.00 C ATOM 1661 CD1 LEU B 32 -18.580 -0.316 1.819 1.00 0.00 C ATOM 1662 CD2 LEU B 32 -19.444 0.919 -0.175 1.00 0.00 C ATOM 0 H LEU B 32 -20.271 -3.128 -1.247 1.00 0.00 H new ATOM 0 HA LEU B 32 -19.103 -0.638 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -18.263 -2.309 0.041 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -17.416 -0.898 -0.563 1.00 0.00 H new ATOM 0 HG LEU B 32 -20.223 -0.912 0.593 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -19.188 0.324 2.459 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -18.484 -1.301 2.276 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -17.591 0.126 1.699 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -20.044 1.542 0.488 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -18.474 1.390 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -19.957 0.806 -1.130 1.00 0.00 H new ATOM 1674 N SER B 33 -18.600 -3.344 -3.470 1.00 0.00 N ATOM 1675 CA SER B 33 -17.816 -4.269 -4.269 1.00 0.00 C ATOM 1676 C SER B 33 -17.869 -3.875 -5.742 1.00 0.00 C ATOM 1677 O SER B 33 -18.847 -4.158 -6.439 1.00 0.00 O ATOM 1678 CB SER B 33 -18.341 -5.699 -4.078 1.00 0.00 C ATOM 1679 OG SER B 33 -17.529 -6.650 -4.750 1.00 0.00 O ATOM 0 H SER B 33 -19.608 -3.429 -3.597 1.00 0.00 H new ATOM 0 HA SER B 33 -16.778 -4.228 -3.940 1.00 0.00 H new ATOM 0 HB2 SER B 33 -18.374 -5.936 -3.014 1.00 0.00 H new ATOM 0 HB3 SER B 33 -19.363 -5.764 -4.451 1.00 0.00 H new ATOM 0 HG SER B 33 -17.891 -7.549 -4.606 1.00 0.00 H new ATOM 1685 N PRO B 34 -16.832 -3.182 -6.228 1.00 0.00 N ATOM 1686 CA PRO B 34 -16.726 -2.801 -7.624 1.00 0.00 C ATOM 1687 C PRO B 34 -15.946 -3.828 -8.438 1.00 0.00 C ATOM 1688 O PRO B 34 -15.226 -4.663 -7.879 1.00 0.00 O ATOM 1689 CB PRO B 34 -15.958 -1.486 -7.543 1.00 0.00 C ATOM 1690 CG PRO B 34 -15.071 -1.626 -6.343 1.00 0.00 C ATOM 1691 CD PRO B 34 -15.681 -2.689 -5.454 1.00 0.00 C ATOM 0 HA PRO B 34 -17.694 -2.725 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -15.374 -1.314 -8.447 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -16.636 -0.639 -7.436 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -14.062 -1.908 -6.642 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -14.993 -0.678 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -14.971 -3.488 -5.242 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -15.992 -2.276 -4.494 1.00 0.00 H new ATOM 1699 N LEU B 35 -16.099 -3.779 -9.749 1.00 0.00 N ATOM 1700 CA LEU B 35 -15.320 -4.626 -10.631 1.00 0.00 C ATOM 1701 C LEU B 35 -14.136 -3.842 -11.179 1.00 0.00 C ATOM 1702 O LEU B 35 -14.314 -2.931 -11.990 1.00 0.00 O ATOM 1703 CB LEU B 35 -16.184 -5.145 -11.780 1.00 0.00 C ATOM 1704 CG LEU B 35 -15.485 -6.124 -12.725 1.00 0.00 C ATOM 1705 CD1 LEU B 35 -15.113 -7.402 -11.991 1.00 0.00 C ATOM 1706 CD2 LEU B 35 -16.370 -6.430 -13.921 1.00 0.00 C ATOM 0 H LEU B 35 -16.756 -3.161 -10.226 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.954 -5.482 -10.064 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -17.064 -5.634 -11.361 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -16.539 -4.294 -12.361 