USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 704 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 19 TYR OH : rot -130:sc= 2.21 USER MOD Set 1.2: A 45 SER OG : rot 180:sc= 1.15 USER MOD Set 1.3: A 49 SER OG : rot -43:sc= 0.454 USER MOD Set 2.1: A 10 LYS NZ :NH3+ -161:sc= 0.0401 (180deg=-1.52) USER MOD Set 2.2: A 81 TYR OH : rot 180:sc= 1.49 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0.00236 USER MOD Set 3.2: A 3 HIS : no HD1:sc= 0 X(o=0.0024,f=0.0024) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0.354 (180deg=0.313) USER MOD Single : A 4 MET CE :methyl 160:sc= -0.17 (180deg=-0.658) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0.0993 (180deg=-0.0499) USER MOD Single : A 15 LYS NZ :NH3+ -157:sc= 0.49 (180deg=0.206) USER MOD Single : A 16 MET CE :methyl 161:sc= -2.14! (180deg=-3.53!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -151:sc= 1.33 USER MOD Single : A 24 GLN : amide:sc= -0.234 K(o=-0.23,f=-0.78) USER MOD Single : A 25 THR OG1 : rot 82:sc= 0.691 USER MOD Single : A 30 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.21) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= -0.0282 (180deg=-0.174) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= -0.0746 (180deg=-0.497) USER MOD Single : A 34 HIS : no HE2:sc= 0.92 K(o=0.92,f=-2.8!) USER MOD Single : A 38 SER OG : rot 78:sc= 0.882 USER MOD Single : A 40 ASN : amide:sc= -0.685 K(o=-0.68,f=-7.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000491) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -81:sc= 1.07 USER MOD Single : A 55 MET CE :methyl -178:sc= -1.13 (180deg=-1.15) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -173:sc= -1.56 (180deg=-1.64) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.08) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0677) USER MOD Single : A 80 THR OG1 : rot -41:sc= 0.632 USER MOD Single : A 85 LYS NZ :NH3+ -173:sc= -0.0088 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.888 18.372 23.681 1.00 71.32 N ATOM 2 CA GLY A 1 0.510 18.782 24.016 1.00 25.12 C ATOM 3 C GLY A 1 -0.155 19.543 22.889 1.00 72.31 C ATOM 4 O GLY A 1 -0.812 18.948 22.032 1.00 71.20 O ATOM 0 H1 GLY A 1 2.247 17.728 24.415 1.00 71.32 H new ATOM 0 H2 GLY A 1 1.892 17.886 22.762 1.00 71.32 H new ATOM 0 H3 GLY A 1 2.498 19.213 23.630 1.00 71.32 H new ATOM 0 HA2 GLY A 1 -0.082 17.898 24.253 1.00 25.12 H new ATOM 0 HA3 GLY A 1 0.526 19.404 24.911 1.00 25.12 H new ATOM 10 N SER A 2 0.018 20.851 22.877 1.00 41.11 N ATOM 11 CA SER A 2 -0.583 21.687 21.858 1.00 52.14 C ATOM 12 C SER A 2 0.408 21.986 20.737 1.00 14.11 C ATOM 13 O SER A 2 1.597 21.669 20.846 1.00 50.53 O ATOM 14 CB SER A 2 -1.096 22.987 22.483 1.00 40.55 C ATOM 15 OG SER A 2 -0.100 23.596 23.288 1.00 62.34 O ATOM 0 H SER A 2 0.573 21.359 23.566 1.00 41.11 H new ATOM 0 HA SER A 2 -1.424 21.147 21.423 1.00 52.14 H new ATOM 0 HB2 SER A 2 -1.403 23.676 21.696 1.00 40.55 H new ATOM 0 HB3 SER A 2 -1.979 22.780 23.087 1.00 40.55 H new ATOM 0 HG SER A 2 -0.453 24.425 23.674 1.00 62.34 H new ATOM 21 N HIS A 3 -0.098 22.586 19.651 1.00 33.00 N ATOM 22 CA HIS A 3 0.722 22.968 18.492 1.00 4.11 C ATOM 23 C HIS A 3 1.315 21.749 17.799 1.00 32.15 C ATOM 24 O HIS A 3 2.347 21.837 17.141 1.00 21.33 O ATOM 25 CB HIS A 3 1.838 23.944 18.896 1.00 62.41 C ATOM 26 CG HIS A 3 1.338 25.268 19.378 1.00 65.31 C ATOM 27 ND1 HIS A 3 1.113 26.335 18.547 1.00 13.24 N ATOM 28 CD2 HIS A 3 1.017 25.690 20.620 1.00 44.10 C ATOM 29 CE1 HIS A 3 0.681 27.357 19.250 1.00 33.55 C ATOM 30 NE2 HIS A 3 0.610 26.994 20.513 1.00 2.12 N ATOM 0 H HIS A 3 -1.086 22.820 19.551 1.00 33.00 H new ATOM 0 HA HIS A 3 0.061 23.472 17.786 1.00 4.11 H new ATOM 0 HB2 HIS A 3 2.441 23.487 19.680 1.00 62.41 H new ATOM 0 HB3 HIS A 3 2.495 24.104 18.041 1.00 62.41 H new ATOM 0 HD2 HIS A 3 1.071 25.108 21.528 1.00 44.10 H new ATOM 0 HE1 HIS A 3 0.427 28.331 18.858 1.00 33.55 H new ATOM 0 HE2 HIS A 3 0.303 27.586 21.285 1.00 2.12 H new ATOM 39 N MET A 4 0.652 20.619 17.938 1.00 41.00 N ATOM 40 CA MET A 4 1.108 19.395 17.303 1.00 75.42 C ATOM 41 C MET A 4 0.419 19.223 15.962 1.00 2.12 C ATOM 42 O MET A 4 0.969 18.628 15.031 1.00 33.21 O ATOM 43 CB MET A 4 0.848 18.192 18.207 1.00 42.42 C ATOM 44 CG MET A 4 1.579 18.271 19.539 1.00 33.14 C ATOM 45 SD MET A 4 1.307 16.826 20.582 1.00 64.34 S ATOM 46 CE MET A 4 2.031 15.539 19.569 1.00 71.53 C ATOM 0 H MET A 4 -0.204 20.521 18.484 1.00 41.00 H new ATOM 0 HA MET A 4 2.183 19.462 17.136 1.00 75.42 H new ATOM 0 HB2 MET A 4 -0.223 18.110 18.393 1.00 42.42 H new ATOM 0 HB3 MET A 4 1.152 17.283 17.687 1.00 42.42 H new ATOM 0 HG2 MET A 4 2.647 18.382 19.354 1.00 33.14 H new ATOM 0 HG3 MET A 4 1.253 19.164 20.073 1.00 33.14 H new ATOM 0 HE1 MET A 4 2.266 14.675 20.191 1.00 71.53 H new ATOM 0 HE2 MET A 4 1.324 15.246 18.793 1.00 71.53 H new ATOM 0 HE3 MET A 4 2.944 15.912 19.105 1.00 71.53 H new ATOM 56 N GLY A 5 -0.785 19.758 15.869 1.00 45.42 N ATOM 57 CA GLY A 5 -1.520 19.727 14.633 1.00 21.20 C ATOM 58 C GLY A 5 -1.353 21.027 13.887 1.00 3.23 C ATOM 59 O GLY A 5 -2.238 21.886 13.909 1.00 4.12 O ATOM 0 H GLY A 5 -1.269 20.218 16.640 1.00 45.42 H new ATOM 0 HA2 GLY A 5 -1.171 18.899 14.016 1.00 21.20 H new ATOM 0 HA3 GLY A 5 -2.576 19.550 14.835 1.00 21.20 H new ATOM 63 N LYS A 6 -0.213 21.178 13.235 1.00 43.15 N ATOM 64 CA LYS A 6 0.117 22.409 12.526 1.00 23.30 C ATOM 65 C LYS A 6 -0.355 22.353 11.077 1.00 13.01 C ATOM 66 O LYS A 6 -0.067 23.251 10.279 1.00 13.42 O ATOM 67 CB LYS A 6 1.628 22.656 12.582 1.00 51.42 C ATOM 68 CG LYS A 6 2.197 22.646 13.996 1.00 41.44 C ATOM 69 CD LYS A 6 3.707 22.849 14.008 1.00 34.32 C ATOM 70 CE LYS A 6 4.093 24.258 13.590 1.00 62.35 C ATOM 71 NZ LYS A 6 5.560 24.473 13.663 1.00 73.41 N ATOM 0 H LYS A 6 0.507 20.458 13.180 1.00 43.15 H new ATOM 0 HA LYS A 6 -0.400 23.234 13.016 1.00 23.30 H new ATOM 0 HB2 LYS A 6 2.134 21.893 11.990 1.00 51.42 H new ATOM 0 HB3 LYS A 6 1.848 23.617 12.118 1.00 51.42 H new ATOM 0 HG2 LYS A 6 1.721 23.432 14.583 1.00 41.44 H new ATOM 0 HG3 LYS A 6 1.955 21.698 14.477 1.00 41.44 H new ATOM 0 HD2 LYS A 6 4.092 22.649 15.008 1.00 34.32 H new ATOM 0 HD3 LYS A 6 4.175 22.130 13.336 1.00 34.32 H new ATOM 0 HE2 LYS A 6 3.749 24.442 12.572 1.00 62.35 H new ATOM 0 HE3 LYS A 6 3.588 24.979 14.233 1.00 62.35 H new ATOM 0 HZ1 LYS A 6 5.783 25.446 13.370 1.00 73.41 H new ATOM 0 HZ2 LYS A 6 5.885 24.322 14.639 1.00 73.41 H new ATOM 0 HZ3 LYS A 6 6.041 23.802 13.031 1.00 73.41 H new ATOM 85 N GLY A 7 -1.087 21.309 10.745 1.00 64.23 N ATOM 86 CA GLY A 7 -1.573 21.153 9.402 1.00 11.13 C ATOM 87 C GLY A 7 -0.700 20.224 8.608 1.00 24.52 C ATOM 88 O GLY A 7 0.160 20.666 7.843 1.00 41.02 O ATOM 0 H GLY A 7 -1.354 20.563 11.388 1.00 64.23 H new ATOM 0 HA2 GLY A 7 -2.592 20.767 9.425 1.00 11.13 H new ATOM 0 HA3 GLY A 7 -1.612 22.126 8.912 1.00 11.13 H new ATOM 92 N ASP A 8 -0.895 18.937 8.809 1.00 35.10 N ATOM 93 CA ASP A 8 -0.123 17.928 8.107 1.00 51.44 C ATOM 94 C ASP A 8 -0.439 17.962 6.623 1.00 53.30 C ATOM 95 O ASP A 8 -1.609 17.995 6.235 1.00 35.52 O ATOM 96 CB ASP A 8 -0.389 16.530 8.685 1.00 2.14 C ATOM 97 CG ASP A 8 0.253 16.331 10.043 1.00 33.34 C ATOM 98 OD1 ASP A 8 1.439 15.941 10.092 1.00 10.44 O ATOM 99 OD2 ASP A 8 -0.418 16.570 11.075 1.00 73.41 O ATOM 0 H ASP A 8 -1.587 18.561 9.458 1.00 35.10 H new ATOM 0 HA ASP A 8 0.935 18.151 8.244 1.00 51.44 H new ATOM 0 HB2 ASP A 8 -1.464 16.374 8.769 1.00 2.14 H new ATOM 0 HB3 ASP A 8 -0.010 15.777 7.994 1.00 2.14 H new ATOM 104 N PRO A 9 0.606 17.984 5.774 1.00 72.50 N ATOM 105 CA PRO A 9 0.453 18.038 4.317 1.00 73.41 C ATOM 106 C PRO A 9 -0.498 16.974 3.782 1.00 65.21 C ATOM 107 O PRO A 9 -0.462 15.818 4.207 1.00 32.01 O ATOM 108 CB PRO A 9 1.869 17.773 3.801 1.00 63.44 C ATOM 109 CG PRO A 9 2.759 18.243 4.891 1.00 70.12 C ATOM 110 CD PRO A 9 2.029 17.966 6.175 1.00 30.10 C ATOM 0 HA PRO A 9 0.028 18.989 3.997 1.00 73.41 H new ATOM 0 HB2 PRO A 9 2.023 16.714 3.592 1.00 63.44 H new ATOM 0 HB3 PRO A 9 2.060 18.312 2.873 1.00 63.44 H new ATOM 0 HG2 PRO A 9 3.715 17.720 4.866 1.00 70.12 H new ATOM 0 HG3 PRO A 9 2.974 19.306 4.787 1.00 70.12 H new ATOM 0 HD2 PRO A 9 2.314 17.003 6.599 1.00 30.10 H new ATOM 0 HD3 PRO A 9 2.243 18.723 6.930 1.00 30.10 H new ATOM 118 N LYS A 10 -1.336 17.374 2.839 1.00 71.10 N ATOM 119 CA LYS A 10 -2.280 16.462 2.208 1.00 3.52 C ATOM 120 C LYS A 10 -1.634 15.796 0.999 1.00 33.43 C ATOM 121 O LYS A 10 -2.285 15.090 0.229 1.00 21.04 O ATOM 122 CB LYS A 10 -3.570 17.196 1.800 1.00 65.13 C ATOM 123 CG LYS A 10 -4.555 17.427 2.950 1.00 24.22 C ATOM 124 CD LYS A 10 -4.043 18.435 3.980 1.00 20.43 C ATOM 125 CE LYS A 10 -4.428 19.873 3.629 1.00 2.11 C ATOM 126 NZ LYS A 10 -3.801 20.350 2.369 1.00 53.03 N ATOM 0 H LYS A 10 -1.382 18.332 2.491 1.00 71.10 H new ATOM 0 HA LYS A 10 -2.550 15.692 2.931 1.00 3.52 H new ATOM 0 HB2 LYS A 10 -3.304 18.160 1.366 1.00 65.13 H new ATOM 0 HB3 LYS A 10 -4.069 16.622 1.019 1.00 65.13 H new ATOM 0 HG2 LYS A 10 -5.503 17.780 2.544 1.00 24.22 H new ATOM 0 HG3 LYS A 10 -4.755 16.478 3.447 1.00 24.22 H new ATOM 0 HD2 LYS A 10 -4.445 18.183 4.962 1.00 20.43 H new ATOM 0 HD3 LYS A 10 -2.958 18.359 4.051 1.00 20.43 H new ATOM 0 HE2 LYS A 10 -5.512 19.941 3.538 1.00 2.11 H new ATOM 0 HE3 LYS A 10 -4.135 20.532 4.446 1.00 2.11 H new ATOM 0 HZ1 LYS A 10 -3.823 21.389 2.342 1.00 53.03 H new ATOM 0 HZ2 LYS A 10 -2.815 20.023 2.327 1.00 53.03 H new ATOM 0 HZ3 LYS A 10 -4.326 19.972 1.555 1.00 53.03 H new ATOM 140 N LYS A 11 -0.343 16.027 0.857 1.00 61.41 N ATOM 141 CA LYS A 11 0.446 15.454 -0.216 1.00 35.32 C ATOM 142 C LYS A 11 0.632 13.957 0.008 1.00 1.31 C ATOM 143 O LYS A 11 0.726 13.508 1.160 1.00 23.42 O ATOM 144 CB LYS A 11 1.826 16.140 -0.266 1.00 34.31 C ATOM 145 CG LYS A 11 2.812 15.485 -1.220 1.00 71.10 C ATOM 146 CD LYS A 11 4.205 16.068 -1.083 1.00 2.13 C ATOM 147 CE LYS A 11 5.212 15.273 -1.899 1.00 24.32 C ATOM 148 NZ LYS A 11 5.286 13.853 -1.458 1.00 12.55 N ATOM 0 H LYS A 11 0.192 16.623 1.489 1.00 61.41 H new ATOM 0 HA LYS A 11 -0.076 15.610 -1.160 1.00 35.32 H new ATOM 0 HB2 LYS A 11 1.691 17.181 -0.558 1.00 34.31 H new ATOM 0 HB3 LYS A 11 2.254 16.143 0.736 1.00 34.31 H new ATOM 0 HG2 LYS A 11 2.847 14.413 -1.026 1.00 71.10 H new ATOM 0 HG3 LYS A 11 2.464 15.613 -2.245 1.00 71.10 H new ATOM 0 HD2 LYS A 11 4.202 17.107 -1.414 1.00 2.13 H new ATOM 0 HD3 LYS A 11 4.501 16.069 -0.034 1.00 2.13 H new ATOM 0 HE2 LYS A 11 4.937 15.312 -2.953 1.00 24.32 H new ATOM 0 HE3 LYS A 11 6.196 15.733 -1.809 1.00 24.32 H new ATOM 0 HZ1 LYS A 11 6.095 13.389 -1.917 1.00 12.55 H new ATOM 0 HZ2 LYS A 11 5.406 13.816 -0.426 1.00 12.55 H new ATOM 0 HZ3 LYS A 11 4.409 13.361 -1.723 1.00 12.55 H new ATOM 162 N PRO A 12 0.641 13.157 -1.080 1.00 72.40 N ATOM 163 CA PRO A 12 0.936 11.731 -0.993 1.00 50.44 C ATOM 164 C PRO A 12 2.241 11.504 -0.238 1.00 64.42 C ATOM 165 O PRO A 12 3.304 11.976 -0.659 1.00 31.21 O ATOM 166 CB PRO A 12 1.092 11.319 -2.457 1.00 44.43 C ATOM 167 CG PRO A 12 0.241 12.276 -3.207 1.00 34.12 C ATOM 168 CD PRO A 12 0.323 13.576 -2.461 1.00 43.14 C ATOM 0 HA PRO A 12 0.170 11.164 -0.464 1.00 50.44 H new ATOM 0 HB2 PRO A 12 2.132 11.378 -2.777 1.00 44.43 H new ATOM 0 HB3 PRO A 12 0.768 10.291 -2.616 1.00 44.43 H new ATOM 0 HG2 PRO A 12 0.594 12.391 -4.232 1.00 34.12 H new ATOM 0 HG3 PRO A 12 -0.789 11.922 -3.262 1.00 34.12 H new ATOM 0 HD2 PRO A 12 1.095 14.227 -2.871 1.00 43.14 H new ATOM 0 HD3 PRO A 12 -0.617 14.127 -2.508 1.00 43.14 H new ATOM 176 N ARG A 13 2.158 10.806 0.875 1.00 40.04 N ATOM 177 CA ARG A 13 3.325 10.577 1.712 1.00 21.14 C ATOM 178 C ARG A 13 3.834 9.153 1.571 1.00 5.13 C ATOM 179 O ARG A 13 4.936 8.829 2.012 1.00 51.32 O ATOM 180 CB ARG A 13 2.996 10.905 3.171 1.00 40.15 C ATOM 181 CG ARG A 13 1.882 10.061 3.764 1.00 74.51 C ATOM 182 CD ARG A 13 0.935 10.905 4.603 1.00 23.02 C ATOM 183 NE ARG A 13 0.169 11.854 3.780 1.00 65.04 N ATOM 184 CZ ARG A 13 -1.029 12.348 4.113 1.00 31.14 C ATOM 185 NH1 ARG A 13 -1.580 12.042 5.281 1.00 41.52 N ATOM 186 NH2 ARG A 13 -1.668 13.158 3.278 1.00 51.54 N ATOM 0 H ARG A 13 1.297 10.386 1.224 1.00 40.04 H new ATOM 0 HA ARG A 13 4.124 11.240 1.379 1.00 21.14 H new ATOM 0 HB2 ARG A 13 3.895 10.774 3.773 1.00 40.15 H new ATOM 0 HB3 ARG A 13 2.716 11.956 3.241 1.00 40.15 H new ATOM 0 HG2 ARG A 13 1.326 9.575 2.963 1.00 74.51 H new ATOM 0 HG3 ARG A 13 2.311 9.270 4.380 1.00 74.51 H new ATOM 0 HD2 ARG A 13 0.247 10.253 5.140 1.00 23.02 H new ATOM 0 HD3 ARG A 13 1.505 11.453 5.353 1.00 23.02 H new ATOM 0 HE ARG A 13 0.579 12.156 2.896 1.00 65.04 H new ATOM 0 HH11 ARG A 13 -1.090 11.427 5.931 1.00 41.52 H new ATOM 0 HH12 ARG A 13 -2.494 12.422 5.529 1.00 41.52 H new ATOM 0 HH21 ARG A 13 -1.246 13.404 2.383 1.00 51.54 H new ATOM 0 HH22 ARG A 13 -2.581 13.535 3.532 1.00 51.54 H new ATOM 200 N GLY A 14 3.028 8.308 0.964 1.00 51.34 N ATOM 201 CA GLY A 14 3.466 6.960 0.750 1.00 31.04 C ATOM 202 C GLY A 14 2.376 6.000 0.354 1.00 22.42 C ATOM 203 O GLY A 14 1.491 5.683 1.147 1.00 71.43 O ATOM 0 H GLY A 14 2.093 8.528 0.621 1.00 51.34 H new ATOM 0 HA2 GLY A 14 4.231 6.960 -0.026 1.00 31.04 H new ATOM 0 HA3 GLY A 14 3.938 6.596 1.663 1.00 31.04 H new ATOM 207 N LYS A 15 2.435 5.553 -0.888 1.00 31.13 N ATOM 208 CA LYS A 15 1.562 4.494 -1.367 1.00 14.34 C ATOM 209 C LYS A 15 2.141 3.190 -0.860 1.00 12.23 C ATOM 210 O LYS A 15 3.287 3.177 -0.388 1.00 70.24 O ATOM 211 CB LYS A 15 1.523 4.500 -2.895 1.00 10.12 C ATOM 212 CG LYS A 15 2.903 4.462 -3.529 1.00 2.24 C ATOM 213 CD LYS A 15 3.110 3.210 -4.355 1.00 14.41 C ATOM 214 CE LYS A 15 4.510 3.163 -4.927 1.00 44.20 C ATOM 215 NZ LYS A 15 4.714 1.988 -5.798 1.00 5.43 N ATOM 0 H LYS A 15 3.084 5.910 -1.589 1.00 31.13 H new ATOM 0 HA LYS A 15 0.541 4.631 -1.010 1.00 14.34 H new ATOM 0 HB2 LYS A 15 0.948 3.641 -3.241 1.00 10.12 H new ATOM 0 HB3 LYS A 15 0.998 5.393 -3.235 1.00 10.12 H new ATOM 0 HG2 LYS A 15 3.037 5.340 -4.161 1.00 2.24 H new ATOM 0 HG3 LYS A 15 3.663 4.512 -2.749 1.00 2.24 H new ATOM 0 HD2 LYS A 15 2.936 2.329 -3.737 1.00 14.41 H new ATOM 0 HD3 LYS A 15 2.381 3.180 -5.165 1.00 14.41 H new ATOM 0 HE2 LYS A 15 4.700 4.073 -5.496 1.00 44.20 H new ATOM 0 HE3 LYS A 15 5.234 3.140 -4.112 1.00 44.20 H new ATOM 0 HZ1 LYS A 15 5.729 1.768 -5.853 1.00 5.43 H new ATOM 0 HZ2 LYS A 15 4.204 1.172 -5.405 1.00 5.43 H new ATOM 0 HZ3 LYS A 15 4.353 2.195 -6.751 1.00 5.43 H new ATOM 229 N MET A 16 1.414 2.085 -0.934 1.00 24.40 N ATOM 230 CA MET A 16 1.893 0.824 -0.423 1.00 74.24 C ATOM 231 C MET A 16 2.949 0.238 -1.377 1.00 21.42 C ATOM 232 O MET A 16 2.883 0.439 -2.590 1.00 53.30 O ATOM 233 CB MET A 16 0.705 -0.126 -0.249 1.00 44.33 C ATOM 234 CG MET A 16 -0.261 0.311 0.849 1.00 23.24 C ATOM 235 SD MET A 16 -1.912 -0.427 0.707 1.00 13.43 S ATOM 236 CE MET A 16 -1.547 -2.176 0.795 1.00 4.42 C ATOM 0 H MET A 16 0.483 2.044 -1.348 1.00 24.40 H new ATOM 0 HA MET A 16 2.369 0.967 0.547 1.00 74.24 H new ATOM 0 HB2 MET A 16 0.164 -0.197 -1.193 1.00 44.33 H new ATOM 0 HB3 MET A 16 1.077 -1.124 -0.020 1.00 44.33 H new ATOM 0 HG2 MET A 16 0.162 0.048 1.818 1.00 23.24 H new ATOM 0 HG3 MET A 16 -0.355 1.397 0.826 1.00 23.24 H new ATOM 0 HE1 MET A 16 -2.452 -2.724 1.058 1.00 4.42 H new ATOM 0 HE2 MET A 16 -1.182 -2.521 -0.173 1.00 4.42 H new ATOM 0 HE3 MET A 16 -0.784 -2.351 1.554 1.00 4.42 H new ATOM 246 N SER A 17 3.922 -0.465 -0.813 1.00 35.43 N ATOM 247 CA SER A 17 5.064 -0.985 -1.573 1.00 60.51 C ATOM 248 C SER A 17 4.742 -2.309 -2.293 1.00 75.43 C ATOM 249 O SER A 17 3.582 -2.700 -2.400 1.00 32.45 O ATOM 250 CB SER A 17 6.239 -1.168 -0.619 1.00 5.55 C ATOM 251 OG SER A 17 6.422 -0.003 0.173 1.00 75.31 O ATOM 0 H SER A 17 3.947 -0.693 0.181 1.00 35.43 H new ATOM 0 HA SER A 17 5.314 -0.265 -2.353 1.00 60.51 H new ATOM 0 HB2 SER A 17 6.061 -2.029 0.025 1.00 5.55 H new ATOM 0 HB3 SER A 17 7.146 -1.376 -1.186 1.00 5.55 H new ATOM 0 HG SER A 17 7.179 -0.137 0.781 1.00 75.31 H new ATOM 257 N SER A 18 5.789 -3.015 -2.732 1.00 75.01 N ATOM 258 CA SER A 18 5.646 -4.256 -3.492 1.00 43.52 C ATOM 259 C SER A 18 5.084 -5.378 -2.647 1.00 43.14 C ATOM 260 O SER A 18 4.183 -6.098 -3.083 1.00 62.12 O ATOM 261 CB SER A 18 6.989 -4.664 -4.077 1.00 1.05 C ATOM 262 OG SER A 18 7.548 -3.608 -4.835 1.00 23.31 O ATOM 0 H SER A 18 6.758 -2.741 -2.569 1.00 75.01 H new ATOM 0 HA SER A 18 4.937 -4.068 -4.299 1.00 43.52 H new ATOM 0 HB2 SER A 18 7.671 -4.942 -3.274 1.00 1.05 H new ATOM 0 HB3 SER A 18 6.864 -5.544 -4.708 1.00 1.05 H new ATOM 0 HG SER A 18 8.114 -3.978 -5.544 1.00 23.31 H new ATOM 268 N TYR A 19 5.615 -5.538 -1.441 1.00 14.35 N ATOM 269 CA TYR A 19 5.120 -6.558 -0.538 1.00 62.35 C ATOM 270 C TYR A 19 3.638 -6.345 -0.271 1.00 10.32 C ATOM 271 O TYR A 19 2.876 -7.294 -0.129 1.00 44.34 O ATOM 272 CB TYR A 19 5.905 -6.552 0.779 1.00 33.42 C ATOM 273 CG TYR A 19 5.246 -7.376 1.852 1.00 1.14 C ATOM 274 CD1 TYR A 19 5.119 -8.749 1.714 1.00 55.13 C ATOM 275 CD2 TYR A 19 4.723 -6.780 2.990 1.00 11.41 C ATOM 276 CE1 TYR A 19 4.489 -9.502 2.671 1.00 60.04 C ATOM 277 CE2 TYR A 19 4.096 -7.529 3.957 1.00 61.11 C ATOM 278 CZ TYR A 19 3.979 -8.891 3.789 1.00 22.31 C ATOM 279 OH TYR A 19 3.341 -9.640 4.733 1.00 12.13 O ATOM 0 H TYR A 19 6.383 -4.977 -1.072 1.00 14.35 H new ATOM 0 HA TYR A 19 5.259 -7.531 -1.010 1.00 62.35 H new ATOM 0 HB2 TYR A 19 6.910 -6.933 0.600 1.00 33.42 H new ATOM 0 HB3 TYR A 19 6.011 -5.525 1.129 1.00 33.42 H new ATOM 0 HD1 TYR A 19 5.523 -9.234 0.838 1.00 55.13 H new ATOM 0 HD2 TYR A 19 4.810 -5.711 3.118 1.00 11.41 H new ATOM 0 HE1 TYR A 19 4.395 -10.571 2.546 1.00 60.04 H new ATOM 0 HE2 TYR A 19 3.698 -7.053 4.841 1.00 61.11 H new ATOM 0 HH TYR A 19 2.479 -9.227 4.951 1.00 12.13 H new ATOM 289 N ALA A 20 3.242 -5.094 -0.218 1.00 71.04 N ATOM 290 CA ALA A 20 1.862 -4.741 0.007 1.00 43.23 C ATOM 291 C ALA A 20 0.965 -5.269 -1.115 1.00 4.13 C ATOM 292 O ALA A 20 -0.143 -5.737 -0.860 1.00 3.44 O ATOM 293 CB ALA A 20 1.729 -3.252 0.154 1.00 13.51 C ATOM 0 H ALA A 20 3.867 -4.295 -0.329 1.00 71.04 H new ATOM 0 HA ALA A 20 1.532 -5.211 0.933 1.00 43.23 H new ATOM 0 HB1 ALA A 20 0.683 -2.995 0.324 1.00 13.51 H new ATOM 0 HB2 ALA A 20 2.327 -2.915 1.001 1.00 13.51 H new ATOM 0 HB3 ALA A 20 2.080 -2.764 -0.755 1.00 13.51 H new ATOM 299 N PHE A 21 1.456 -5.204 -2.356 1.00 23.43 N ATOM 300 CA PHE A 21 0.717 -5.751 -3.500 1.00 23.13 C ATOM 301 C PHE A 21 0.597 -7.268 -3.380 1.00 44.34 C ATOM 302 O PHE A 21 -0.315 -7.888 -3.937 1.00 14.24 O ATOM 303 CB PHE A 21 1.381 -5.368 -4.829 1.00 52.30 C ATOM 304 CG PHE A 21 1.123 -3.946 -5.244 1.00 63.15 C ATOM 305 CD1 PHE A 21 1.967 -2.928 -4.849 1.00 53.33 C ATOM 306 CD2 PHE A 21 0.026 -3.632 -6.028 1.00 41.01 C ATOM 307 CE1 PHE A 21 1.726 -1.622 -5.225 1.00 61.24 C ATOM 308 CE2 PHE A 21 -0.222 -2.329 -6.407 1.00 51.41 C ATOM 309 CZ PHE A 21 0.630 -1.322 -6.004 1.00 10.31 C ATOM 0 H PHE A 21 2.354 -4.782 -2.594 1.00 23.43 H new ATOM 0 HA PHE A 21 -0.283 -5.318 -3.490 1.00 23.13 H new ATOM 0 HB2 PHE A 21 2.457 -5.524 -4.746 1.00 52.30 H new ATOM 0 HB3 PHE A 21 1.021 -6.037 -5.611 1.00 52.30 H new ATOM 0 HD1 PHE A 21 2.827 -3.156 -4.238 1.00 53.33 H new ATOM 0 HD2 PHE A 21 -0.644 -4.417 -6.347 1.00 41.01 H new ATOM 0 HE1 PHE A 21 2.396 -0.836 -4.909 1.00 61.24 H new ATOM 0 HE2 PHE A 21 -1.082 -2.098 -7.018 1.00 51.41 H new ATOM 0 HZ PHE A 21 0.438 -0.301 -6.298 1.00 10.31 H new ATOM 319 N PHE A 22 1.516 -7.857 -2.648 1.00 64.55 N ATOM 320 CA PHE A 22 1.479 -9.275 -2.384 1.00 42.21 C ATOM 321 C PHE A 22 0.409 -9.569 -1.342 1.00 30.42 C ATOM 322 O PHE A 22 -0.345 -10.521 -1.476 1.00 21.22 O ATOM 323 CB PHE A 22 2.852 -9.765 -1.911 1.00 62.44 C ATOM 324 CG PHE A 22 2.904 -11.227 -1.565 1.00 70.24 C ATOM 325 CD1 PHE A 22 2.675 -12.189 -2.531 1.00 22.33 C ATOM 326 CD2 PHE A 22 3.193 -11.635 -0.274 1.00 51.02 C ATOM 327 CE1 PHE A 22 2.732 -13.530 -2.217 1.00 72.31 C ATOM 328 CE2 PHE A 22 3.250 -12.975 0.044 1.00 43.22 C ATOM 329 CZ PHE A 22 3.020 -13.924 -0.929 1.00 1.31 C ATOM 0 H PHE A 22 2.304 -7.369 -2.222 1.00 64.55 H new ATOM 0 HA PHE A 22 1.231 -9.808 -3.302 1.00 42.21 H new ATOM 0 HB2 PHE A 22 3.585 -9.563 -2.692 1.00 62.44 H new ATOM 0 HB3 PHE A 22 3.149 -9.186 -1.036 1.00 62.44 H new ATOM 0 HD1 PHE A 22 2.449 -11.887 -3.543 1.00 22.33 H new ATOM 0 HD2 PHE A 22 3.376 -10.896 0.492 1.00 51.02 H new ATOM 