1.00 0.00 H new ATOM 0 HG LEU B 35 -14.568 -5.660 -13.087 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -14.617 -8.086 -12.680 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -14.440 -7.165 -11.167 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -16.015 -7.872 -11.599 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -15.858 -7.128 -14.583 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -17.304 -6.874 -13.578 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -16.584 -5.508 -14.461 1.00 0.00 H new ATOM 1718 N PRO B 36 -12.916 -4.169 -10.720 1.00 0.00 N ATOM 1719 CA PRO B 36 -11.696 -3.493 -11.168 1.00 0.00 C ATOM 1720 C PRO B 36 -11.381 -3.806 -12.627 1.00 0.00 C ATOM 1721 O PRO B 36 -11.199 -4.967 -13.000 1.00 0.00 O ATOM 1722 CB PRO B 36 -10.609 -4.057 -10.248 1.00 0.00 C ATOM 1723 CG PRO B 36 -11.137 -5.372 -9.791 1.00 0.00 C ATOM 1724 CD PRO B 36 -12.632 -5.225 -9.731 1.00 0.00 C ATOM 0 HA PRO B 36 -11.783 -2.408 -11.115 1.00 0.00 H new ATOM 0 HB2 PRO B 36 -9.664 -4.174 -10.779 1.00 0.00 H new ATOM 0 HB3 PRO B 36 -10.421 -3.392 -9.405 1.00 0.00 H new ATOM 0 HG2 PRO B 36 -10.851 -6.167 -10.480 1.00 0.00 H new ATOM 0 HG3 PRO B 36 -10.732 -5.636 -8.814 1.00 0.00 H new ATOM 0 HD2 PRO B 36 -13.137 -6.157 -9.984 1.00 0.00 H new ATOM 0 HD3 PRO B 36 -12.967 -4.941 -8.734 1.00 0.00 H new ATOM 1732 N SER B 37 -11.322 -2.773 -13.448 1.00 0.00 N ATOM 1733 CA SER B 37 -11.096 -2.948 -14.870 1.00 0.00 C ATOM 1734 C SER B 37 -9.606 -2.936 -15.198 1.00 0.00 C ATOM 1735 O SER B 37 -9.153 -3.654 -16.089 1.00 0.00 O ATOM 1736 CB SER B 37 -11.838 -1.860 -15.649 1.00 0.00 C ATOM 1737 OG SER B 37 -11.623 -0.584 -15.067 1.00 0.00 O ATOM 0 H SER B 37 -11.428 -1.802 -13.153 1.00 0.00 H new ATOM 0 HA SER B 37 -11.485 -3.922 -15.167 1.00 0.00 H new ATOM 0 HB2 SER B 37 -11.499 -1.853 -16.685 1.00 0.00 H new ATOM 0 HB3 SER B 37 -12.905 -2.082 -15.664 1.00 0.00 H new ATOM 0 HG SER B 37 -12.105 0.096 -15.582 1.00 0.00 H new ATOM 1743 N GLN B 38 -8.838 -2.138 -14.470 1.00 0.00 N ATOM 1744 CA GLN B 38 -7.419 -2.018 -14.746 1.00 0.00 C ATOM 1745 C GLN B 38 -6.577 -2.647 -13.640 1.00 0.00 C ATOM 1746 O GLN B 38 -5.969 -3.705 -13.835 1.00 0.00 O ATOM 1747 CB GLN B 38 -7.036 -0.549 -14.924 1.00 0.00 C ATOM 1748 CG GLN B 38 -5.607 -0.348 -15.405 1.00 0.00 C ATOM 1749 CD GLN B 38 -5.358 -0.976 -16.764 1.00 0.00 C ATOM 1750 OE1 GLN B 38 -6.260 -1.057 -17.599 1.00 0.00 O ATOM 1751 NE2 GLN B 38 -4.142 -1.440 -16.988 1.00 0.00 N ATOM 0 H GLN B 38 -9.172 -1.570 -13.691 1.00 0.00 H new ATOM 0 HA GLN B 38 -7.215 -2.558 -15.671 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -7.719 -0.088 -15.637 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -7.168 -0.030 -13.975 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -5.391 0.719 -15.456 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.918 -0.778 -14.678 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -3.423 -1.353 -16.270 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -3.922 -1.885 -17.879 1.00 0.00 H new ATOM 1760 N ALA B 39 -6.561 -2.017 -12.473 1.00 0.00 N ATOM 