0 HE1 PHE A 22 2.551 -14.272 -2.981 1.00 72.31 H new ATOM 0 HE2 PHE A 22 3.475 -13.281 1.055 1.00 43.22 H new ATOM 0 HZ PHE A 22 3.066 -14.974 -0.682 1.00 1.31 H new ATOM 339 N VAL A 23 0.336 -8.719 -0.320 1.00 13.14 N ATOM 340 CA VAL A 23 -0.649 -8.864 0.755 1.00 30.54 C ATOM 341 C VAL A 23 -2.081 -8.726 0.230 1.00 64.41 C ATOM 342 O VAL A 23 -3.000 -9.378 0.734 1.00 61.40 O ATOM 343 CB VAL A 23 -0.429 -7.815 1.871 1.00 70.31 C ATOM 344 CG1 VAL A 23 -1.370 -8.060 3.043 1.00 13.42 C ATOM 345 CG2 VAL A 23 1.010 -7.825 2.336 1.00 40.20 C ATOM 0 H VAL A 23 0.953 -7.914 -0.212 1.00 13.14 H new ATOM 0 HA VAL A 23 -0.510 -9.864 1.165 1.00 30.54 H new ATOM 0 HB VAL A 23 -0.652 -6.832 1.457 1.00 70.31 H new ATOM 0 HG11 VAL A 23 -1.195 -7.309 3.813 1.00 13.42 H new ATOM 0 HG12 VAL A 23 -2.403 -7.994 2.700 1.00 13.42 H new ATOM 0 HG13 VAL A 23 -1.187 -9.052 3.455 1.00 13.42 H new ATOM 0 HG21 VAL A 23 1.144 -7.080 3.121 1.00 40.20 H new ATOM 0 HG22 VAL A 23 1.260 -8.812 2.726 1.00 40.20 H new ATOM 0 HG23 VAL A 23 1.665 -7.590 1.497 1.00 40.20 H new ATOM 355 N GLN A 24 -2.255 -7.929 -0.820 1.00 64.10 N ATOM 356 CA GLN A 24 -3.596 -7.694 -1.350 1.00 3.40 C ATOM 357 C GLN A 24 -4.024 -8.880 -2.199 1.00 20.31 C ATOM 358 O GLN A 24 -5.209 -9.113 -2.419 1.00 63.35 O ATOM 359 CB GLN A 24 -3.675 -6.382 -2.153 1.00 60.20 C ATOM 360 CG GLN A 24 -2.861 -6.376 -3.432 1.00 64.51 C ATOM 361 CD GLN A 24 -2.947 -5.059 -4.183 1.00 60.03 C ATOM 362 OE1 GLN A 24 -3.127 -3.992 -3.586 1.00 72.51 O ATOM 363 NE2 GLN A 24 -2.817 -5.122 -5.493 1.00 64.12 N ATOM 0 H GLN A 24 -1.504 -7.444 -1.312 1.00 64.10 H new ATOM 0 HA GLN A 24 -4.282 -7.589 -0.509 1.00 3.40 H new ATOM 0 HB2 GLN A 24 -4.718 -6.185 -2.401 1.00 60.20 H new ATOM 0 HB3 GLN A 24 -3.337 -5.562 -1.519 1.00 60.20 H new ATOM 0 HG2 GLN A 24 -1.818 -6.585 -3.194 1.00 64.51 H new ATOM 0 HG3 GLN A 24 -3.207 -7.181 -4.080 1.00 64.51 H new ATOM 0 HE21 GLN A 24 -2.670 -6.023 -5.948 1.00 64.12 H new ATOM 0 HE22 GLN A 24 -2.864 -4.270 -6.052 1.00 64.12 H new ATOM 372 N THR A 25 -3.042 -9.634 -2.660 1.00 22.51 N ATOM 373 CA THR A 25 -3.293 -10.831 -3.424 1.00 21.22 C ATOM 374 C THR A 25 -3.401 -12.024 -2.470 1.00 22.10 C ATOM 375 O THR A 25 -4.435 -12.677 -2.400 1.00 73.54 O ATOM 376 CB THR A 25 -2.168 -11.075 -4.456 1.00 5.44 C ATOM 377 OG1 THR A 25 -1.982 -9.890 -5.257 1.00 50.21 O ATOM 378 CG2 THR A 25 -2.513 -12.246 -5.368 1.00 64.14 C ATOM 0 H THR A 25 -2.053 -9.430 -2.513 1.00 22.51 H new ATOM 0 HA THR A 25 -4.229 -10.711 -3.970 1.00 21.22 H new ATOM 0 HB THR A 25 -1.251 -11.309 -3.915 1.00 5.44 H new ATOM 0 HG1 THR A 25 -1.419 -9.252 -4.771 1.00 50.21 H new ATOM 0 HG21 THR A 25 -1.707 -12.398 -6.085 1.00 64.14 H new ATOM 0 HG22 THR A 25 -2.641 -13.148 -4.769 1.00 64.14 H new ATOM 0 HG23 THR A 25 -3.438 -12.031 -5.902 1.00 64.14 H new ATOM 386 N CYS A 26 -2.304 -12.314 -1.784 1.00 11.21 N ATOM 387 CA CYS A 26 -2.225 -13.348 -0.738 1.00 41.33 C ATOM 388 C CYS A 26 -3.515 -13.442 0.114 1.00 72.11 C ATOM 389 O CYS A 26 -4.072 -14.531 0.291 1.00 64.13 O ATOM 390 CB CYS A 26 -1.001 -13.041 0.156 1.00 44.04 C ATOM 391 SG CYS A 26 -0.697 -14.203 1.528 1.00 0.24 S ATOM 0 H CYS A 26 -1.419 -11.831 -1.936 1.00 11.21 H new ATOM 0 HA CYS A 26 -2.115 -14.319 -1.221 1.00 41.33 H new ATOM 0 HB2 CYS A 26 -0.113 -13.016 -0.475 1.00 44.04 H new ATOM 0 HB3 CYS A 26 -1.123 -12.042 0.574 1.00 44.04 H new ATOM 396 N ARG A 27 -3.984 -12.313 0.643 1.00 40.10 N ATOM 397 CA ARG A 27 -5.200 -12.312 1.468 1.00 74.24 C ATOM 398 C ARG A 27 -6.459 -12.494 0.646 1.00 24.51 C ATOM 399 O ARG A 27 -7.440 -13.071 1.125 1.00 1.14 O ATOM 400 CB ARG A 27 -5.274 -11.065 2.342 1.00 71.25 C ATOM 401 CG ARG A 27 -4.720 -11.304 3.730 1.00 21.01 C ATOM 402 CD ARG A 27 -3.374 -12.005 3.663 1.00 51.15 C ATOM 403 NE ARG A 27 -3.187 -12.948 4.764 1.00 71.30 N ATOM 404 CZ ARG A 27 -3.165 -14.288 4.638 1.00 64.40 C ATOM 405 NH1 ARG A 27 -3.340 -14.858 3.449 1.00 42.23 N ATOM 406 NH2 ARG A 27 -2.967 -15.047 5.710 1.00 33.31 N ATOM 0 H ARG A 27 -3.551 -11.398 0.520 1.00 40.10 H new ATOM 0 HA ARG A 27 -5.135 -13.178 2.127 1.00 74.24 H new ATOM 0 HB2 ARG A 27 -4.719 -10.257 1.866 1.00 71.25 H new ATOM 0 HB3 ARG A 27 -6.311 -10.738 2.418 1.00 71.25 H new ATOM 0 HG2 ARG A 27 -4.614 -10.353 4.252 1.00 21.01 H new ATOM 0 HG3 ARG A 27 -5.421 -11.908 4.307 1.00 21.01 H new ATOM 0 HD2 ARG A 27 -3.289 -12.535 2.714 1.00 51.15 H new ATOM 0 HD3 ARG A 27 -2.577 -11.261 3.685 1.00 51.15 H new ATOM 0 HE ARG A 27 -3.064 -12.561 5.700 1.00 71.30 H new ATOM 0 HH11 ARG A 27 -3.492 -14.279 2.623 1.00 42.23 H new ATOM 0 HH12 ARG A 27 -3.322 -15.874 3.363 1.00 42.23 H new ATOM 0 HH21 ARG A 27 -2.832 -14.614 6.624 1.00 33.31 H new ATOM 0 HH22 ARG A 27 -2.950 -16.063 5.619 1.00 33.31 H new ATOM 420 N GLU A 28 -6.427 -12.025 -0.583 1.00 72.31 N ATOM 421 CA GLU A 28 -7.537 -12.201 -1.500 1.00 61.33 C ATOM 422 C GLU A 28 -7.780 -13.689 -1.722 1.00 2.20 C ATOM 423 O GLU A 28 -8.922 -14.148 -1.741 1.00 52.13 O ATOM 424 CB GLU A 28 -7.223 -11.520 -2.831 1.00 24.35 C ATOM 425 CG GLU A 28 -8.261 -11.736 -3.912 1.00 35.52 C ATOM 426 CD GLU A 28 -7.802 -11.207 -5.248 1.00 63.24 C ATOM 427 OE1 GLU A 28 -7.974 -9.999 -5.502 1.00 43.30 O ATOM 428 OE2 GLU A 28 -7.257 -11.996 -6.047 1.00 40.05 O ATOM 0 H GLU A 28 -5.636 -11.513 -0.975 1.00 72.31 H new ATOM 0 HA GLU A 28 -8.433 -11.749 -1.075 1.00 61.33 H new ATOM 0 HB2 GLU A 28 -7.115 -10.449 -2.659 1.00 24.35 H new ATOM 0 HB3 GLU A 28 -6.261 -11.884 -3.192 1.00 24.35 H new ATOM 0 HG2 GLU A 28 -8.478 -12.801 -3.999 1.00 35.52 H new ATOM 0 HG3 GLU A 28 -9.190 -11.243 -3.626 1.00 35.52 H new ATOM 435 N GLU A 29 -6.681 -14.443 -1.842 1.00 1.24 N ATOM 436 CA GLU A 29 -6.746 -15.881 -2.069 1.00 10.13 C ATOM 437 C GLU A 29 -7.472 -16.560 -0.917 1.00 62.34 C ATOM 438 O GLU A 29 -8.282 -17.466 -1.118 1.00 1.42 O ATOM 439 CB GLU A 29 -5.335 -16.464 -2.181 1.00 30.14 C ATOM 440 CG GLU A 29 -4.462 -15.796 -3.228 1.00 73.31 C ATOM 441 CD GLU A 29 -3.072 -16.382 -3.278 1.00 45.21 C ATOM 442 OE1 GLU A 29 -2.871 -17.372 -4.003 1.00 61.43 O ATOM 443 OE2 GLU A 29 -2.174 -15.865 -2.583 1.00 41.24 O ATOM 0 H GLU A 29 -5.732 -14.072 -1.784 1.00 1.24 H new ATOM 0 HA GLU A 29 -7.287 -16.058 -2.998 1.00 10.13 H new ATOM 0 HB2 GLU A 29 -4.844 -16.384 -1.211 1.00 30.14 H new ATOM 0 HB3 GLU A 29 -5.411 -17.526 -2.413 1.00 30.14 H new ATOM 0 HG2 GLU A 29 -4.931 -15.897 -4.207 1.00 73.31 H new ATOM 0 HG3 GLU A 29 -4.396 -14.729 -3.015 1.00 73.31 H new ATOM 450 N HIS A 30 -7.174 -16.107 0.294 1.00 44.12 N ATOM 451 CA HIS A 30 -7.774 -16.669 1.490 1.00 32.44 C ATOM 452 C HIS A 30 -9.259 -16.330 1.576 1.00 11.01 C ATOM 453 O HIS A 30 -10.049 -17.146 2.016 1.00 63.33 O ATOM 454 CB HIS A 30 -7.037 -16.185 2.744 1.00 70.04 C ATOM 455 CG HIS A 30 -7.441 -16.902 4.002 1.00 50.12 C ATOM 456 ND1 HIS A 30 -6.831 -18.056 4.435 1.00 32.32 N ATOM 457 CD2 HIS A 30 -8.395 -16.618 4.921 1.00 11.32 C ATOM 458 CE1 HIS A 30 -7.387 -18.450 5.562 1.00 42.42 C ATOM 459 NE2 HIS A 30 -8.339 -17.595 5.881 1.00 23.41 N ATOM 0 H HIS A 30 -6.516 -15.348 0.471 1.00 44.12 H new ATOM 0 HA HIS A 30 -7.681 -17.753 1.431 1.00 32.44 H new ATOM 0 HB2 HIS A 30 -5.965 -16.310 2.594 1.00 70.04 H new ATOM 0 HB3 HIS A 30 -7.219 -15.118 2.871 1.00 70.04 H new ATOM 0 HD2 HIS A 30 -9.074 -15.778 4.901 1.00 11.32 H new ATOM 0 HE1 HIS A 30 -7.110 -19.326 6.130 1.00 42.42 H new ATOM 0 HE2 HIS A 30 -8.936 -17.651 6.706 1.00 23.41 H new ATOM 468 N LYS A 31 -9.632 -15.127 1.156 1.00 40.42 N ATOM 469 CA LYS A 31 -11.040 -14.706 1.182 1.00 72.45 C ATOM 470 C LYS A 31 -11.865 -15.482 0.153 1.00 32.41 C ATOM 471 O LYS A 31 -13.037 -15.779 0.373 1.00 41.03 O ATOM 472 CB LYS A 31 -11.160 -13.198 0.918 1.00 65.30 C ATOM 473 CG LYS A 31 -11.489 -12.369 2.153 1.00 53.15 C ATOM 474 CD LYS A 31 -12.874 -12.708 2.691 1.00 64.04 C ATOM 475 CE LYS A 31 -13.240 -11.853 3.895 1.00 54.22 C ATOM 476 NZ LYS A 31 -13.324 -10.411 3.555 1.00 23.12 N ATOM 0 H LYS A 31 -8.988 -14.424 0.794 1.00 40.42 H new ATOM 0 HA LYS A 31 -11.433 -14.923 2.175 1.00 72.45 H new ATOM 0 HB2 LYS A 31 -10.222 -12.840 0.494 1.00 65.30 H new ATOM 0 HB3 LYS A 31 -11.933 -13.033 0.168 1.00 65.30 H new ATOM 0 HG2 LYS A 31 -10.742 -12.550 2.925 1.00 53.15 H new ATOM 0 HG3 LYS A 31 -11.442 -11.308 1.906 1.00 53.15 H new ATOM 0 HD2 LYS A 31 -13.614 -12.563 1.904 1.00 64.04 H new ATOM 0 HD3 LYS A 31 -12.907 -13.761 2.970 1.00 64.04 H new ATOM 0 HE2 LYS A 31 -14.197 -12.186 4.297 1.00 54.22 H new ATOM 0 HE3 LYS A 31 -12.497 -11.997 4.680 1.00 54.22 H new ATOM 0 HZ1 LYS A 31 -13.768 -9.894 4.341 1.00 23.12 H new ATOM 0 HZ2 LYS A 31 -12.368 -10.037 3.391 1.00 23.12 H new ATOM 0 HZ3 LYS A 31 -13.895 -10.290 2.694 1.00 23.12 H new ATOM 490 N LYS A 32 -11.236 -15.789 -0.956 1.00 64.54 N ATOM 491 CA LYS A 32 -11.909 -16.531 -2.024 1.00 42.53 C ATOM 492 C LYS A 32 -12.320 -17.935 -1.563 1.00 2.11 C ATOM 493 O LYS A 32 -13.323 -18.481 -2.023 1.00 61.43 O ATOM 494 CB LYS A 32 -11.038 -16.604 -3.279 1.00 11.45 C ATOM 495 CG LYS A 32 -10.734 -15.247 -3.930 1.00 35.41 C ATOM 496 CD LYS A 32 -12.004 -14.497 -4.348 1.00 21.12 C ATOM 497 CE LYS A 32 -12.521 -13.577 -3.243 1.00 53.30 C ATOM 498 NZ LYS A 32 -13.804 -12.930 -3.614 1.00 70.11 N ATOM 0 H LYS A 32 -10.266 -15.544 -1.153 1.00 64.54 H new ATOM 0 HA LYS A 32 -12.819 -15.985 -2.274 1.00 42.53 H new ATOM 0 HB2 LYS A 32 -10.095 -17.088 -3.023 1.00 11.45 H new ATOM 0 HB3 LYS A 32 -11.534 -17.240 -4.012 1.00 11.45 H new ATOM 0 HG2 LYS A 32 -10.166 -14.632 -3.232 1.00 35.41 H new ATOM 0 HG3 LYS A 32 -10.103 -15.401 -4.805 1.00 35.41 H new ATOM 0 HD2 LYS A 32 -11.799 -13.908 -5.242 1.00 21.12 H new ATOM 0 HD3 LYS A 32 -12.779 -15.217 -4.611 1.00 21.12 H new ATOM 0 HE2 LYS A 32 -12.656 -14.151 -2.327 1.00 53.30 H new ATOM 0 HE3 LYS A 32 -11.776 -12.810 -3.031 1.00 53.30 H new ATOM 0 HZ1 LYS A 32 -14.120 -12.315 -2.837 1.00 70.11 H new ATOM 0 HZ2 LYS A 32 -13.670 -12.361 -4.474 1.00 70.11 H new ATOM 0 HZ3 LYS A 32 -14.523 -13.661 -3.791 1.00 70.11 H new ATOM 512 N LYS A 33 -11.551 -18.504 -0.653 1.00 42.20 N ATOM 513 CA LYS A 33 -11.868 -19.830 -0.126 1.00 30.11 C ATOM 514 C LYS