1761 CA ALA B 39 -5.647 -2.419 -11.417 1.00 0.00 C ATOM 1762 C ALA B 39 -6.357 -2.639 -10.088 1.00 0.00 C ATOM 1763 O ALA B 39 -7.558 -2.406 -9.957 1.00 0.00 O ATOM 1764 CB ALA B 39 -4.551 -1.375 -11.261 1.00 0.00 C ATOM 0 H ALA B 39 -7.167 -1.231 -12.236 1.00 0.00 H new ATOM 0 HA ALA B 39 -5.209 -3.374 -11.707 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -3.868 -1.680 -10.468 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -4.001 -1.282 -12.198 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -4.998 -0.414 -11.005 1.00 0.00 H new ATOM 1770 N MET B 40 -5.595 -3.106 -9.110 1.00 0.00 N ATOM 1771 CA MET B 40 -6.098 -3.314 -7.758 1.00 0.00 C ATOM 1772 C MET B 40 -5.416 -2.361 -6.784 1.00 0.00 C ATOM 1773 O MET B 40 -5.250 -2.679 -5.606 1.00 0.00 O ATOM 1774 CB MET B 40 -5.906 -4.770 -7.307 1.00 0.00 C ATOM 1775 CG MET B 40 -4.528 -5.358 -7.606 1.00 0.00 C ATOM 1776 SD MET B 40 -3.184 -4.564 -6.700 1.00 0.00 S ATOM 1777 CE MET B 40 -1.770 -5.424 -7.381 1.00 0.00 C ATOM 0 H MET B 40 -4.612 -3.351 -9.230 1.00 0.00 H new ATOM 0 HA MET B 40 -7.168 -3.105 -7.764 1.00 0.00 H new ATOM 0 HB2 MET B 40 -6.086 -4.830 -6.234 1.00 0.00 H new ATOM 0 HB3 MET B 40 -6.662 -5.388 -7.791 1.00 0.00 H new ATOM 0 HG2 MET B 40 -4.537 -6.421 -7.366 1.00 0.00 H new ATOM 0 HG3 MET B 40 -4.332 -5.275 -8.675 1.00 0.00 H new ATOM 0 HE1 MET B 40 -1.197 -5.879 -6.573 1.00 0.00 H new ATOM 0 HE2 MET B 40 -2.111 -6.200 -8.066 1.00 0.00 H new ATOM 0 HE3 MET B 40 -1.139 -4.717 -7.920 1.00 0.00 H new ATOM 1787 N ASP B 41 -5.040 -1.182 -7.288 1.00 0.00 N ATOM 1788 CA ASP B 41 -4.292 -0.181 -6.512 1.00 0.00 C ATOM 1789 C ASP B 41 -4.985 0.177 -5.196 1.00 0.00 C ATOM 1790 O ASP B 41 -4.390 0.814 -4.323 1.00 0.00 O ATOM 1791 CB ASP B 41 -4.076 1.092 -7.343 1.00 0.00 C ATOM 1792 CG ASP B 41 -5.361 1.850 -7.631 1.00 0.00 C ATOM 1793 OD1 ASP B 41 -5.784 2.659 -6.777 1.00 0.00 O1- ATOM 1794 OD2 ASP B 41 -5.938 1.648 -8.721 1.00 0.00 O ATOM 0 H ASP B 41 -5.244 -0.892 -8.244 1.00 0.00 H new ATOM 0 HA ASP B 41 -3.329 -0.630 -6.267 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -3.386 1.749 -6.814 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -3.601 0.825 -8.287 1.00 0.00 H new ATOM 1799 N ASP B 42 -6.236 -0.235 -5.065 1.00 0.00 N ATOM 1800 CA ASP B 42 -6.998 -0.027 -3.846 1.00 0.00 C ATOM 1801 C ASP B 42 -6.407 -0.808 -2.685 1.00 0.00 C ATOM 1802 O ASP B 42 -6.443 -0.351 -1.544 1.00 0.00 O ATOM 1803 CB ASP B 42 -8.450 -0.464 -4.041 1.00 0.00 C ATOM 1804 CG ASP B 42 -9.260 -0.313 -2.765 1.00 0.00 C ATOM 1805 OD1 ASP B 42 -9.681 0.822 -2.458 1.00 0.00 O1- ATOM 1806 OD2 ASP B 42 -9.458 -1.319 -2.047 1.00 0.00 O ATOM 0 H ASP B 42 -6.750 -0.722 -5.799 1.00 0.00 H new ATOM 0 HA ASP B 42 -6.957 1.038 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -8.905 0.130 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -8.476 -1.504 -4.367 1.00 0.00 H new ATOM 1811 N LEU B 43 -5.841 -1.972 -2.986 1.00 0.00 N ATOM 1812 CA LEU B 43 -5.470 -2.926 -1.946 1.00 0.00 C ATOM 1813 C LEU B 43 -4.412 -2.374 -0.996 1.00 0.00 C ATOM 1814 O LEU B 43 -4.733 -1.960 0.117 1.00 0.00 O ATOM 1815 CB LEU B 43 -4.956 -4.226 -2.584 1.00 0.00 C ATOM 1816 CG LEU B 43 -6.001 -5.320 -2.829 1.00 0.00 C ATOM 1817 CD1 LEU B 43 -6.465 -5.915 -1.509 1.00 0.00 C ATOM 1818 CD2 LEU B 43 -7.186 -4.781 -3.621 1.00 0.00 C ATOM 0 H LEU B 43 -5.630 -2.277 -3.936 1.00 0.00 H new ATOM 0 HA LEU B 43 -6.368 -3.123 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -4.490 -3.978 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -4.175 -4.636 -1.944 1.00 0.00 H new ATOM 0 HG LEU B 43 -5.534 -6.107 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -7.207 -6.690 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -5.613 -6.349 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -6.908 -5.133 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -7.911 -5.579 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -7.656 -3.969 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -6.840 -4.408 -4.585 1.00 0.00 H new ATOM 1830 N MET B 44 -3.158 -2.355 -1.424 1.00 0.00 N ATOM 1831 CA MET B 44 -2.090 -1.864 -0.563 1.00 0.00 C ATOM 1832 C MET B 44 -1.094 -0.989 -1.305 1.00 0.00 C ATOM 1833 O MET B 44 -1.088 0.230 -1.154 1.00 0.00 O ATOM 1834 CB MET B 44 -1.383 -3.035 0.107 1.00 0.00 C ATOM 1835 CG MET B 44 -2.176 -3.619 1.262 1.00 0.00 C ATOM 1836 SD MET B 44 -1.630 -5.264 1.757 1.00 0.00 S ATOM 1837 CE MET B 44 -2.157 -6.239 0.359 1.00 0.00 C ATOM 0 H MET B 44 -2.857 -2.668 -2.347 1.00 0.00 H new ATOM 0 HA MET B 44 -2.550 -1.234 0.198 1.00 0.00 H new ATOM 0 HB2 MET B 44 -1.200 -3.814 -0.633 1.00 0.00 H new ATOM 0 HB3 MET B 44 -0.410 -2.706 0.470 1.00 0.00 H new ATOM 0 HG2 MET B 44 -2.102 -2.948 2.118 1.00 0.00 H new ATOM 0 HG3 MET B 44 -3.229 -3.664 0.983 1.00 0.00 H new ATOM 0 HE1 MET B 44 -1.951 -7.292 0.552 1.00 0.00 H new ATOM 0 HE2 MET B 44 -3.227 -6.101 0.202 1.00 0.00 H new ATOM 0 HE3 MET B 44 -1.615 -5.921 -0.532 1.00 0.00 H new ATOM 1847 N LEU B 45 -0.264 -1.621 -2.123 1.00 0.00 N ATOM 1848 CA LEU B 45 0.775 -0.908 -2.849 1.00 0.00 C ATOM 1849 C LEU B 45 0.270 -0.577 -4.248 1.00 0.00 C ATOM 1850 O LEU B 45 0.279 -1.426 -5.137 1.00 0.00 O ATOM 1851 CB LEU B 45 2.083 -1.734 -2.907 1.00 0.00 C ATOM 1852 CG LEU B 45 2.635 -2.212 -1.546 1.00 0.00 C ATOM 1853 CD1 LEU B 45 4.049 -2.779 -1.672 1.00 0.00 C ATOM 1854 CD2 LEU B 45 2.623 -1.085 -0.536 1.00 0.00 C ATOM 0 H LEU B 45 -0.291 -2.625 -2.300 1.00 0.00 H new ATOM 0 HA LEU B 45 1.006 0.019 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU B 45 1.911 -2.608 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU B 45 2.849 -1.133 -3.398 1.00 0.00 H new ATOM 0 HG LEU B 45 1.980 -3.011 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.400 -3.104 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU B 45 4.041 -3.629 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU B 45 4.716 -2.009 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.016 -1.445 0.415 1.00 0.00 H new ATOM 0 HD22 LEU B 45 3.243 -0.265 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU B 45 1.601 -0.732 -0.396 1.00 0.00 H new ATOM 1866 N SER B 46 -0.215 0.650 -4.413 1.00 0.00 N ATOM 1867 CA SER