A 33 -12.474 -19.754 1.271 1.00 70.23 C ATOM 515 O LYS A 33 -13.094 -20.705 1.741 1.00 23.01 O ATOM 516 CB LYS A 33 -10.634 -20.722 -0.118 1.00 72.01 C ATOM 517 CG LYS A 33 -10.125 -21.090 -1.502 1.00 71.44 C ATOM 518 CD LYS A 33 -11.187 -21.830 -2.306 1.00 15.34 C ATOM 519 CE LYS A 33 -10.627 -22.359 -3.616 1.00 21.42 C ATOM 520 NZ LYS A 33 -9.498 -23.298 -3.397 1.00 11.43 N ATOM 0 H LYS A 33 -10.710 -18.079 -0.263 1.00 42.20 H new ATOM 0 HA LYS A 33 -12.613 -20.269 -0.790 1.00 30.11 H new ATOM 0 HB2 LYS A 33 -9.837 -20.217 0.428 1.00 72.01 H new ATOM 0 HB3 LYS A 33 -10.864 -21.637 0.428 1.00 72.01 H new ATOM 0 HG2 LYS A 33 -9.827 -20.186 -2.034 1.00 71.44 H new ATOM 0 HG3 LYS A 33 -9.236 -21.713 -1.410 1.00 71.44 H new ATOM 0 HD2 LYS A 33 -11.580 -22.658 -1.716 1.00 15.34 H new ATOM 0 HD3 LYS A 33 -12.022 -21.160 -2.510 1.00 15.34 H new ATOM 0 HE2 LYS A 33 -11.417 -22.865 -4.171 1.00 21.42 H new ATOM 0 HE3 LYS A 33 -10.291 -21.524 -4.230 1.00 21.42 H new ATOM 0 HZ1 LYS A 33 -9.366 -23.885 -4.245 1.00 11.43 H new ATOM 0 HZ2 LYS A 33 -8.629 -22.758 -3.210 1.00 11.43 H new ATOM 0 HZ3 LYS A 33 -9.708 -23.909 -2.582 1.00 11.43 H new ATOM 534 N HIS A 34 -12.289 -18.633 1.933 1.00 62.32 N ATOM 535 CA HIS A 34 -12.827 -18.431 3.268 1.00 40.11 C ATOM 536 C HIS A 34 -13.325 -17.013 3.449 1.00 72.25 C ATOM 537 O HIS A 34 -12.548 -16.105 3.751 1.00 10.35 O ATOM 538 CB HIS A 34 -11.792 -18.762 4.351 1.00 25.31 C ATOM 539 CG HIS A 34 -11.751 -20.208 4.716 1.00 31.22 C ATOM 540 ND1 HIS A 34 -12.573 -20.757 5.670 1.00 41.32 N ATOM 541 CD2 HIS A 34 -10.993 -21.222 4.246 1.00 31.10 C ATOM 542 CE1 HIS A 34 -12.323 -22.047 5.771 1.00 63.12 C ATOM 543 NE2 HIS A 34 -11.369 -22.356 4.917 1.00 53.34 N ATOM 0 H HIS A 34 -11.765 -17.838 1.567 1.00 62.32 H new ATOM 0 HA HIS A 34 -13.668 -19.115 3.377 1.00 40.11 H new ATOM 0 HB2 HIS A 34 -10.805 -18.455 4.004 1.00 25.31 H new ATOM 0 HB3 HIS A 34 -12.013 -18.177 5.244 1.00 25.31 H new ATOM 0 HD1 HIS A 34 -13.268 -20.246 6.215 1.00 41.32 H new ATOM 0 HD2 HIS A 34 -10.232 -21.152 3.483 1.00 31.10 H new ATOM 0 HE1 HIS A 34 -12.817 -22.735 6.441 1.00 63.12 H new ATOM 552 N PRO A 35 -14.630 -16.798 3.251 1.00 65.24 N ATOM 553 CA PRO A 35 -15.239 -15.487 3.425 1.00 3.10 C ATOM 554 C PRO A 35 -15.395 -15.136 4.901 1.00 62.34 C ATOM 555 O PRO A 35 -15.647 -13.985 5.258 1.00 75.40 O ATOM 556 CB PRO A 35 -16.609 -15.642 2.762 1.00 35.03 C ATOM 557 CG PRO A 35 -16.930 -17.091 2.891 1.00 73.40 C ATOM 558 CD PRO A 35 -15.615 -17.819 2.830 1.00 3.22 C ATOM 0 HA PRO A 35 -14.638 -14.686 2.994 1.00 3.10 H new ATOM 0 HB2 PRO A 35 -17.360 -15.025 3.255 1.00 35.03 H new ATOM 0 HB3 PRO A 35 -16.580 -15.334 1.717 1.00 35.03 H new ATOM 0 HG2 PRO A 35 -17.444 -17.294 3.831 1.00 73.40 H new ATOM 0 HG3 PRO A 35 -17.592 -17.416 2.089 1.00 73.40 H new ATOM 0 HD2 PRO A 35 -15.605 -18.683 3.494 1.00 3.22 H new ATOM 0 HD3 PRO A 35 -15.407 -18.186 1.825 1.00 3.22 H new ATOM 566 N ASP A 36 -15.228 -16.138 5.758 1.00 5.34 N ATOM 567 CA ASP A 36 -15.360 -15.996 7.201 1.00 40.14 C ATOM 568 C ASP A 36 -14.052 -15.540 7.852 1.00 11.25 C ATOM 569 O ASP A 36 -13.811 -15.851 9.012 1.00 0.33 O ATOM 570 CB ASP A 36 -15.800 -17.339 7.810 1.00 40.54 C ATOM 571 CG ASP A 36 -14.756 -18.444 7.640 1.00 3.04 C ATOM 572 OD1 ASP A 36 -14.508 -18.869 6.487 1.00 32.41 O ATOM 573 OD2 ASP A 36 -14.185 -18.894 8.660 1.00 1.03 O ATOM 0 H ASP A 36 -14.993 -17.086 5.463 1.00 5.34 H new ATOM 0 HA ASP A 36 -16.111 -15.230 7.395 1.00 40.14 H new ATOM 0 HB2 ASP A 36 -16.004 -17.200 8.872 1.00 40.54 H new ATOM 0 HB3 ASP A 36 -16.734 -17.654 7.344 1.00 40.54 H new ATOM 578 N ALA A 37 -13.209 -14.830 7.079 1.00 72.43 N ATOM 579 CA ALA A 37 -11.883 -14.336 7.538 1.00 73.24 C ATOM 580 C ALA A 37 -11.827 -14.042 9.049 1.00 35.41 C ATOM 581 O ALA A 37 -10.955 -14.575 9.740 1.00 62.41 O ATOM 582 CB ALA A 37 -11.468 -13.114 6.742 1.00 41.41 C ATOM 0 H ALA A 37 -13.423 -14.578 6.114 1.00 72.43 H new ATOM 0 HA ALA A 37 -11.175 -15.145 7.359 1.00 73.24 H new ATOM 0 HB1 ALA A 37 -10.496 -12.766 7.091 1.00 41.41 H new ATOM 0 HB2 ALA A 37 -11.403 -13.373 5.685 1.00 41.41 H new ATOM 0 HB3 ALA A 37 -12.206 -12.324 6.877 1.00 41.41 H new ATOM 588 N SER A 38 -12.798 -13.249 9.570 1.00 34.23 N ATOM 589 CA SER A 38 -12.908 -12.919 11.010 1.00 22.01 C ATOM 590 C SER A 38 -11.543 -12.601 11.663 1.00 43.53 C ATOM 591 O SER A 38 -11.312 -12.930 12.827 1.00 62.32 O ATOM 592 CB SER A 38 -13.610 -14.063 11.745 1.00 25.00 C ATOM 593 OG SER A 38 -14.867 -14.347 11.142 1.00 73.00 O ATOM 0 H SER A 38 -13.527 -12.821 9.000 1.00 34.23 H new ATOM 0 HA SER A 38 -13.501 -12.008 11.093 1.00 22.01 H new ATOM 0 HB2 SER A 38 -12.982 -14.954 11.727 1.00 25.00 H new ATOM 0 HB3 SER A 38 -13.754 -13.796 12.792 1.00 25.00 H new ATOM 0 HG SER A 38 -14.728 -14.876 10.329 1.00 73.00 H new ATOM 599 N VAL A 39 -10.667 -11.937 10.925 1.00 24.20 N ATOM 600 CA VAL A 39 -9.321 -11.637 11.412 1.00 54.24 C ATOM 601 C VAL A 39 -9.034 -10.140 11.312 1.00 31.12 C ATOM 602 O VAL A 39 -9.954 -9.330 11.154 1.00 4.52 O ATOM 603 CB VAL A 39 -8.243 -12.413 10.610 1.00 60.11 C ATOM 604 CG1 VAL A 39 -8.230 -13.883 10.996 1.00 24.52 C ATOM 605 CG2 VAL A 39 -8.484 -12.257 9.115 1.00 21.41 C ATOM 0 H VAL A 39 -10.860 -11.593 9.984 1.00 24.20 H new ATOM 0 HA VAL A 39 -9.278 -11.950 12.455 1.00 54.24 H new ATOM 0 HB VAL A 39 -7.268 -11.992 10.854 1.00 60.11 H new ATOM 0 HG11 VAL A 39 -7.466 -14.404 10.419 1.00 24.52 H new ATOM 0 HG12 VAL A 39 -8.010 -13.978 12.059 1.00 24.52 H new ATOM 0 HG13 VAL A 39 -9.205 -14.323 10.787 1.00 24.52 H new ATOM 0 HG21 VAL A 39 -7.721 -12.806 8.564 1.00 21.41 H new ATOM 0 HG22 VAL A 39 -9.468 -12.651 8.862 1.00 21.41 H new ATOM 0 HG23 VAL A 39 -8.436 -11.202 8.847 1.00 21.41 H new ATOM 615 N ASN A 40 -7.764 -9.788 11.372 1.00 53.05 N ATOM 616 CA ASN A 40 -7.331 -8.405 11.273 1.00 72.31 C ATOM 617 C ASN A 40 -6.319 -8.296 10.158 1.00 74.02 C ATOM 618 O ASN A 40 -5.389 -9.075 10.108 1.00 43.22 O ATOM 619 CB ASN A 40 -6.713 -7.936 12.596 1.00 64.04 C ATOM 620 CG ASN A 40 -5.975 -6.610 12.468 1.00 64.21 C ATOM 621 OD1 ASN A 40 -4.763 -6.578 12.213 1.00 55.44 O ATOM 622 ND2 ASN A 40 -6.686 -5.515 12.639 1.00 23.31 N ATOM 0 H ASN A 40 -7.001 -10.454 11.491 1.00 53.05 H new ATOM 0 HA ASN A 40 -8.190 -7.769 11.060 1.00 72.31 H new ATOM 0 HB2 ASN A 40 -7.500 -7.837 13.344 1.00 64.04 H new ATOM 0 HB3 ASN A 40 -6.022 -8.697 12.958 1.00 64.04 H new ATOM 0 HD21 ASN A 40 -6.241 -4.601 12.563 1.00 23.31 H new ATOM 0 HD22 ASN A 40 -7.682 -5.581 12.848 1.00 23.31 H new ATOM 629 N PHE A 41 -6.478 -7.302 9.308 1.00 22.00 N ATOM 630 CA PHE A 41 -5.634 -7.173 8.114 1.00 63.34 C ATOM 631 C PHE A 41 -4.132 -7.101 8.436 1.00 20.15 C ATOM 632 O PHE A 41 -3.345 -7.893 7.910 1.00 33.43 O ATOM 633 CB PHE A 41 -6.061 -5.969 7.266 1.00 31.13 C ATOM 634 CG PHE A 41 -5.378 -5.909 5.926 1.00 32.54 C ATOM 635 CD1 PHE A 41 -5.833 -6.681 4.868 1.00 45.50 C ATOM 636 CD2 PHE A 41 -4.277 -5.091 5.727 1.00 0.52 C ATOM 637 CE1 PHE A 41 -5.206 -6.635 3.638 1.00 63.04 C ATOM 638 CE2 PHE A 41 -3.645 -5.042 4.499 1.00 13.52 C ATOM 639 CZ PHE A 41 -4.111 -5.815 3.454 1.00 41.21 C ATOM 0 H PHE A 41 -7.179 -6.568 9.412 1.00 22.00 H new ATOM 0 HA PHE A 41 -5.785 -8.086 7.538 1.00 63.34 H new ATOM 0 HB2 PHE A 41 -7.140 -6.005 7.114 1.00 31.13 H new ATOM 0 HB3 PHE A 41 -5.847 -5.053 7.816 1.00 31.13 H new ATOM 0 HD1 PHE A 41 -6.688 -7.326 5.007 1.00 45.50 H new ATOM 0 HD2 PHE A 41 -3.909 -4.485 6.541 1.00 0.52 H new ATOM 0 HE1 PHE A 41 -5.572 -7.240 2.821 1.00 63.04 H new ATOM 0 HE2 PHE A 41 -2.788 -4.400 4.357 1.00 13.52 H new ATOM 0 HZ PHE A 41 -3.619 -5.778 2.493 1.00 41.21 H new ATOM 649 N SER A 42 -3.751 -6.154 9.282 1.00 74.20 N ATOM 650 CA SER A 42 -2.344 -5.929 9.626 1.00 73.12 C ATOM 651 C SER A 42 -1.604 -7.228 10.036 1.00 5.15 C ATOM 652 O SER A 42 -0.607 -7.598 9.410 1.00 73.43 O ATOM 653 CB SER A 42 -2.235 -4.876 10.729 1.00 20.32 C ATOM 654 OG SER A 42 -2.813 -3.643 10.311 1.00 34.23 O ATOM 0 H SER A 42 -4.400 -5.521 9.749 1.00 74.20 H new ATOM 0 HA SER A 42 -1.851 -5.566 8.725 1.00 73.12 H new ATOM 0 HB2 SER A 42 -2.738 -5.232 11.628 1.00 20.32 H new ATOM 0 HB3 SER A 42 -1.188 -4.722 10.989 1.00 20.32 H new ATOM 0 HG SER A 42 -2.734 -2.984 11.032 1.00 34.23 H new ATOM 660 N GLU A 43 -2.102 -7.917 11.062 1.00 40.52 N ATOM 661 CA GLU A 43 -1.453 -9.148 11.551 1.00 12.22 C ATOM 662 C GLU A 43 -1.731 -10.339 10.627 1.00 55.02 C ATOM 663 O GLU A 43 -0.948 -11.280 10.549 1.00 25.42 O ATOM 664 CB GLU A 43 -1.905 -9.462 12.970 1.00 23.24 C ATOM 665 CG GLU A 43 -3.413 -9.511 13.139 1.00 4.32 C ATOM 666 CD GLU A 43 -3.820 -9.944 14.520 1.00 63.34 C ATOM 667 OE1 GLU A 43 -3.962 -11.159 14.741 1.00 73.10 O ATOM 668 OE2 GLU A 43 -3.993 -9.075 15.399 1.00 22.04 O ATOM 0 H GLU A 43 -2.945 -7.653 11.572 1.00 40.52 H new ATOM 0 HA GLU A 43 -0.377 -8.974 11.553 1.00 12.22 H new ATOM 0 HB2 GLU A 43 -1.484 -10.421 13.271 1.00 23.24 H new ATOM 0 HB3 GLU A 43 -1.498 -8.710 13.645 1.00 23.24 H new ATOM 0 HG2 GLU A 43 -3.832 -8.526 12.932 1.00 4.32 H new ATOM 0 HG3 GLU A 43 -3.836 -10.198 12.406 1.00 4.32 H new ATOM 675 N PHE A 44 -2.845 -10.275 9.947 1.00 0.21 N ATOM 676 CA PHE A 44 -3.181 -11.342 8.991 1.00 3.03 C ATOM 677 C PHE A 44 -2.164 -11.397 7.846 1.00 14.25 C ATOM 678 O PHE A 44 -2.145 -12.339 7.066 1.00 24.11 O ATOM 679 CB PHE A 44 -4.602 -11.193 8.444 1.00 40.40 C ATOM 680 CG PHE A 44 -5.188 -12.471 7.912 1.00 74.52 C ATOM 681 CD1 PHE A 44 -5.059 -13.658 8.620 1.00 51.35 C ATOM 682 CD2 PHE A 44 -5.876 -12.484 6.714 1.00 53.03 C ATOM 683 CE1 PHE A 44 -5.605 -14.830 8.140 1.00 60.23 C ATOM 684 CE2 PHE A 44 -6.425 -13.655 6.227 1.00 71.02 C ATOM 685 CZ PHE A 44 -6.288 -14.828 6.942 1.00 54.21 C ATOM 0 H PHE A 44 -3.531 -9.524 10.020 1.00 0.21 H new ATOM 0 HA PHE A 44 -3.137 -12.285 9.536 1.00 3.03 H new ATOM 0 HB2 PHE A 44 -5.247 -10.811 9.235 1.00 40.40 H new ATOM 0 HB3 PHE A 44 -4.598 -10.448 7.648 1.00 40.40 H new ATOM 0 HD1 PHE A 44 -4.524 -13.664 9.558 1.00 51.35 H new ATOM 0 HD2 PHE A 44 -5.986 -11.569 6.152 1.00 53.03 H new ATOM 0 HE1 PHE A 44 -5.498 -15.747 8.701 1.00 60.23 H new