B 46 -0.795 1.097 -5.674 1.00 0.00 C ATOM 1868 C SER B 46 0.246 1.095 -6.793 1.00 0.00 C ATOM 1869 O SER B 46 1.221 1.844 -6.735 1.00 0.00 O ATOM 1870 CB SER B 46 -1.373 2.502 -5.497 1.00 0.00 C ATOM 1871 OG SER B 46 -2.187 2.578 -4.332 1.00 0.00 O ATOM 0 H SER B 46 -0.217 1.359 -3.680 1.00 0.00 H new ATOM 0 HA SER B 46 -1.589 0.405 -5.955 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.561 3.226 -5.425 1.00 0.00 H new ATOM 0 HB3 SER B 46 -1.962 2.769 -6.374 1.00 0.00 H new ATOM 0 HG SER B 46 -2.926 1.939 -4.407 1.00 0.00 H new ATOM 1877 N PRO B 47 0.039 0.252 -7.828 1.00 0.00 N ATOM 1878 CA PRO B 47 0.982 0.083 -8.949 1.00 0.00 C ATOM 1879 C PRO B 47 1.471 1.400 -9.547 1.00 0.00 C ATOM 1880 O PRO B 47 2.649 1.534 -9.878 1.00 0.00 O ATOM 1881 CB PRO B 47 0.165 -0.693 -9.979 1.00 0.00 C ATOM 1882 CG PRO B 47 -0.808 -1.476 -9.174 1.00 0.00 C ATOM 1883 CD PRO B 47 -1.138 -0.627 -7.975 1.00 0.00 C ATOM 0 HA PRO B 47 1.894 -0.417 -8.622 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -0.343 -0.020 -10.670 1.00 0.00 H new ATOM 0 HB3 PRO B 47 0.800 -1.346 -10.578 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -1.704 -1.697 -9.753 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -0.382 -2.432 -8.869 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -2.050 -0.051 -8.132 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -1.295 -1.236 -7.085 1.00 0.00 H new ATOM 1891 N ASP B 48 0.568 2.367 -9.672 1.00 0.00 N ATOM 1892 CA ASP B 48 0.910 3.672 -10.241 1.00 0.00 C ATOM 1893 C ASP B 48 2.013 4.355 -9.434 1.00 0.00 C ATOM 1894 O ASP B 48 2.946 4.931 -9.997 1.00 0.00 O ATOM 1895 CB ASP B 48 -0.328 4.574 -10.290 1.00 0.00 C ATOM 1896 CG ASP B 48 -0.037 5.941 -10.888 1.00 0.00 C ATOM 1897 OD1 ASP B 48 -0.109 6.077 -12.129 1.00 0.00 O ATOM 1898 OD2 ASP B 48 0.253 6.885 -10.125 1.00 0.00 O1- ATOM 0 H ASP B 48 -0.407 2.275 -9.388 1.00 0.00 H new ATOM 0 HA ASP B 48 1.276 3.507 -11.254 1.00 0.00 H new ATOM 0 HB2 ASP B 48 -1.106 4.084 -10.876 1.00 0.00 H new ATOM 0 HB3 ASP B 48 -0.720 4.700 -9.281 1.00 0.00 H new ATOM 1903 N ASP B 49 1.916 4.247 -8.116 1.00 0.00 N ATOM 1904 CA ASP B 49 2.821 4.944 -7.206 1.00 0.00 C ATOM 1905 C ASP B 49 4.079 4.136 -6.948 1.00 0.00 C ATOM 1906 O ASP B 49 5.127 4.694 -6.624 1.00 0.00 O ATOM 1907 CB ASP B 49 2.124 5.202 -5.869 1.00 0.00 C ATOM 1908 CG ASP B 49 0.922 6.113 -5.993 1.00 0.00 C ATOM 1909 OD1 ASP B 49 1.106 7.348 -6.011 1.00 0.00 O1- ATOM 1910 OD2 ASP B 49 -0.214 5.601 -6.068 1.00 0.00 O ATOM 0 H ASP B 49 1.212 3.677 -7.647 1.00 0.00 H new ATOM 0 HA ASP B 49 3.097 5.887 -7.678 1.00 0.00 H new ATOM 0 HB2 ASP B 49 1.809 4.251 -5.441 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.837 5.644 -5.173 1.00 0.00 H new ATOM 1915 N ILE B 50 3.963 2.823 -7.108 1.00 0.00 N ATOM 1916 CA ILE B 50 4.995 1.881 -6.699 1.00 0.00 C ATOM 1917 C ILE B 50 6.408 2.281 -7.152 1.00 0.00 C ATOM 1918 O ILE B 50 7.341 2.233 -6.352 1.00 0.00 O ATOM 1919 CB ILE B 50 4.659 0.458 -7.201 1.00 0.00 C ATOM 1920 CG1 ILE B 50 3.517 -0.139 -6.375 1.00 0.00 C ATOM 1921 CG2 ILE B 50 5.874 -0.439 -7.146 1.00 0.00 C