ATOM 0 HE2 PHE A 44 -6.960 -13.653 5.289 1.00 71.02 H new ATOM 0 HZ PHE A 44 -6.716 -15.744 6.563 1.00 54.21 H new ATOM 695 N SER A 45 -1.300 -10.409 7.793 1.00 22.33 N ATOM 696 CA SER A 45 -0.297 -10.320 6.758 1.00 22.41 C ATOM 697 C SER A 45 0.948 -11.163 7.086 1.00 20.41 C ATOM 698 O SER A 45 1.710 -11.515 6.185 1.00 72.05 O ATOM 699 CB SER A 45 0.088 -8.847 6.561 1.00 11.44 C ATOM 700 OG SER A 45 0.956 -8.667 5.459 1.00 70.30 O ATOM 0 H SER A 45 -1.273 -9.644 8.467 1.00 22.33 H new ATOM 0 HA SER A 45 -0.717 -10.723 5.836 1.00 22.41 H new ATOM 0 HB2 SER A 45 -0.814 -8.254 6.412 1.00 11.44 H new ATOM 0 HB3 SER A 45 0.569 -8.474 7.465 1.00 11.44 H new ATOM 0 HG SER A 45 1.176 -7.716 5.368 1.00 70.30 H new ATOM 706 N LYS A 46 1.131 -11.522 8.362 1.00 52.40 N ATOM 707 CA LYS A 46 2.344 -12.242 8.786 1.00 61.21 C ATOM 708 C LYS A 46 2.532 -13.585 8.065 1.00 0.24 C ATOM 709 O LYS A 46 3.666 -14.015 7.835 1.00 64.35 O ATOM 710 CB LYS A 46 2.402 -12.411 10.314 1.00 21.51 C ATOM 711 CG LYS A 46 1.297 -13.261 10.920 1.00 4.10 C ATOM 712 CD LYS A 46 1.332 -13.179 12.442 1.00 52.31 C ATOM 713 CE LYS A 46 0.249 -14.030 13.086 1.00 64.41 C ATOM 714 NZ LYS A 46 0.547 -15.480 12.994 1.00 24.42 N ATOM 0 H LYS A 46 0.467 -11.331 9.112 1.00 52.40 H new ATOM 0 HA LYS A 46 3.184 -11.615 8.487 1.00 61.21 H new ATOM 0 HB2 LYS A 46 3.363 -12.854 10.577 1.00 21.51 H new ATOM 0 HB3 LYS A 46 2.370 -11.423 10.773 1.00 21.51 H new ATOM 0 HG2 LYS A 46 0.328 -12.922 10.554 1.00 4.10 H new ATOM 0 HG3 LYS A 46 1.413 -14.298 10.603 1.00 4.10 H new ATOM 0 HD2 LYS A 46 2.309 -13.505 12.800 1.00 52.31 H new ATOM 0 HD3 LYS A 46 1.209 -12.141 12.752 1.00 52.31 H new ATOM 0 HE2 LYS A 46 0.143 -13.748 14.134 1.00 64.41 H new ATOM 0 HE3 LYS A 46 -0.706 -13.826 12.603 1.00 64.41 H new ATOM 0 HZ1 LYS A 46 -0.209 -16.020 13.461 1.00 24.42 H new ATOM 0 HZ2 LYS A 46 0.606 -15.760 11.994 1.00 24.42 H new ATOM 0 HZ3 LYS A 46 1.454 -15.678 13.463 1.00 24.42 H new ATOM 728 N LYS A 47 1.431 -14.247 7.713 1.00 45.34 N ATOM 729 CA LYS A 47 1.508 -15.506 6.963 1.00 52.43 C ATOM 730 C LYS A 47 2.124 -15.268 5.587 1.00 32.23 C ATOM 731 O LYS A 47 2.892 -16.086 5.080 1.00 13.25 O ATOM 732 CB LYS A 47 0.115 -16.130 6.815 1.00 52.31 C ATOM 733 CG LYS A 47 -0.491 -16.655 8.115 1.00 45.13 C ATOM 734 CD LYS A 47 -0.151 -18.130 8.362 1.00 11.33 C ATOM 735 CE LYS A 47 1.335 -18.355 8.616 1.00 34.14 C ATOM 736 NZ LYS A 47 1.642 -19.785 8.861 1.00 33.13 N ATOM 0 H LYS A 47 0.483 -13.939 7.931 1.00 45.34 H new ATOM 0 HA LYS A 47 2.143 -16.197 7.518 1.00 52.43 H new ATOM 0 HB2 LYS A 47 -0.559 -15.385 6.391 1.00 52.31 H new ATOM 0 HB3 LYS A 47 0.174 -16.951 6.100 1.00 52.31 H new ATOM 0 HG2 LYS A 47 -0.128 -16.056 8.950 1.00 45.13 H new ATOM 0 HG3 LYS A 47 -1.574 -16.535 8.083 1.00 45.13 H new ATOM 0 HD2 LYS A 47 -0.721 -18.492 9.218 1.00 11.33 H new ATOM 0 HD3 LYS A 47 -0.462 -18.720 7.500 1.00 11.33 H new ATOM 0 HE2 LYS A 47 1.908 -18.002 7.758 1.00 34.14 H new ATOM 0 HE3 LYS A 47 1.650 -17.763 9.475 1.00 34.14 H new ATOM 0 HZ1 LYS A 47 2.662 -19.897 9.029 1.00 33.13 H new ATOM 0 HZ2 LYS A 47 1.115 -20.115 9.695 1.00 33.13 H new ATOM 0 HZ3 LYS A 47 1.364 -20.347 8.031 1.00 33.13 H new ATOM 750 N CYS A 48 1.783 -14.154 5.009 1.00 34.53 N ATOM 751 CA CYS A 48 2.320 -13.789 3.714 1.00 75.45 C ATOM 752 C CYS A 48 3.789 -13.366 3.841 1.00 4.01 C ATOM 753 O CYS A 48 4.632 -13.818 3.068 1.00 30.13 O ATOM 754 CB CYS A 48 1.482 -12.673 3.082 1.00 41.05 C ATOM 755 SG CYS A 48 -0.321 -12.985 3.121 1.00 35.12 S ATOM 0 H CYS A 48 1.135 -13.475 5.408 1.00 34.53 H new ATOM 0 HA CYS A 48 2.274 -14.660 3.061 1.00 75.45 H new ATOM 0 HB2 CYS A 48 1.690 -11.738 3.601 1.00 41.05 H new ATOM 0 HB3 CYS A 48 1.795 -12.539 2.047 1.00 41.05 H new ATOM 760 N SER A 49 4.063 -12.465 4.798 1.00 10.50 N ATOM 761 CA SER A 49 5.428 -11.969 5.097 1.00 63.24 C ATOM 762 C SER A 49 6.509 -13.047 4.916 1.00 54.14 C ATOM 763 O SER A 49 7.425 -12.895 4.093 1.00 54.11 O ATOM 764 CB SER A 49 5.493 -11.457 6.541 1.00 54.12 C ATOM 765 OG SER A 49 4.400 -10.616 6.848 1.00 25.32 O ATOM 0 H SER A 49 3.344 -12.054 5.393 1.00 10.50 H new ATOM 0 HA SER A 49 5.628 -11.167 4.386 1.00 63.24 H new ATOM 0 HB2 SER A 49 5.504 -12.304 7.227 1.00 54.12 H new ATOM 0 HB3 SER A 49 6.425 -10.912 6.692 1.00 54.12 H new ATOM 0 HG SER A 49 4.242 -9.999 6.103 1.00 25.32 H new ATOM 771 N GLU A 50 6.390 -14.124 5.689 1.00 14.13 N ATOM 772 CA GLU A 50 7.361 -15.217 5.664 1.00 43.00 C ATOM 773 C GLU A 50 7.512 -15.834 4.269 1.00 55.44 C ATOM 774 O GLU A 50 8.609 -16.257 3.887 1.00 74.24 O ATOM 775 CB GLU A 50 6.991 -16.293 6.690 1.00 52.21 C ATOM 776 CG GLU A 50 5.573 -16.819 6.558 1.00 64.30 C ATOM 777 CD GLU A 50 5.287 -17.959 7.503 1.00 5.34 C ATOM 778 OE1 GLU A 50 5.038 -17.700 8.699 1.00 64.15 O ATOM 779 OE2 GLU A 50 5.323 -19.127 7.057 1.00 65.12 O ATOM 0 H GLU A 50 5.623 -14.264 6.347 1.00 14.13 H new ATOM 0 HA GLU A 50 8.327 -14.789 5.931 1.00 43.00 H new ATOM 0 HB2 GLU A 50 7.686 -17.127 6.592 1.00 52.21 H new ATOM 0 HB3 GLU A 50 7.123 -15.884 7.692 1.00 52.21 H new ATOM 0 HG2 GLU A 50 4.870 -16.009 6.749 1.00 64.30 H new ATOM 0 HG3 GLU A 50 5.406 -17.151 5.533 1.00 64.30 H new ATOM 786 N ARG A 51 6.425 -15.874 3.503 1.00 5.34 N ATOM 787 CA ARG A 51 6.463 -16.436 2.165 1.00 34.14 C ATOM 788 C ARG A 51 7.171 -15.482 1.207 1.00 21.54 C ATOM 789 O ARG A 51 8.021 -15.895 0.435 1.00 4.12 O ATOM 790 CB ARG A 51 5.045 -16.749 1.664 1.00 41.53 C ATOM 791 CG ARG A 51 5.001 -17.278 0.236 1.00 4.21 C ATOM 792 CD ARG A 51 3.583 -17.604 -0.197 1.00 63.44 C ATOM 793 NE ARG A 51 3.517 -17.960 -1.616 1.00 24.03 N ATOM 794 CZ ARG A 51 2.457 -17.747 -2.402 1.00 42.32 C ATOM 795 NH1 ARG A 51 1.347 -17.207 -1.906 1.00 70.43 N ATOM 796 NH2 ARG A 51 2.506 -18.085 -3.680 1.00 54.01 N ATOM 0 H ARG A 51 5.511 -15.524 3.789 1.00 5.34 H new ATOM 0 HA ARG A 51 7.024 -17.370 2.202 1.00 34.14 H new ATOM 0 HB2 ARG A 51 4.589 -17.483 2.328 1.00 41.53 H new ATOM 0 HB3 ARG A 51 4.440 -15.844 1.725 1.00 41.53 H new ATOM 0 HG2 ARG A 51 5.427 -16.537 -0.440 1.00 4.21 H new ATOM 0 HG3 ARG A 51 5.620 -18.172 0.160 1.00 4.21 H new ATOM 0 HD2 ARG A 51 3.200 -18.429 0.403 1.00 63.44 H new ATOM 0 HD3 ARG A 51 2.938 -16.746 -0.007 1.00 63.44 H new ATOM 0 HE ARG A 51 4.337 -18.401 -2.033 1.00 24.03 H new ATOM 0 HH11 ARG A 51 1.301 -16.952 -0.919 1.00 70.43 H new ATOM 0 HH12 ARG A 51 0.542 -17.048 -2.512 1.00 70.43 H new ATOM 0 HH21 ARG A 51 3.351 -18.507 -4.064 1.00 54.01 H new ATOM 0 HH22 ARG A 51 1.698 -17.923 -4.282 1.00 54.01 H new ATOM 810 N TRP A 52 6.811 -14.223 1.273 1.00 74.41 N ATOM 811 CA TRP A 52 7.421 -13.171 0.445 1.00 43.34 C ATOM 812 C TRP A 52 8.946 -13.209 0.526 1.00 13.11 C ATOM 813 O TRP A 52 9.634 -13.149 -0.495 1.00 54.24 O ATOM 814 CB TRP A 52 6.903 -11.787 0.871 1.00 24.03 C ATOM 815 CG TRP A 52 7.601 -10.630 0.194 1.00 74.11 C ATOM 816 CD1 TRP A 52 8.659 -9.913 0.682 1.00 40.22 C ATOM 817 CD2 TRP A 52 7.291 -10.057 -1.085 1.00 22.41 C ATOM 818 NE1 TRP A 52 9.024 -8.939 -0.214 1.00 12.20 N ATOM 819 CE2 TRP A 52 8.201 -9.004 -1.304 1.00 2.13 C ATOM 820 CE3 TRP A 52 6.337 -10.332 -2.064 1.00 10.10 C ATOM 821 CZ2 TRP A 52 8.182 -8.230 -2.461 1.00 61.02 C ATOM 822 CZ3 TRP A 52 6.318 -9.561 -3.211 1.00 10.04 C ATOM 823 CH2 TRP A 52 7.236 -8.523 -3.401 1.00 53.02 C ATOM 0 H TRP A 52 6.084 -13.882 1.901 1.00 74.41 H new ATOM 0 HA TRP A 52 7.135 -13.356 -0.590 1.00 43.34 H new ATOM 0 HB2 TRP A 52 5.836 -11.729 0.657 1.00 24.03 H new ATOM 0 HB3 TRP A 52 7.017 -11.685 1.950 1.00 24.03 H new ATOM 0 HD1 TRP A 52 9.138 -10.088 1.634 1.00 40.22 H new ATOM 0 HE1 TRP A 52 9.787 -8.274 -0.087 1.00 12.20 H new ATOM 0 HE3 TRP A 52 5.626 -11.133 -1.928 1.00 10.10 H new ATOM 0 HZ2 TRP A 52 8.889 -7.427 -2.610 1.00 61.02 H new ATOM 0 HZ3 TRP A 52 5.581 -9.764 -3.974 1.00 10.04 H new ATOM 0 HH2 TRP A 52 7.196 -7.941 -4.310 1.00 53.02 H new ATOM 834 N LYS A 53 9.466 -13.340 1.740 1.00 22.45 N ATOM 835 CA LYS A 53 10.910 -13.351 1.959 1.00 72.12 C ATOM 836 C LYS A 53 11.563 -14.623 1.435 1.00 70.53 C ATOM 837 O LYS A 53 12.785 -14.723 1.386 1.00 12.22 O ATOM 838 CB LYS A 53 11.234 -13.180 3.440 1.00 61.34 C ATOM 839 CG LYS A 53 10.790 -11.850 4.021 1.00 2.25 C ATOM 840 CD LYS A 53 11.237 -11.694 5.467 1.00 55.41 C ATOM 841 CE LYS A 53 12.756 -11.718 5.590 1.00 42.34 C ATOM 842 NZ LYS A 53 13.203 -11.451 6.976 1.00 33.14 N ATOM 0 H LYS A 53 8.910 -13.440 2.589 1.00 22.45 H new ATOM 0 HA LYS A 53 11.318 -12.510 1.399 1.00 72.12 H new ATOM 0 HB2 LYS A 53 10.760 -13.986 4.000 1.00 61.34 H new ATOM 0 HB3 LYS A 53 12.310 -13.285 3.580 1.00 61.34 H new ATOM 0 HG2 LYS A 53 11.200 -11.036 3.423 1.00 2.25 H new ATOM 0 HG3 LYS A 53 9.704 -11.772 3.965 1.00 2.25 H new ATOM 0 HD2 LYS A 53 10.854 -10.756 5.868 1.00 55.41 H new ATOM 0 HD3 LYS A 53 10.810 -12.496 6.069 1.00 55.41 H new ATOM 0 HE2 LYS A 53 13.131 -12.690 5.269 1.00 42.34 H new ATOM 0 HE3 LYS A 53 13.186 -10.973 4.920 1.00 42.34 H new ATOM 0 HZ1 LYS A 53 14.242 -11.476 7.017 1.00 33.14 H new ATOM 0 HZ2 LYS A 53 12.868 -10.513 7.274 1.00 33.14 H new ATOM 0 HZ3 LYS A 53 12.814 -12.176 7.612 1.00 33.14 H new ATOM 856 N THR A 54 10.759 -15.590 1.047 1.00 51.00 N ATOM 857 CA THR A 54 11.282 -16.840 0.546 1.00 71.21 C ATOM 858 C THR A 54 10.848 -17.102 -0.900 1.00 72.40 C ATOM 859 O THR A 54 11.052 -18.201 -1.430 1.00 75.32 O ATOM 860 CB THR A 54 10.871 -18.019 1.452 1.00 1.52 C ATOM 861 OG1 THR A 54 9.502 -17.873 1.853 1.00 42.52 O ATOM 862 CG2 THR A 54 11.756 -18.085 2.688 1.00 14.54 C ATOM 0 H THR A 54 9.741 -15.533 1.069 1.00 51.00 H new ATOM 0 HA THR A 54 12.369 -16.757 0.557 1.00 71.21 H new ATOM 0 HB THR A 54 10.991 -18.943 0.886 1.00 1.52 H new ATOM 0 HG1 THR A 54 9.446 -17.242 2.601 1.00 42.52 H new ATOM 0 HG21 THR A 54 11.448 -18.924 3.312 1.00 14.54 H new ATOM 0 HG22 THR A 54 12.794 -18.220 2.385 1.00 14.54 H new ATOM 0 HG23 THR A 54 11.661 -17.158 3.254 1.00 14.54 H new ATOM 870 N MET A 55 10.259 -16.092 -1.542 1.00 1.34 N ATOM 871 CA MET A 55 9.854 -16.225 -2.938 1.00 1.22 C ATOM 872 C MET A 55 10.991 -15.820 -3.852 1.00 65.54 C ATOM 873 O MET A 55 11.750 -14.897 -3.541 1.00 