ATOM 1922 CD1 ILE B 50 3.220 -1.588 -6.697 1.00 0.00 C ATOM 0 H ILE B 50 3.145 2.381 -7.528 1.00 0.00 H new ATOM 0 HA ILE B 50 5.003 1.897 -5.609 1.00 0.00 H new ATOM 0 HB ILE B 50 4.341 0.531 -8.241 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.765 -0.056 -5.317 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.616 0.452 -6.539 1.00 0.00 H new ATOM 0 HG21 ILE B 50 5.609 -1.433 -7.505 1.00 0.00 H new ATOM 0 HG22 ILE B 50 6.661 -0.024 -7.776 1.00 0.00 H new ATOM 0 HG23 ILE B 50 6.230 -0.507 -6.118 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.399 -1.939 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.940 -1.677 -7.747 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.107 -2.192 -6.505 1.00 0.00 H new ATOM 1934 N GLU B 51 6.555 2.717 -8.403 1.00 0.00 N ATOM 1935 CA GLU B 51 7.878 2.978 -8.986 1.00 0.00 C ATOM 1936 C GLU B 51 8.693 4.029 -8.218 1.00 0.00 C ATOM 1937 O GLU B 51 9.905 4.132 -8.410 1.00 0.00 O ATOM 1938 CB GLU B 51 7.748 3.405 -10.451 1.00 0.00 C ATOM 1939 CG GLU B 51 7.618 2.244 -11.425 1.00 0.00 C ATOM 1940 CD GLU B 51 7.738 2.688 -12.871 1.00 0.00 C ATOM 1941 OE1 GLU B 51 8.715 3.395 -13.202 1.00 0.00 O1- ATOM 1942 OE2 GLU B 51 6.849 2.347 -13.684 1.00 0.00 O ATOM 0 H GLU B 51 5.776 2.898 -9.035 1.00 0.00 H new ATOM 0 HA GLU B 51 8.423 2.037 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.877 4.052 -10.554 1.00 0.00 H new ATOM 0 HB3 GLU B 51 8.620 3.999 -10.724 1.00 0.00 H new ATOM 0 HG2 GLU B 51 8.389 1.504 -11.209 1.00 0.00 H new ATOM 0 HG3 GLU B 51 6.656 1.754 -11.276 1.00 0.00 H new ATOM 1949 N GLN B 52 8.050 4.802 -7.353 1.00 0.00 N ATOM 1950 CA GLN B 52 8.759 5.847 -6.622 1.00 0.00 C ATOM 1951 C GLN B 52 9.425 5.299 -5.355 1.00 0.00 C ATOM 1952 O GLN B 52 10.440 5.831 -4.898 1.00 0.00 O ATOM 1953 CB GLN B 52 7.814 6.999 -6.266 1.00 0.00 C ATOM 1954 CG GLN B 52 8.499 8.126 -5.504 1.00 0.00 C ATOM 1955 CD GLN B 52 7.602 9.325 -5.277 1.00 0.00 C ATOM 1956 OE1 GLN B 52 7.571 10.250 -6.087 1.00 0.00 O ATOM 1957 NE2 GLN B 52 6.875 9.324 -4.172 1.00 0.00 N ATOM 0 H GLN B 52 7.055 4.729 -7.141 1.00 0.00 H new ATOM 0 HA GLN B 52 9.544 6.225 -7.277 1.00 0.00 H new ATOM 0 HB2 GLN B 52 7.380 7.400 -7.182 1.00 0.00 H new ATOM 0 HB3 GLN B 52 6.990 6.612 -5.666 1.00 0.00 H new ATOM 0 HG2 GLN B 52 8.841 7.749 -4.540 1.00 0.00 H new ATOM 0 HG3 GLN B 52 9.385 8.442 -6.055 1.00 0.00 H new ATOM 0 HE21 GLN B 52 6.930 8.537 -3.526 1.00 0.00 H new ATOM 0 HE22 GLN B 52 6.259 10.111 -3.966 1.00 0.00 H new ATOM 1966 N TRP B 53 8.868 4.229 -4.799 1.00 0.00 N ATOM 1967 CA TRP B 53 9.355 3.694 -3.529 1.00 0.00 C ATOM 1968 C TRP B 53 9.656 2.197 -3.616 1.00 0.00 C ATOM 1969 O TRP B 53 10.793 1.768 -3.414 1.00 0.00 O ATOM 1970 CB TRP B 53 8.353 3.981 -2.400 1.00 0.00 C ATOM 1971 CG TRP B 53 6.932 4.155 -2.858 1.00 0.00 C ATOM 1972 CD1 TRP B 53 6.377 5.291 -3.370 1.00 0.00 C ATOM 1973 CD2 TRP B 53 5.884 3.178 -2.830 1.00 0.00 C ATOM 1974 NE1 TRP B 53 5.058 5.080 -3.669 1.00 0.00 N ATOM 1975 CE2 TRP B 53 4.729 3.791 -3.344 1.00 0.00 C ATOM 1976 CE3 TRP B 53 5.811 1.844 -2.427 1.00 0.00 C ATOM 1977 CZ2 TRP