12.31 O ATOM 874 CB MET A 55 8.601 -15.407 -3.262 1.00 42.42 C ATOM 875 CG MET A 55 7.338 -15.909 -2.586 1.00 72.22 C ATOM 876 SD MET A 55 5.833 -15.301 -3.379 1.00 62.44 S ATOM 877 CE MET A 55 6.144 -13.539 -3.416 1.00 75.32 C ATOM 0 H MET A 55 10.055 -15.185 -1.123 1.00 1.34 H new ATOM 0 HA MET A 55 9.607 -17.274 -3.104 1.00 1.22 H new ATOM 0 HB2 MET A 55 8.770 -14.371 -2.967 1.00 42.42 H new ATOM 0 HB3 MET A 55 8.448 -15.410 -4.341 1.00 42.42 H new ATOM 0 HG2 MET A 55 7.334 -16.999 -2.596 1.00 72.22 H new ATOM 0 HG3 MET A 55 7.343 -15.600 -1.541 1.00 72.22 H new ATOM 0 HE1 MET A 55 5.284 -13.027 -3.847 1.00 75.32 H new ATOM 0 HE2 MET A 55 6.311 -13.178 -2.401 1.00 75.32 H new ATOM 0 HE3 MET A 55 7.027 -13.338 -4.023 1.00 75.32 H new ATOM 887 N SER A 56 11.123 -16.526 -4.958 1.00 74.45 N ATOM 888 CA SER A 56 12.207 -16.283 -5.895 1.00 0.50 C ATOM 889 C SER A 56 12.042 -14.899 -6.575 1.00 72.31 C ATOM 890 O SER A 56 11.086 -14.163 -6.288 1.00 72.23 O ATOM 891 CB SER A 56 12.217 -17.391 -6.943 1.00 32.34 C ATOM 892 OG SER A 56 12.166 -18.671 -6.328 1.00 41.22 O ATOM 0 H SER A 56 10.490 -17.277 -5.232 1.00 74.45 H new ATOM 0 HA SER A 56 13.155 -16.282 -5.356 1.00 0.50 H new ATOM 0 HB2 SER A 56 11.366 -17.271 -7.613 1.00 32.34 H new ATOM 0 HB3 SER A 56 13.117 -17.312 -7.553 1.00 32.34 H new ATOM 0 HG SER A 56 12.172 -19.366 -7.019 1.00 41.22 H new ATOM 898 N ALA A 57 12.937 -14.572 -7.499 1.00 72.52 N ATOM 899 CA ALA A 57 12.899 -13.267 -8.155 1.00 21.11 C ATOM 900 C ALA A 57 11.736 -13.164 -9.132 1.00 63.24 C ATOM 901 O ALA A 57 11.123 -12.102 -9.275 1.00 55.21 O ATOM 902 CB ALA A 57 14.215 -12.995 -8.866 1.00 40.12 C ATOM 0 H ALA A 57 13.691 -15.184 -7.810 1.00 72.52 H new ATOM 0 HA ALA A 57 12.750 -12.512 -7.383 1.00 21.11 H new ATOM 0 HB1 ALA A 57 14.172 -12.019 -9.350 1.00 40.12 H new ATOM 0 HB2 ALA A 57 15.029 -13.005 -8.141 1.00 40.12 H new ATOM 0 HB3 ALA A 57 14.389 -13.765 -9.617 1.00 40.12 H new ATOM 908 N LYS A 58 11.429 -14.272 -9.796 1.00 12.13 N ATOM 909 CA LYS A 58 10.336 -14.321 -10.765 1.00 31.15 C ATOM 910 C LYS A 58 8.990 -14.049 -10.111 1.00 0.44 C ATOM 911 O LYS A 58 8.107 -13.450 -10.722 1.00 25.52 O ATOM 912 CB LYS A 58 10.307 -15.675 -11.474 1.00 63.21 C ATOM 913 CG LYS A 58 11.364 -15.830 -12.553 1.00 43.14 C ATOM 914 CD LYS A 58 11.075 -14.923 -13.741 1.00 43.33 C ATOM 915 CE LYS A 58 12.063 -15.153 -14.867 1.00 70.21 C ATOM 916 NZ LYS A 58 11.675 -14.424 -16.102 1.00 20.31 N ATOM 0 H LYS A 58 11.925 -15.156 -9.681 1.00 12.13 H new ATOM 0 HA LYS A 58 10.518 -13.536 -11.499 1.00 31.15 H new ATOM 0 HB2 LYS A 58 10.440 -16.464 -10.734 1.00 63.21 H new ATOM 0 HB3 LYS A 58 9.323 -15.819 -11.920 1.00 63.21 H new ATOM 0 HG2 LYS A 58 12.345 -15.593 -12.141 1.00 43.14 H new ATOM 0 HG3 LYS A 58 11.400 -16.868 -12.885 1.00 43.14 H new ATOM 0 HD2 LYS A 58 10.062 -15.104 -14.101 1.00 43.33 H new ATOM 0 HD3 LYS A 58 11.119 -13.881 -13.424 1.00 43.33 H new ATOM 0 HE2 LYS A 58 13.055 -14.830 -14.551 1.00 70.21 H new ATOM 0 HE3 LYS A 58 12.128 -16.220 -15.081 1.00 70.21 H new ATOM 0 HZ1 LYS A 58 12.376 -14.607 -16.848 1.00 20.31 H new ATOM 0 HZ2 LYS A 58 10.739 -14.750 -16.418 1.00 20.31 H new ATOM 0 HZ3 LYS A 58 11.638 -13.403 -15.905 1.00 20.31 H new ATOM 930 N GLU A 59 8.839 -14.477 -8.872 1.00 61.22 N ATOM 931 CA GLU A 59 7.593 -14.284 -8.152 1.00 0.03 C ATOM 932 C GLU A 59 7.381 -12.820 -7.812 1.00 42.31 C ATOM 933 O GLU A 59 6.293 -12.287 -7.999 1.00 54.35 O ATOM 934 CB GLU A 59 7.561 -15.130 -6.887 1.00 30.30 C ATOM 935 CG GLU A 59 7.577 -16.623 -7.154 1.00 43.51 C ATOM 936 CD GLU A 59 6.458 -17.058 -8.077 1.00 52.42 C ATOM 937 OE1 GLU A 59 5.289 -17.042 -7.650 1.00 53.15 O ATOM 938 OE2 GLU A 59 6.748 -17.435 -9.234 1.00 43.32 O ATOM 0 H GLU A 59 9.564 -14.961 -8.342 1.00 61.22 H new ATOM 0 HA GLU A 59 6.780 -14.605 -8.804 1.00 0.03 H new ATOM 0 HB2 GLU A 59 8.418 -14.871 -6.265 1.00 30.30 H new ATOM 0 HB3 GLU A 59 6.666 -14.881 -6.316 1.00 30.30 H new ATOM 0 HG2 GLU A 59 8.535 -16.900 -7.594 1.00 43.51 H new ATOM 0 HG3 GLU A 59 7.493 -17.159 -6.209 1.00 43.51 H new ATOM 945 N LYS A 60 8.430 -12.163 -7.333 1.00 22.55 N ATOM 946 CA LYS A 60 8.356 -10.755 -6.970 1.00 52.42 C ATOM 947 C LYS A 60 8.275 -9.870 -8.206 1.00 22.05 C ATOM 948 O LYS A 60 7.833 -8.728 -8.124 1.00 54.10 O ATOM 949 CB LYS A 60 9.576 -10.357 -6.144 1.00 32.03 C ATOM 950 CG LYS A 60 9.718 -11.106 -4.831 1.00 75.44 C ATOM 951 CD LYS A 60 10.963 -10.659 -4.087 1.00 24.15 C ATOM 952 CE LYS A 60 11.099 -11.359 -2.748 1.00 44.44 C ATOM 953 NZ LYS A 60 12.317 -10.924 -2.024 1.00 22.23 N ATOM 0 H LYS A 60 9.346 -12.586 -7.187 1.00 22.55 H new ATOM 0 HA LYS A 60 7.451 -10.613 -6.379 1.00 52.42 H new ATOM 0 HB2 LYS A 60 10.473 -10.522 -6.741 1.00 32.03 H new ATOM 0 HB3 LYS A 60 9.525 -9.289 -5.935 1.00 32.03 H new ATOM 0 HG2 LYS A 60 8.838 -10.934 -4.212 1.00 75.44 H new ATOM 0 HG3 LYS A 60 9.768 -12.178 -5.022 1.00 75.44 H new ATOM 0 HD2 LYS A 60 11.844 -10.864 -4.696 1.00 24.15 H new ATOM 0 HD3 LYS A 60 10.927 -9.581 -3.932 1.00 24.15 H new ATOM 0 HE2 LYS A 60 10.220 -11.152 -2.138 1.00 44.44 H new ATOM 0 HE3 LYS A 60 11.133 -12.437 -2.903 1.00 44.44 H new ATOM 0 HZ1 LYS A 60 12.377 -11.423 -1.114 1.00 22.23 H new ATOM 0 HZ2 LYS A 60 13.158 -11.144 -2.595 1.00 22.23 H new ATOM 0 HZ3 LYS A 60 12.272 -9.899 -1.854 1.00 22.23 H new ATOM 967 N GLY A 61 8.695 -10.417 -9.346 1.00 24.31 N ATOM 968 CA GLY A 61 8.718 -9.672 -10.599 1.00 53.24 C ATOM 969 C GLY A 61 7.420 -8.945 -10.899 1.00 22.30 C ATOM 970 O GLY A 61 7.434 -7.755 -11.238 1.00 50.21 O ATOM 0 H GLY A 61 9.025 -11.379 -9.425 1.00 24.31 H new ATOM 0 HA2 GLY A 61 9.531 -8.947 -10.566 1.00 53.24 H new ATOM 0 HA3 GLY A 61 8.937 -10.359 -11.416 1.00 53.24 H new ATOM 974 N LYS A 62 6.302 -9.649 -10.767 1.00 20.20 N ATOM 975 CA LYS A 62 4.993 -9.062 -11.031 1.00 11.53 C ATOM 976 C LYS A 62 4.678 -7.961 -10.028 1.00 24.14 C ATOM 977 O LYS A 62 4.234 -6.879 -10.401 1.00 41.42 O ATOM 978 CB LYS A 62 3.899 -10.133 -10.983 1.00 31.51 C ATOM 979 CG LYS A 62 2.496 -9.584 -11.191 1.00 75.42 C ATOM 980 CD LYS A 62 1.443 -10.666 -11.041 1.00 11.51 C ATOM 981 CE LYS A 62 0.043 -10.095 -11.203 1.00 24.15 C ATOM 982 NZ LYS A 62 -1.000 -11.142 -11.085 1.00 15.51 N ATOM 0 H LYS A 62 6.275 -10.627 -10.479 1.00 20.20 H new ATOM 0 HA LYS A 62 5.020 -8.628 -12.030 1.00 11.53 H new ATOM 0 HB2 LYS A 62 4.103 -10.883 -11.747 1.00 31.51 H new ATOM 0 HB3 LYS A 62 3.942 -10.640 -10.019 1.00 31.51 H new ATOM 0 HG2 LYS A 62 2.306 -8.789 -10.470 1.00 75.42 H new ATOM 0 HG3 LYS A 62 2.422 -9.139 -12.183 1.00 75.42 H new ATOM 0 HD2 LYS A 62 1.609 -11.445 -11.785 1.00 11.51 H new ATOM 0 HD3 LYS A 62 1.536 -11.135 -10.062 1.00 11.51 H new ATOM 0 HE2 LYS A 62 -0.126 -9.328 -10.447 1.00 24.15 H new ATOM 0 HE3 LYS A 62 -0.040 -9.608 -12.175 1.00 24.15 H new ATOM 0 HZ1 LYS A 62 -1.939 -10.711 -11.201 1.00 15.51 H new ATOM 0 HZ2 LYS A 62 -0.855 -11.861 -11.822 1.00 15.51 H new ATOM 0 HZ3 LYS A 62 -0.938 -11.590 -10.148 1.00 15.51 H new ATOM 996 N PHE A 63 4.926 -8.240 -8.758 1.00 51.33 N ATOM 997 CA PHE A 63 4.631 -7.290 -7.694 1.00 54.20 C ATOM 998 C PHE A 63 5.473 -6.028 -7.833 1.00 54.22 C ATOM 999 O PHE A 63 5.005 -4.927 -7.539 1.00 60.12 O ATOM 1000 CB PHE A 63 4.822 -7.945 -6.327 1.00 70.43 C ATOM 1001 CG PHE A 63 3.940 -9.151 -6.135 1.00 74.14 C ATOM 1002 CD1 PHE A 63 2.589 -9.001 -5.878 1.00 21.53 C ATOM 1003 CD2 PHE A 63 4.458 -10.430 -6.232 1.00 54.20 C ATOM 1004 CE1 PHE A 63 1.771 -10.104 -5.718 1.00 75.25 C ATOM 1005 CE2 PHE A 63 3.647 -11.538 -6.076 1.00 20.42 C ATOM 1006 CZ PHE A 63 2.301 -11.373 -5.818 1.00 23.22 C ATOM 0 H PHE A 63 5.332 -9.119 -8.437 1.00 51.33 H new ATOM 0 HA PHE A 63 3.587 -6.990 -7.781 1.00 54.20 H new ATOM 0 HB2 PHE A 63 5.865 -8.240 -6.212 1.00 70.43 H new ATOM 0 HB3 PHE A 63 4.609 -7.215 -5.546 1.00 70.43 H new ATOM 0 HD1 PHE A 63 2.168 -8.009 -5.801 1.00 21.53 H new ATOM 0 HD2 PHE A 63 5.511 -10.564 -6.432 1.00 54.20 H new ATOM 0 HE1 PHE A 63 0.719 -9.972 -5.515 1.00 75.25 H new ATOM 0 HE2 PHE A 63 4.065 -12.531 -6.156 1.00 20.42 H new ATOM 0 HZ PHE A 63 1.664 -12.236 -5.695 1.00 23.22 H new ATOM 1016 N GLU A 64 6.709 -6.191 -8.290 1.00 25.20 N ATOM 1017 CA GLU A 64 7.582 -5.058 -8.552 1.00 54.31 C ATOM 1018 C GLU A 64 6.974 -4.190 -9.646 1.00 5.53 C ATOM 1019 O GLU A 64 6.647 -3.024 -9.416 1.00 31.44 O ATOM 1020 CB GLU A 64 8.973 -5.540 -8.970 1.00 61.32 C ATOM 1021 CG GLU A 64 9.773 -6.175 -7.845 1.00 1.32 C ATOM 1022 CD GLU A 64 10.331 -5.152 -6.878 1.00 31.33 C ATOM 1023 OE1 GLU A 64 9.548 -4.518 -6.146 1.00 41.45 O ATOM 1024 OE2 GLU A 64 11.564 -4.967 -6.855 1.00 72.43 O ATOM 0 H GLU A 64 7.128 -7.100 -8.487 1.00 25.20 H new ATOM 0 HA GLU A 64 7.684 -4.469 -7.641 1.00 54.31 H new ATOM 0 HB2 GLU A 64 8.868 -6.263 -9.779 1.00 61.32 H new ATOM 0 HB3 GLU A 64 9.534 -4.695 -9.368 1.00 61.32 H new ATOM 0 HG2 GLU A 64 9.137 -6.874 -7.302 1.00 1.32 H new ATOM 0 HG3 GLU A 64 10.593 -6.754 -8.269 1.00 1.32 H new ATOM 1031 N ASP A 65 6.863 -4.756 -10.851 1.00 42.22 N ATOM 1032 CA ASP A 65 6.218 -4.093 -11.995 1.00 45.54 C ATOM 1033 C ASP A 65 4.890 -3.419 -11.631 1.00 52.55 C ATOM 1034 O ASP A 65 4.652 -2.270 -12.013 1.00 62.32 O ATOM 1035 CB ASP A 65 6.007 -5.105 -13.123 1.00 21.11 C ATOM 1036 CG ASP A 65 5.336 -4.502 -14.337 1.00 75.21 C ATOM 1037 OD1 ASP A 65 5.876 -3.524 -14.895 1.00 44.31 O ATOM 1038 OD2 ASP A 65 4.269 -5.003 -14.741 1.00 65.04 O ATOM 0 H ASP A 65 7.217 -5.688 -11.064 1.00 42.22 H new ATOM 0 HA ASP A 65 6.887 -3.298 -12.324 1.00 45.54 H new ATOM 0 HB2 ASP A 65 6.971 -5.521 -13.416 1.00 21.11 H new ATOM 0 HB3 ASP A 65 5.402 -5.933 -12.753 1.00 21.11 H new ATOM 1043 N MET A 66 4.040 -4.114 -10.885 1.00 44.42 N ATOM 1044 CA MET A 66 2.745 -3.547 -10.497 1.00 24.43 C ATOM 1045 C MET A 66 2.931 -2.319 -9.618 1.00 53.54 C ATOM 1046 O MET A 66 2.237 -1.318 -9.784 1.00 12.21 O ATOM 1047 CB MET A 66 1.858 -4.575 -9.790 1.00 12.13 C ATOM 1048 CG MET A 66 1.364 -5.692 -10.695 1.00 12.42 C ATOM 1049 SD MET A 66 0.106 -6.724 -9.910 1.00 10.42 S ATOM 1050 CE MET A 66 0.964 -7.246 -8.430 1.00 2.30 C ATOM 0 H MET A 66 4.215 -5.057 -10.539 