B 53 3.516 3.118 -3.460 1.00 0.00 C ATOM 1978 CZ3 TRP B 53 4.609 1.176 -2.542 1.00 0.00 C ATOM 1979 CH2 TRP B 53 3.476 1.813 -3.056 1.00 0.00 C ATOM 0 H TRP B 53 8.084 3.716 -5.203 1.00 0.00 H new ATOM 0 HA TRP B 53 10.293 4.201 -3.302 1.00 0.00 H new ATOM 0 HB2 TRP B 53 8.392 3.164 -1.680 1.00 0.00 H new ATOM 0 HB3 TRP B 53 8.665 4.884 -1.875 1.00 0.00 H new ATOM 0 HD1 TRP B 53 6.903 6.223 -3.518 1.00 0.00 H new ATOM 0 HE1 TRP B 53 4.423 5.771 -4.069 1.00 0.00 H new ATOM 0 HE3 TRP B 53 6.682 1.342 -2.031 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 2.639 3.609 -3.855 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 4.543 0.144 -2.230 1.00 0.00 H new ATOM 0 HH2 TRP B 53 2.550 1.263 -3.136 1.00 0.00 H new ATOM 1990 N PHE B 54 8.638 1.412 -3.917 1.00 0.00 N ATOM 1991 CA PHE B 54 8.786 -0.029 -4.057 1.00 0.00 C ATOM 1992 C PHE B 54 9.379 -0.343 -5.429 1.00 0.00 C ATOM 1993 O PHE B 54 8.729 -0.194 -6.460 1.00 0.00 O ATOM 1994 CB PHE B 54 7.409 -0.691 -3.814 1.00 0.00 C ATOM 1995 CG PHE B 54 7.199 -2.103 -4.325 1.00 0.00 C ATOM 1996 CD1 PHE B 54 8.253 -2.911 -4.734 1.00 0.00 C ATOM 1997 CD2 PHE B 54 5.906 -2.609 -4.416 1.00 0.00 C ATOM 1998 CE1 PHE B 54 8.025 -4.178 -5.230 1.00 0.00 C ATOM 1999 CE2 PHE B 54 5.676 -3.877 -4.904 1.00 0.00 C ATOM 2000 CZ PHE B 54 6.738 -4.660 -5.318 1.00 0.00 C ATOM 0 H PHE B 54 7.688 1.751 -4.071 1.00 0.00 H new ATOM 0 HA PHE B 54 9.477 -0.437 -3.319 1.00 0.00 H new ATOM 0 HB2 PHE B 54 7.224 -0.694 -2.740 1.00 0.00 H new ATOM 0 HB3 PHE B 54 6.648 -0.055 -4.267 1.00 0.00 H new ATOM 0 HD1 PHE B 54 9.265 -2.542 -4.663 1.00 0.00 H new ATOM 0 HD2 PHE B 54 5.072 -2.000 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE B 54 8.855 -4.791 -5.549 1.00 0.00 H new ATOM 0 HE2 PHE B 54 4.667 -4.259 -4.963 1.00 0.00 H new ATOM 0 HZ PHE B 54 6.558 -5.650 -5.711 1.00 0.00 H new ATOM 2010 N THR B 55 10.632 -0.750 -5.433 1.00 0.00 N ATOM 2011 CA THR B 55 11.316 -1.072 -6.666 1.00 0.00 C ATOM 2012 C THR B 55 11.852 -2.499 -6.636 1.00 0.00 C ATOM 2013 O THR B 55 12.666 -2.851 -5.783 1.00 0.00 O ATOM 2014 CB THR B 55 12.459 -0.074 -6.936 1.00 0.00 C ATOM 2015 OG1 THR B 55 13.195 0.172 -5.729 1.00 0.00 O ATOM 2016 CG2 THR B 55 11.908 1.238 -7.471 1.00 0.00 C ATOM 0 H THR B 55 11.198 -0.866 -4.592 1.00 0.00 H new ATOM 0 HA THR B 55 10.593 -0.995 -7.478 1.00 0.00 H new ATOM 0 HB THR B 55 13.123 -0.509 -7.683 1.00 0.00 H new ATOM 0 HG1 THR B 55 13.357 -0.676 -5.266 1.00 0.00 H new ATOM 0 HG21 THR B 55 12.730 1.930 -7.655 1.00 0.00 H new ATOM 0 HG22 THR B 55 11.372 1.055 -8.402 1.00 0.00 H new ATOM 0 HG23 THR B 55 11.226 1.672 -6.739 1.00 0.00 H new ATOM 2024 N GLU B 56 11.363 -3.330 -7.548 1.00 0.00 N ATOM 2025 CA GLU B 56 11.854 -4.692 -7.654 1.00 0.00 C ATOM 2026 C GLU B 56 13.002 -4.749 -8.652 1.00 0.00 C ATOM 2027 O GLU B 56 13.019 -4.011 -9.640 1.00 0.00 O ATOM 2028 CB GLU B 56 10.743 -5.662 -8.074 1.00 0.00 C ATOM 2029 CG GLU B 56 10.207 -5.428 -9.480 1.00 0.00 C ATOM 2030 CD GLU B 56 9.522 -6.655 -10.048 1.00 0.00 C ATOM 2031 OE1 GLU B 56 10.225 -7.651 -10.325 1.00 0.00 O1- ATOM 2032 OE2 GLU B 56 8.285 -6.630 -10.224 1.00 0.00 O ATOM 0 H GLU B 56 10.634 -3.085 -8.218 1.00 0.00 H new ATOM 0 HA GLU B 56 12.208 -5.000 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU B 56 11.122 -6.682 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU B 56 9.919 -5.581 -7.365 1.00 0.00 H new ATOM 0 HG2 GLU B 56 9.502 -4.597 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU B 56 11.028 -5.137 -10.135 1.00 0.00 H new ATOM 2039 N ASP B 57 13.968 -5.609 -8.383 1.00 0.00 N ATOM 2040 CA ASP B 57 15.105 -5.773 -9.271 1.00 0.00 C ATOM 2041 C ASP B 57 15.444 -7.252 -9.399 1.00 0.00 C ATOM 2042 O ASP B 57 15.279 -8.012 -8.445 1.00 0.00 O ATOM 2043 CB ASP B 57 16.313 -4.978 -8.758 1.00 0.00 C ATOM 2044 CG ASP B 57 17.054 -5.658 -7.622 1.00 0.00 C ATOM 2045 OD1 ASP B 57 16.510 -5.732 -6.501 1.00 0.00 O ATOM 2046 OD2 ASP B 57 18.199 -6.101 -7.848 1.00 0.00 O1- ATOM 0 H ASP B 57 13.988 -6.205 -7.556 1.00 0.00 H new ATOM 0 HA ASP B 57 14.846 -5.384 -10.256 1.00 0.00 H new ATOM 0 HB2 ASP B 57 17.005 -4.813 -9.584 1.00 0.00 H new ATOM 0 HB3 ASP B 57 15.976 -3.997 -8.424 1.00 0.00 H new ATOM 2051 N PRO B 58 15.893 -7.681 -10.589 1.00 0.00 N ATOM 2052 CA PRO B 58 16.204 -9.078 -10.869 1.00 0.00 C ATOM 2053 C PRO B 58 17.660 -9.440 -10.580 1.00 0.00 C ATOM 2054 O PRO B 58 18.204 -10.379 -11.169 1.00 0.00 O ATOM 2055 CB PRO B 58 15.915 -9.172 -12.364 1.00 0.00 C ATOM 2056 CG PRO B 58 16.265 -7.826 -12.910 1.00 0.00 C ATOM 2057 CD PRO B 58 16.111 -6.835 -11.777 1.00 0.00 C ATOM 0 HA PRO B 58 15.631 -9.765 -10.246 1.00 0.00 H new ATOM 0 HB2 PRO B 58 16.511 -9.955 -12.833 1.00 0.00 H new ATOM 0 HB3 PRO B 58 14.868 -9.413 -12.549 1.00 0.00 H new ATOM 0 HG2 PRO B 58 17.286 -7.819 -13.293 1.00 0.00 H new ATOM 0 HG3 PRO B 58 15.611 -7.565 -13.742 1.00 0.00 H new ATOM 0 HD2 PRO B 58 17.000 -6.214 -11.667 1.00 0.00 H new ATOM 0 HD3 PRO B 58 15.271 -6.162 -11.947 1.00 0.00 H new ATOM 2065 N GLY B 59 18.282 -8.702 -9.674 1.00 0.00 N ATOM 2066 CA GLY B 59 19.660 -8.969 -9.318 1.00 0.00 C ATOM 2067 C GLY B 59 20.624 -8.057 -10.041 1.00 0.00 C ATOM 2068 O GLY B 59 20.716 -8.097 -11.269 1.00 0.00 O ATOM 0 H GLY B 59 17.856 -7.920 -9.177 1.00 0.00 H new ATOM 0 HA2 GLY B 59 19.785 -8.848 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY B 59 19.899 -10.006 -9.552 1.00 0.00 H new ATOM 2072 N PRO B 60 21.352 -7.217 -9.300 1.00 0.00 N ATOM 2073 CA PRO B 60 22.305 -6.274 -9.858 1.00 0.00 C ATOM 2074 C PRO B 60 23.696 -6.884 -9.995 1.00 0.00 C ATOM 2075 O PRO B 60 24.529 -6.686 -9.084 1.00 0.00 O ATOM 2076 CB PRO B 60 22.310 -5.133 -8.829 1.00 0.00 C ATOM 2077 CG PRO B 60 21.599 -5.655 -7.611 1.00 0.00 C ATOM 2078 CD PRO B 60 21.309 -7.114 -7.847 1.00 0.00 C ATOM 0 HA PRO B 60 22.035 -5.954 -10.864 1.00 0.00 H new ATOM 0 HB2 PRO B 60 23.330 -4.835 -8.585 1.00 0.00 H new ATOM 0 HB3 PRO B 60 21.806 -4.251 -9.225 1.00 0.00 H new ATOM 0 HG2 PRO B 60 22.216 -5.526 -6.722 1.00 0.00 H new ATOM 0 HG3 PRO B 60 20.675 -5.103 -7.441 1.00 0.00 H new ATOM 0 HD2 PRO B 60 22.051 -7.756 -7.373 1.00 0.00 H new ATOM 0 HD3 PRO B 60 20.336 -7.403 -7.449 1.00 0.00 H new TER 2086 PRO B 60