1.00 44.42 H new ATOM 0 HA MET A 66 2.240 -3.249 -11.416 1.00 24.43 H new ATOM 0 HB2 MET A 66 2.416 -5.012 -8.962 1.00 12.13 H new ATOM 0 HB3 MET A 66 0.998 -4.063 -9.360 1.00 12.13 H new ATOM 0 HG2 MET A 66 0.955 -5.260 -11.608 1.00 12.42 H new ATOM 0 HG3 MET A 66 2.208 -6.316 -10.988 1.00 12.42 H new ATOM 0 HE1 MET A 66 0.363 -7.988 -7.904 1.00 2.30 H new ATOM 0 HE2 MET A 66 1.925 -7.684 -8.702 1.00 2.30 H new ATOM 0 HE3 MET A 66 1.128 -6.385 -7.782 1.00 2.30 H new ATOM 1060 N ALA A 67 3.885 -2.389 -8.699 1.00 32.14 N ATOM 1061 CA ALA A 67 4.178 -1.270 -7.822 1.00 11.52 C ATOM 1062 C ALA A 67 4.682 -0.075 -8.626 1.00 60.12 C ATOM 1063 O ALA A 67 4.339 1.070 -8.338 1.00 24.34 O ATOM 1064 CB ALA A 67 5.199 -1.671 -6.766 1.00 71.11 C ATOM 0 H ALA A 67 4.468 -3.211 -8.544 1.00 32.14 H new ATOM 0 HA ALA A 67 3.256 -0.980 -7.317 1.00 11.52 H new ATOM 0 HB1 ALA A 67 5.406 -0.819 -6.118 1.00 71.11 H new ATOM 0 HB2 ALA A 67 4.802 -2.493 -6.170 1.00 71.11 H new ATOM 0 HB3 ALA A 67 6.121 -1.989 -7.253 1.00 71.11 H new ATOM 1070 N LYS A 68 5.481 -0.353 -9.652 1.00 54.33 N ATOM 1071 CA LYS A 68 6.024 0.697 -10.512 1.00 24.21 C ATOM 1072 C LYS A 68 4.940 1.292 -11.409 1.00 4.24 C ATOM 1073 O LYS A 68 5.093 2.387 -11.938 1.00 3.22 O ATOM 1074 CB LYS A 68 7.171 0.159 -11.368 1.00 72.01 C ATOM 1075 CG LYS A 68 8.368 -0.331 -10.566 1.00 54.32 C ATOM 1076 CD LYS A 68 9.511 -0.764 -11.476 1.00 43.10 C ATOM 1077 CE LYS A 68 9.105 -1.918 -12.381 1.00 24.33 C ATOM 1078 NZ LYS A 68 10.211 -2.340 -13.271 1.00 64.42 N ATOM 0 H LYS A 68 5.768 -1.297 -9.909 1.00 54.33 H new ATOM 0 HA LYS A 68 6.407 1.486 -9.865 1.00 24.21 H new ATOM 0 HB2 LYS A 68 6.798 -0.661 -11.982 1.00 72.01 H new ATOM 0 HB3 LYS A 68 7.500 0.943 -12.050 1.00 72.01 H new ATOM 0 HG2 LYS A 68 8.711 0.462 -9.901 1.00 54.32 H new ATOM 0 HG3 LYS A 68 8.067 -1.167 -9.935 1.00 54.32 H new ATOM 0 HD2 LYS A 68 9.831 0.081 -12.086 1.00 43.10 H new ATOM 0 HD3 LYS A 68 10.366 -1.061 -10.869 1.00 43.10 H new ATOM 0 HE2 LYS A 68 8.788 -2.764 -11.770 1.00 24.33 H new ATOM 0 HE3 LYS A 68 8.247 -1.621 -12.984 1.00 24.33 H new ATOM 0 HZ1 LYS A 68 9.893 -3.128 -13.871 1.00 64.42 H new ATOM 0 HZ2 LYS A 68 10.497 -1.541 -13.872 1.00 64.42 H new ATOM 0 HZ3 LYS A 68 11.021 -2.648 -12.696 1.00 64.42 H new ATOM 1092 N ALA A 69 3.852 0.564 -11.581 1.00 12.43 N ATOM 1093 CA ALA A 69 2.745 1.040 -12.389 1.00 62.25 C ATOM 1094 C ALA A 69 1.774 1.841 -11.532 1.00 71.42 C ATOM 1095 O ALA A 69 0.947 2.599 -12.042 1.00 34.22 O ATOM 1096 CB ALA A 69 2.031 -0.129 -13.053 1.00 70.05 C ATOM 0 H ALA A 69 3.711 -0.360 -11.172 1.00 12.43 H new ATOM 0 HA ALA A 69 3.138 1.691 -13.170 1.00 62.25 H new ATOM 0 HB1 ALA A 69 1.203 0.245 -13.655 1.00 70.05 H new ATOM 0 HB2 ALA A 69 2.731 -0.667 -13.692 1.00 70.05 H new ATOM 0 HB3 ALA A 69 1.647 -0.803 -12.287 1.00 70.05 H new ATOM 1102 N ASP A 70 1.903 1.680 -10.225 1.00 31.24 N ATOM 1103 CA ASP A 70 1.030 2.343 -9.262 1.00 32.21 C ATOM 1104 C ASP A 70 1.373 3.831 -9.126 1.00 2.22 C ATOM 1105 O ASP A 70 0.623 4.600 -8.547 1.00 4.03 O ATOM 1106 CB ASP A 70 1.132 1.643 -7.904 1.00 40.43 C ATOM 1107 CG ASP A 70 0.088 2.114 -6.915 1.00 2.51 C ATOM 1108 OD1 ASP A 70 -1.092 1.730 -7.062 1.00 34.30 O ATOM 1109 OD2 ASP A 70 0.444 2.861 -5.982 1.00 52.33 O ATOM 0 H ASP A 70 2.615 1.087 -9.799 1.00 31.24 H new ATOM 0 HA ASP A 70 0.005 2.275 -9.626 1.00 32.21 H new ATOM 0 HB2 ASP A 70 1.029 0.567 -8.047 1.00 40.43 H new ATOM 0 HB3 ASP A 70 2.124 1.816 -7.486 1.00 40.43 H new ATOM 1114 N LYS A 71 2.505 4.233 -9.678 1.00 31.51 N ATOM 1115 CA LYS A 71 2.930 5.636 -9.615 1.00 10.32 C ATOM 1116 C LYS A 71 1.885 6.582 -10.234 1.00 42.52 C ATOM 1117 O LYS A 71 1.839 7.765 -9.913 1.00 54.43 O ATOM 1118 CB LYS A 71 4.306 5.823 -10.277 1.00 64.35 C ATOM 1119 CG LYS A 71 4.327 5.599 -11.782 1.00 14.44 C ATOM 1120 CD LYS A 71 5.756 5.455 -12.304 1.00 33.04 C ATOM 1121 CE LYS A 71 6.616 6.677 -11.999 1.00 62.22 C ATOM 1122 NZ LYS A 71 6.173 7.879 -12.744 1.00 34.11 N ATOM 0 H LYS A 71 3.149 3.617 -10.174 1.00 31.51 H new ATOM 0 HA LYS A 71 3.019 5.901 -8.561 1.00 10.32 H new ATOM 0 HB2 LYS A 71 4.659 6.833 -10.069 1.00 64.35 H new ATOM 0 HB3 LYS A 71 5.013 5.136 -9.812 1.00 64.35 H new ATOM 0 HG2 LYS A 71 3.757 4.703 -12.026 1.00 14.44 H new ATOM 0 HG3 LYS A 71 3.837 6.434 -12.283 1.00 14.44 H new ATOM 0 HD2 LYS A 71 6.215 4.572 -11.859 1.00 33.04 H new ATOM 0 HD3 LYS A 71 5.731 5.292 -13.381 1.00 33.04 H new ATOM 0 HE2 LYS A 71 6.583 6.883 -10.929 1.00 62.22 H new ATOM 0 HE3 LYS A 71 7.654 6.459 -12.250 1.00 62.22 H new ATOM 0 HZ1 LYS A 71 6.798 8.678 -12.517 1.00 34.11 H new ATOM 0 HZ2 LYS A 71 6.212 7.688 -13.766 1.00 34.11 H new ATOM 0 HZ3 LYS A 71 5.197 8.115 -12.473 1.00 34.11 H new ATOM 1136 N ALA A 72 1.015 6.031 -11.064 1.00 75.33 N ATOM 1137 CA ALA A 72 0.003 6.813 -11.761 1.00 4.32 C ATOM 1138 C ALA A 72 -1.154 7.252 -10.843 1.00 50.23 C ATOM 1139 O ALA A 72 -1.965 8.091 -11.230 1.00 30.41 O ATOM 1140 CB ALA A 72 -0.534 6.029 -12.949 1.00 11.41 C ATOM 0 H ALA A 72 0.989 5.033 -11.274 1.00 75.33 H new ATOM 0 HA ALA A 72 0.489 7.724 -12.109 1.00 4.32 H new ATOM 0 HB1 ALA A 72 -1.290 6.621 -13.464 1.00 11.41 H new ATOM 0 HB2 ALA A 72 0.282 5.805 -13.636 1.00 11.41 H new ATOM 0 HB3 ALA A 72 -0.979 5.098 -12.599 1.00 11.41 H new ATOM 1146 N ARG A 73 -1.225 6.712 -9.630 1.00 21.34 N ATOM 1147 CA ARG A 73 -2.344 7.051 -8.745 1.00 33.13 C ATOM 1148 C ARG A 73 -1.998 8.126 -7.710 1.00 14.04 C ATOM 1149 O ARG A 73 -2.877 8.848 -7.253 1.00 54.12 O ATOM 1150 CB ARG A 73 -2.992 5.801 -8.095 1.00 15.10 C ATOM 1151 CG ARG A 73 -2.025 4.817 -7.464 1.00 75.31 C ATOM 1152 CD ARG A 73 -1.506 5.281 -6.112 1.00 74.10 C ATOM 1153 NE ARG A 73 -2.501 5.121 -5.055 1.00 22.41 N ATOM 1154 CZ ARG A 73 -2.495 4.114 -4.170 1.00 14.20 C ATOM 1155 NH1 ARG A 73 -1.573 3.158 -4.245 1.00 52.51 N ATOM 1156 NH2 ARG A 73 -3.417 4.058 -3.220 1.00 74.13 N ATOM 0 H ARG A 73 -0.546 6.057 -9.242 1.00 21.34 H new ATOM 0 HA ARG A 73 -3.099 7.494 -9.394 1.00 33.13 H new ATOM 0 HB2 ARG A 73 -3.695 6.134 -7.331 1.00 15.10 H new ATOM 0 HB3 ARG A 73 -3.572 5.277 -8.855 1.00 15.10 H new ATOM 0 HG2 ARG A 73 -2.521 3.853 -7.346 1.00 75.31 H new ATOM 0 HG3 ARG A 73 -1.182 4.661 -8.137 1.00 75.31 H new ATOM 0 HD2 ARG A 73 -0.611 4.715 -5.855 1.00 74.10 H new ATOM 0 HD3 ARG A 73 -1.213 6.329 -6.177 1.00 74.10 H new ATOM 0 HE ARG A 73 -3.244 5.816 -4.986 1.00 22.41 H new ATOM 0 HH11 ARG A 73 -0.865 3.189 -4.979 1.00 52.51 H new ATOM 0 HH12 ARG A 73 -1.574 2.395 -3.569 1.00 52.51 H new ATOM 0 HH21 ARG A 73 -4.133 4.782 -3.161 1.00 74.13 H new ATOM 0 HH22 ARG A 73 -3.411 3.291 -2.548 1.00 74.13 H new ATOM 1170 N TYR A 74 -0.728 8.235 -7.331 1.00 23.21 N ATOM 1171 CA TYR A 74 -0.347 9.240 -6.338 1.00 11.33 C ATOM 1172 C TYR A 74 0.213 10.506 -6.977 1.00 21.11 C ATOM 1173 O TYR A 74 -0.026 11.606 -6.490 1.00 71.34 O ATOM 1174 CB TYR A 74 0.613 8.675 -5.272 1.00 3.11 C ATOM 1175 CG TYR A 74 1.917 8.109 -5.789 1.00 22.32 C ATOM 1176 CD1 TYR A 74 3.020 8.927 -6.008 1.00 43.42 C ATOM 1177 CD2 TYR A 74 2.051 6.754 -6.033 1.00 21.23 C ATOM 1178 CE1 TYR A 74 4.215 8.405 -6.459 1.00 13.42 C ATOM 1179 CE2 TYR A 74 3.240 6.226 -6.484 1.00 10.11 C ATOM 1180 CZ TYR A 74 4.318 7.052 -6.696 1.00 50.23 C ATOM 1181 OH TYR A 74 5.505 6.521 -7.143 1.00 12.21 O ATOM 0 H TYR A 74 0.037 7.659 -7.683 1.00 23.21 H new ATOM 0 HA TYR A 74 -1.267 9.521 -5.826 1.00 11.33 H new ATOM 0 HB2 TYR A 74 0.841 9.468 -4.560 1.00 3.11 H new ATOM 0 HB3 TYR A 74 0.092 7.892 -4.721 1.00 3.11 H new ATOM 0 HD1 TYR A 74 2.940 9.988 -5.822 1.00 43.42 H new ATOM 0 HD2 TYR A 74 1.209 6.099 -5.867 1.00 21.23 H new ATOM 0 HE1 TYR A 74 5.063 9.052 -6.625 1.00 13.42 H new ATOM 0 HE2 TYR A 74 3.325 5.166 -6.671 1.00 10.11 H new ATOM 0 HH TYR A 74 5.407 5.553 -7.259 1.00 12.21 H new ATOM 1191 N GLU A 75 0.970 10.345 -8.053 1.00 3.24 N ATOM 1192 CA GLU A 75 1.532 11.498 -8.757 1.00 3.42 C ATOM 1193 C GLU A 75 0.446 12.500 -9.140 1.00 62.51 C ATOM 1194 O GLU A 75 0.574 13.690 -8.862 1.00 41.23 O ATOM 1195 CB GLU A 75 2.348 11.070 -9.969 1.00 72.23 C ATOM 1196 CG GLU A 75 3.585 10.279 -9.591 1.00 3.33 C ATOM 1197 CD GLU A 75 4.510 10.050 -10.752 1.00 14.03 C ATOM 1198 OE1 GLU A 75 4.234 9.159 -11.568 1.00 70.34 O ATOM 1199 OE2 GLU A 75 5.536 10.758 -10.845 1.00 71.24 O ATOM 0 H GLU A 75 1.210 9.440 -8.457 1.00 3.24 H new ATOM 0 HA GLU A 75 2.212 12.000 -8.069 1.00 3.42 H new ATOM 0 HB2 GLU A 75 1.723 10.467 -10.628 1.00 72.23 H new ATOM 0 HB3 GLU A 75 2.645 11.954 -10.533 1.00 72.23 H new ATOM 0 HG2 GLU A 75 4.122 10.808 -8.804 1.00 3.33 H new ATOM 0 HG3 GLU A 75 3.283 9.316 -9.179 1.00 3.33 H new ATOM 1206 N ARG A 76 -0.612 12.019 -9.801 1.00 22.44 N ATOM 1207 CA ARG A 76 -1.780 12.856 -10.130 1.00 44.31 C ATOM 1208 C ARG A 76 -2.296 13.671 -8.923 1.00 43.13 C ATOM 1209 O ARG A 76 -2.837 14.761 -9.098 1.00 3.34 O ATOM 1210 CB ARG A 76 -2.915 12.004 -10.711 1.00 40.22 C ATOM 1211 CG ARG A 76 -3.495 10.988 -9.741 1.00 72.31 C ATOM 1212 CD ARG A 76 -4.537 10.115 -10.415 1.00 1.25 C ATOM 1213 NE ARG A 76 -5.232 9.255 -9.459 1.00 52.10 N ATOM 1214 CZ ARG A 76 -5.682 8.028 -9.731 1.00 5.43 C ATOM 1215 NH1 ARG A 76 -5.451 7.477 -10.921 1.00 13.22 N ATOM 1216 NH2 ARG A 76 -6.348 7.346 -8.804 1.00 73.40 N ATOM 0 H ARG A 76 -0.687 11.053 -10.121 1.00 22.44 H new ATOM 0 HA ARG A 76 -1.442 13.571 -10.880 1.00 44.31 H new ATOM 0 HB2 ARG A 76 -3.714 12.665 -11.047 1.00 40.22 H new ATOM 0 HB3 ARG A 76 -2.545 11.478 -11.591 1.00 40.22 H new ATOM 0 HG2 ARG A 76 -2.695 10.363 -9.344 1.00 72.31 H new ATOM 0 HG3 ARG A 76 -3.944 11.506 -8.894 1.00 72.31 H new ATOM 0 HD2 ARG A 76 -5.262 10.747 -10.928 1.00 1.25 H new ATOM 0 HD3 ARG A 76 -4.057 9.498 -11.175 1.00 1.25 H new ATOM 0 HE ARG A 76 -5.384 9.618 -8.518 1.00 52.10 H new ATOM 0 HH11 ARG A 76 -4.928 7.993 -11.629 1.00 13.22 H new ATOM 0 HH12 ARG A 76 -5.797 6.539 -11.125 1.00 13.22 H new ATOM 0 HH21 ARG A 76 -6.514 7.761 -7.887 1.00 73.40 H new ATOM 0 HH22 ARG A 76 -6.693 6.408 -9.010 1.00 73.40 H new ATOM 1230 N GLU A 77 -2.122 13.150 -7.716 1.00 61.24 N ATOM 1231 CA GLU A 77 -2.561 13.856 -6.518 1.00 5.02 C ATOM 1232 C GLU A 77 -1.647 15.042 -6.248 1.00 22.53 C ATOM 1233 O GLU A 77 -2.105 16.141 -5.936 1.00 44.05 O ATOM 1234 CB GLU A 77 -2.559 12.926 -5.304 1.00 50.15 C ATOM 1235 CG GLU A 77 -3.395 11.674 -5.479 1.00 21.22 C ATOM 1236 CD GLU A 77 -4.826 11.984 -5.815 1.00 35.21 C ATOM 1237 OE1 GLU A 77 -5.553 12.483 -4.934 1.00 31.51 O ATOM 1238 OE2 GLU A 77 -5.235 11.736 -6.962 1.00 74.41 O ATOM 0 H GLU A 77 -1.683 12.246 -7.540 1.00 61.24 H new ATOM 0 HA GLU A 77 -3.579 14.208 -6.687 1.00 5.02 H new ATOM 0 HB2 GLU A 77 -1.532 12.636 -5.085 1.00 50.15 H new ATOM 0 HB3 GLU A 77 -2.926 13.477 -4.438 1.00 50.15 H new ATOM 0 HG2 GLU A 77 -2.964 11.060 -6.270 1.00 21.22 H new ATOM 0 HG3 GLU A 77 -3.359 11.085 -4.562 1.00 21.22 H new ATOM 1245 N MET A 78 -0.351 14.804 -6.382 1.00 34.43 N ATOM 1246 CA MET A 78 0.663 15.825 -6.144 1.00 41.40 C ATOM 1247 C MET A 78 0.656 16.900 -7.234 1.00 44.14 C ATOM 1248 O MET A 78 0.860 18.078 -6.948 1.00 24.11 O ATOM 1249 CB MET A 78 2.052 15.179 -6.046 1.00 75.04 C ATOM 1250 CG MET A 78 3.191 16.176 -5.874 1.00 50.22 C ATOM 1251 SD MET A 78 3.035 17.167 -4.375 1.00 72.52 S ATOM 1252 CE MET A 78 4.472 18.228 -4.532 1.00 23.25 C ATOM 0 H MET A 78 0.029 13.899 -6.659 1.00 34.43 H new ATOM 0 HA MET A 78 0.424 16.313 -5.199 1.00 41.40 H new ATOM 0 HB2 MET A 78 2.060 14.486 -5.205 1.00 75.04 H new ATOM 0 HB3 MET A 78 2.231 14.590 -6.946 1.00 75.04 H new ATOM 0 HG2 MET A 78 4.138 15.637 -5.851 1.00 50.22 H new ATOM 0 HG3 MET A 78 3.222 16.838 -6.740 1.00 50.22 H new ATOM 0 HE1 MET A 78 4.520 18.904 -3.679 1.00 23.25 H new ATOM 0 HE2 MET A 78 5.374 17.617 -4.562 1.00 23.25 H new ATOM 0 HE3 MET A 78 4.397 18.809 -5.451 1.00 23.25 H new ATOM 1262 N LYS A 79 0.406 16.498 -8.476 1.00 24.00 N ATOM 1263 CA LYS A 79 0.416 17.446 -9.598 1.00 23.34 C ATOM 1264 C LYS A 79 -0.649 18.536 -9.427 1.00 13.33 C ATOM 1265 O LYS A 79 -0.500 19.646 -9.934 1.00 4.44 O ATOM 1266 CB LYS A 79 0.236 16.728 -10.948 1.00 23.12 C ATOM 1267 CG LYS A 79 -1.182 16.253 -11.235 1.00 73.11 C ATOM 1268 CD LYS A 79 -1.267 15.544 -12.580 1.00 62.34 C ATOM 1269 CE LYS A 79 -2.694 15.122 -12.906 1.00 10.35 C ATOM 1270 NZ LYS A 79 -3.578 16.286 -13.170 1.00 73.34 N ATOM 0 H LYS A 79 0.196 15.534 -8.735 1.00 24.00 H new ATOM 0 HA LYS A 79 1.395 17.926 -9.596 1.00 23.34 H new ATOM 0 HB2 LYS A 79 0.547 17.402 -11.746 1.00 23.12 H new ATOM 0 HB3 LYS A 79 0.905 15.868 -10.978 1.00 23.12 H new ATOM 0 HG2 LYS A 79 -1.508 15.578 -10.444 1.00 73.11 H new ATOM 0 HG3 LYS A 79 -1.862 17.105 -11.227 1.00 73.11 H new ATOM 0 HD2 LYS A 79 -0.895 16.204 -13.363 1.00 62.34 H new ATOM 0 HD3 LYS A 79 -0.621 14.666 -12.570 1.00 62.34 H new ATOM 0 HE2 LYS A 79 -2.687 14.468 -13.778 1.00 10.35 H new ATOM 0 HE3 LYS A 79 -3.098 14.542 -12.076 1.00 10.35 H new ATOM 0 HZ1 LYS A 79 -4.493 15.952 -13.534 1.00 73.34 H new ATOM 0 HZ2 LYS A 79 -3.729 16.815 -12.287 1.00 73.34 H new ATOM 0 HZ3 LYS A 79 -3.132 16.908 -13.874 1.00 73.34 H new ATOM 1284 N THR A 80 -1.709 18.217 -8.704 1.00 2.12 N ATOM 1285 CA THR A 80 -2.777 19.166 -8.475 1.00 32.50 C ATOM 1286 C THR A 80 -2.766 19.653 -7.017 1.00 15.43 C ATOM 1287 O THR A 80 -3.728 20.265 -6.537 1.00 31.40 O ATOM 1288 CB THR A 80 -4.163 18.550 -8.836 1.00 41.31 C ATOM 1289 OG1 THR A 80 -5.187 19.552 -8.770 1.00 44.01 O ATOM 1290 CG2 THR A 80 -4.517 17.400 -7.902 1.00 55.32 C ATOM 0 H THR A 80 -1.850 17.306 -8.267 1.00 2.12 H new ATOM 0 HA THR A 80 -2.609 20.023 -9.127 1.00 32.50 H new ATOM 0 HB THR A 80 -4.097 18.163 -9.853 1.00 41.31 H new ATOM 0 HG1 THR A 80 -5.034 20.126 -7.990 1.00 44.01 H new ATOM 0 HG21 THR A 80 -5.489 16.992 -8.180 1.00 55.32 H new ATOM 0 HG22 THR A 80 -3.760 16.620 -7.982 1.00 55.32 H new ATOM 0 HG23 THR A 80 -4.556 17.764 -6.875 1.00 55.32 H new ATOM 1298 N TYR A 81 -1.673 19.382 -6.318 1.00 62.23 N ATOM 1299 CA TYR A 81 -1.527 19.802 -4.937 1.00 72.41 C ATOM 1300 C TYR A 81 -0.385 20.800 -4.802 1.00 22.14 C ATOM 1301 O TYR A 81 0.754 20.501 -5.154 1.00 71.33 O ATOM 1302 CB TYR A 81 -1.286 18.595 -4.030 1.00 2.41 C ATOM 1303 CG TYR A 81 -1.224 18.936 -2.558 1.00 2.31 C ATOM 1304 CD1 TYR A 81 -2.354 19.373 -1.883 1.00 45.20 C ATOM 1305 CD2 TYR A 81 -0.038 18.824 -1.845 1.00 63.01 C ATOM 1306 CE1 TYR A 81 -2.305 19.685 -0.540 1.00 10.15 C ATOM 1307 CE2 TYR A 81 0.016 19.133 -0.499 1.00 30.23 C ATOM 1308 CZ TYR A 81 -1.119 19.564 0.147 1.00 65.30 C ATOM 1309 OH TYR A 81 -1.074 19.864 1.495 1.00 53.31 O ATOM 0 H TYR A 81 -0.872 18.871 -6.689 1.00 62.23 H new ATOM 0 HA TYR A 81 -2.452 20.288 -4.627 1.00 72.41 H new ATOM 0 HB2 TYR A 81 -2.082 17.868 -4.191 1.00 2.41 H new ATOM 0 HB3 TYR A 81 -0.352 18.115 -4.321 1.00 2.41 H new ATOM 0 HD1 TYR A 81 -3.287 19.471 -2.417 1.00 45.20 H new ATOM 0 HD2 TYR A 81 0.856 18.490 -2.350 1.00 63.01 H new ATOM 0 HE1 TYR A 81 -3.195 20.023 -0.030 1.00 10.15 H new ATOM 0 HE2 TYR A 81 0.945 19.036 0.043 1.00 30.23 H new ATOM 0 HH TYR A 81 -0.164 19.726 1.831 1.00 53.31 H new ATOM 1319 N ILE A 82 -0.692 21.981 -4.308 1.00 50.20 N ATOM 1320 CA ILE A 82 0.319 23.004 -4.117 1.00 11.24 C ATOM 1321 C ILE A 82 0.610 23.198 -2.629 1.00 32.55 C ATOM 1322 O ILE A 82 -0.149 23.860 -1.919 1.00 31.01 O ATOM 1323 CB ILE A 82 -0.110 24.355 -4.746 1.00 64.13 C ATOM 1324 CG1 ILE A 82 -0.420 24.180 -6.241 1.00 71.35 C ATOM 1325 CG2 ILE A 82 0.973 25.414 -4.548 1.00 53.35 C ATOM 1326 CD1 ILE A 82 0.750 23.659 -7.056 1.00 33.40 C ATOM 0 H ILE A 82 -1.634 22.258 -4.031 1.00 50.20 H new ATOM 0 HA ILE A 82 1.224 22.665 -4.621 1.00 11.24 H new ATOM 0 HB ILE A 82 -1.015 24.692 -4.241 1.00 64.13 H new ATOM 0 HG12 ILE A 82 -1.260 23.494 -6.350 1.00 71.35 H new ATOM 0 HG13 ILE A 82 -0.737 25.139 -6.651 1.00 71.35 H new ATOM 0 HG21 ILE A 82 0.650 26.353 -4.997 1.00 53.35 H new ATOM 0 HG22 ILE A 82 1.146 25.562 -3.482 1.00 53.35 H new ATOM 0 HG23 ILE A 82 1.897 25.083 -5.023 1.00 53.35 H new ATOM 0 HD11 ILE A 82 0.452 23.563 -8.100 1.00 33.40 H new ATOM 0 HD12 ILE A 82 1.585 24.355 -6.980 1.00 33.40 H new ATOM 0 HD13 ILE A 82 1.054 22.684 -6.674 1.00 33.40 H new ATOM 1338 N PRO A 83 1.691 22.589 -2.132 1.00 63.30 N ATOM 1339 CA PRO A 83 2.090 22.703 -0.746 1.00 32.33 C ATOM 1340 C PRO A 83 3.074 23.855 -0.525 1.00 63.25 C ATOM 1341 O PRO A 83 3.900 24.149 -1.394 1.00 62.12 O ATOM 1342 CB PRO A 83 2.776 21.365 -0.484 1.00 62.32 C ATOM 1343 CG PRO A 83 3.324 20.926 -1.814 1.00 60.12 C ATOM 1344 CD PRO A 83 2.608 21.723 -2.888 1.00 63.04 C ATOM 0 HA PRO A 83 1.249 22.912 -0.085 1.00 32.33 H new ATOM 0 HB2 PRO A 83 3.572 21.470 0.253 1.00 62.32 H new ATOM 0 HB3 PRO A 83 2.071 20.633 -0.089 1.00 62.32 H new ATOM 0 HG2 PRO A 83 4.399 21.098 -1.861 1.00 60.12 H new ATOM 0 HG3 PRO A 83 3.166 19.857 -1.960 1.00 60.12 H new ATOM 0 HD2 PRO A 83 3.308 22.307 -3.486 1.00 63.04 H new ATOM 0 HD3 PRO A 83 2.068 21.072 -3.575 1.00 63.04 H new ATOM 1352 N PRO A 84 2.990 24.536 0.633 1.00 64.25 N ATOM 1353 CA PRO A 84 3.907 25.625 0.971 1.00 30.23 C ATOM 1354 C PRO A 84 5.361 25.168 0.905 1.00 24.14 C ATOM 1355 O PRO A 84 5.713 24.113 1.452 1.00 24.40 O ATOM 1356 CB PRO A 84 3.532 25.980 2.415 1.00 22.51 C ATOM 1357 CG PRO A 84 2.129 25.511 2.571 1.00 31.23 C ATOM 1358 CD PRO A 84 1.990 24.303 1.690 1.00 32.11 C ATOM 0 HA PRO A 84 3.822 26.465 0.281 1.00 30.23 H new ATOM 0 HB2 PRO A 84 4.195 25.489 3.128 1.00 22.51 H new ATOM 0 HB3 PRO A 84 3.612 27.053 2.592 1.00 22.51 H new ATOM 0 HG2 PRO A 84 1.915 25.261 3.610 1.00 31.23 H new ATOM 0 HG3 PRO A 84 1.424 26.289 2.279 1.00 31.23 H new ATOM 0 HD2 PRO A 84 2.190 23.382 2.237 1.00 32.11 H new ATOM 0 HD3 PRO A 84 0.984 24.218 1.280 1.00 32.11 H new ATOM 1366 N LYS A 85 6.195 25.944 0.223 1.00 55.14 N ATOM 1367 CA LYS A 85 7.607 25.609 0.079 1.00 43.42 C ATOM 1368 C LYS A 85 8.298 25.589 1.439 1.00 52.11 C ATOM 1369 O LYS A 85 7.903 26.313 2.358 1.00 20.45 O ATOM 1370 CB LYS A 85 8.310 26.588 -0.878 1.00 64.42 C ATOM 1371 CG LYS A 85 8.347 28.030 -0.395 1.00 1.34 C ATOM 1372 CD LYS A 85 8.964 28.944 -1.443 1.00 52.23 C ATOM 1373 CE LYS A 85 9.125 30.370 -0.930 1.00 71.52 C ATOM 1374 NZ LYS A 85 7.837 30.962 -0.487 1.00 63.13 N ATOM 0 H LYS A 85 5.918 26.810 -0.239 1.00 55.14 H new ATOM 0 HA LYS A 85 7.676 24.610 -0.352 1.00 43.42 H new ATOM 0 HB2 LYS A 85 9.332 26.246 -1.039 1.00 64.42 H new ATOM 0 HB3 LYS A 85 7.807 26.555 -1.844 1.00 64.42 H new ATOM 0 HG2 LYS A 85 7.336 28.366 -0.165 1.00 1.34 H new ATOM 0 HG3 LYS A 85 8.921 28.092 0.529 1.00 1.34 H new ATOM 0 HD2 LYS A 85 9.937 28.552 -1.738 1.00 52.23 H new ATOM 0 HD3 LYS A 85 8.338 28.948 -2.335 1.00 52.23 H new ATOM 0 HE2 LYS A 85 9.830 30.376 -0.098 1.00 71.52 H new ATOM 0 HE3 LYS A 85 9.555 30.990 -1.717 1.00 71.52 H new ATOM 0 HZ1 LYS A 85 7.977 31.967 -0.259 1.00 63.13 H new ATOM 0 HZ2 LYS A 85 7.134 30.874 -1.249 1.00 63.13 H new ATOM 0 HZ3 LYS A 85 7.496 30.460 0.358 1.00 63.13 H new ATOM 1388 N GLY A 86 9.312 24.760 1.566 1.00 2.11 N ATOM 1389 CA GLY A 86 9.999 24.632 2.827 1.00 10.23 C ATOM 1390 C GLY A 86 11.149 25.597 2.964 1.00 21.22 C ATOM 1391 O GLY A 86 11.306 26.244 4.005 1.00 44.42 O ATOM 0 H GLY A 86 9.674 24.170 0.817 1.00 2.11 H new ATOM 0 HA2 GLY A 86 9.292 24.798 3.640 1.00 10.23 H new ATOM 0 HA3 GLY A 86 10.371 23.613 2.932 1.00 10.23 H new ATOM 1395 N GLU A 87 11.954 25.702 1.922 1.00 12.12 N ATOM 1396 CA GLU A 87 13.120 26.571 1.941 1.00 14.12 C ATOM 1397 C GLU A 87 13.264 27.288 0.606 1.00 43.54 C ATOM 1398 O GLU A 87 12.732 28.402 0.469 1.00 0.00 O ATOM 1399 CB GLU A 87 14.384 25.750 2.233 1.00 73.13 C ATOM 1400 CG GLU A 87 14.313 24.950 3.525 1.00 62.00 C ATOM 1401 CD GLU A 87 15.455 23.981 3.672 1.00 21.20 C ATOM 1402 OE1 GLU A 87 15.450 22.940 2.980 1.00 74.01 O ATOM 1403 OE2 GLU A 87 16.363 24.245 4.479 1.00 60.14 O ATOM 1404 OXT GLU A 87 13.897 26.721 -0.312 1.00 0.00 O ATOM 0 H GLU A 87 11.822 25.194 1.047 1.00 12.12 H new ATOM 0 HA GLU A 87 12.989 27.314 2.728 1.00 14.12 H new ATOM 0 HB2 GLU A 87 14.561 25.066 1.403 1.00 73.13 H new ATOM 0 HB3 GLU A 87 15.240 26.423 2.280 1.00 73.13 H new ATOM 0 HG2 GLU A 87 14.312 25.636 4.372 1.00 62.00 H new ATOM 0 HG3 GLU A 87 13.371 24.403 3.557 1.00 62.00 H new TER 1411 GLU A 87