USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=31 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 Single : A 1 GLY N :NH3+ -130:sc= 0.0713 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=-0.0069) USER MOD Single : A 4 MET CE :methyl 159:sc= -0.123 (180deg=-0.586) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.0329 (180deg=-0.256) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0809 (180deg=-0.397) USER MOD Single : A 15 LYS NZ :NH3+ -116:sc= 1.2 (180deg=-0.0557) USER MOD Single : A 16 MET CE :methyl 157:sc= -0.166 (180deg=-0.793) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 131:sc= 1.3 USER MOD Single : A 19 TYR OH : rot 70:sc= -0.977 USER MOD Single : A 24 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.66) USER MOD Single : A 25 THR OG1 : rot 83:sc= 0.84 USER MOD Single : A 30 HIS : no HD1:sc= -0.0563 K(o=-0.056,f=-0.61) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -0.0817 (180deg=-0.408) USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= 1.45 (180deg=0.706) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc=-0.00234 X(o=-0.0023,f=-0.0023) USER MOD Single : A 38 SER OG : rot 180:sc= -0.687 USER MOD Single : A 40 ASN : amide:sc= 0.321 K(o=0.32,f=-1.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 83:sc= 2.21 USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00164) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 1.11 (180deg=1.11) USER MOD Single : A 49 SER OG : rot -86:sc= 1.27 USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.0704 (180deg=-0.419) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.006 USER MOD Single : A 55 MET CE :methyl -177:sc= -1.16 (180deg=-1.2) 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+ -118:sc= 0.0158 (180deg=-0.352) USER MOD Single : A 66 MET CE :methyl 173:sc= -1.68 (180deg=-1.88!) USER MOD Single : A 68 LYS NZ :NH3+ 150:sc= 1.29 (180deg=1.19) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 1.11 (180deg=1.05) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -121:sc= -0.0229 (180deg=-1.1) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -42:sc= 0.194 USER MOD Single : A 81 TYR OH : rot 52:sc= 0.749 USER MOD Single : A 85 LYS NZ :NH3+ -109:sc= 1.03 (180deg=0.582) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.283 3.943 14.720 1.00 45.44 N ATOM 2 CA GLY A 1 -8.164 4.175 15.881 1.00 13.41 C ATOM 3 C GLY A 1 -9.449 4.854 15.487 1.00 51.23 C ATOM 4 O GLY A 1 -9.818 4.856 14.311 1.00 70.02 O ATOM 0 H1 GLY A 1 -6.968 2.952 14.716 1.00 45.44 H new ATOM 0 H2 GLY A 1 -7.804 4.145 13.843 1.00 45.44 H new ATOM 0 H3 GLY A 1 -6.455 4.569 14.782 1.00 45.44 H new ATOM 0 HA2 GLY A 1 -8.390 3.223 16.361 1.00 13.41 H new ATOM 0 HA3 GLY A 1 -7.641 4.787 16.616 1.00 13.41 H new ATOM 10 N SER A 2 -10.134 5.433 16.462 1.00 5.23 N ATOM 11 CA SER A 2 -11.382 6.125 16.205 1.00 64.14 C ATOM 12 C SER A 2 -11.113 7.557 15.762 1.00 75.05 C ATOM 13 O SER A 2 -11.751 8.064 14.843 1.00 5.30 O ATOM 14 CB SER A 2 -12.266 6.108 17.452 1.00 3.15 C ATOM 15 OG SER A 2 -12.536 4.773 17.862 1.00 74.34 O ATOM 0 H SER A 2 -9.843 5.436 17.440 1.00 5.23 H new ATOM 0 HA SER A 2 -11.907 5.608 15.402 1.00 64.14 H new ATOM 0 HB2 SER A 2 -11.773 6.649 18.260 1.00 3.15 H new ATOM 0 HB3 SER A 2 -13.203 6.626 17.246 1.00 3.15 H new ATOM 0 HG SER A 2 -13.102 4.785 18.662 1.00 74.34 H new ATOM 21 N HIS A 3 -10.156 8.197 16.411 1.00 5.14 N ATOM 22 CA HIS A 3 -9.782 9.555 16.060 1.00 14.53 C ATOM 23 C HIS A 3 -8.319 9.597 15.654 1.00 74.40 C ATOM 24 O HIS A 3 -7.466 9.026 16.330 1.00 73.43 O ATOM 25 CB HIS A 3 -10.070 10.546 17.221 1.00 34.31 C ATOM 26 CG HIS A 3 -9.244 10.345 18.465 1.00 71.13 C ATOM 27 ND1 HIS A 3 -9.693 9.652 19.568 1.00 0.13 N ATOM 28 CD2 HIS A 3 -7.997 10.768 18.779 1.00 60.13 C ATOM 29 CE1 HIS A 3 -8.760 9.659 20.501 1.00 64.31 C ATOM 30 NE2 HIS A 3 -7.724 10.329 20.046 1.00 21.23 N ATOM 0 H HIS A 3 -9.624 7.798 17.184 1.00 5.14 H new ATOM 0 HA HIS A 3 -10.392 9.871 15.214 1.00 14.53 H new ATOM 0 HB2 HIS A 3 -9.907 11.561 16.858 1.00 34.31 H new ATOM 0 HB3 HIS A 3 -11.124 10.468 17.489 1.00 34.31 H new ATOM 0 HD2 HIS A 3 -7.339 11.345 18.146 1.00 60.13 H new ATOM 0 HE1 HIS A 3 -8.835 9.194 21.473 1.00 64.31 H new ATOM 0 HE2 HIS A 3 -6.856 10.495 20.556 1.00 21.23 H new ATOM 39 N MET A 4 -8.038 10.250 14.554 1.00 21.52 N ATOM 40 CA MET A 4 -6.682 10.340 14.046 1.00 20.31 C ATOM 41 C MET A 4 -6.299 11.790 13.815 1.00 24.12 C ATOM 42 O MET A 4 -7.161 12.634 13.566 1.00 10.40 O ATOM 43 CB MET A 4 -6.542 9.533 12.745 1.00 44.14 C ATOM 44 CG MET A 4 -7.435 10.021 11.609 1.00 21.44 C ATOM 45 SD MET A 4 -7.357 8.965 10.144 1.00 51.14 S ATOM 46 CE MET A 4 -8.073 7.446 10.776 1.00 40.35 C ATOM 0 H MET A 4 -8.734 10.733 13.985 1.00 21.52 H new ATOM 0 HA MET A 4 -6.005 9.918 14.789 1.00 20.31 H new ATOM 0 HB2 MET A 4 -5.503 9.570 12.417 1.00 44.14 H new ATOM 0 HB3 MET A 4 -6.774 8.488 12.952 1.00 44.14 H new ATOM 0 HG2 MET A 4 -8.466 10.070 11.960 1.00 21.44 H new ATOM 0 HG3 MET A 4 -7.143 11.035 11.335 1.00 21.44 H new ATOM 0 HE1 MET A 4 -8.436 6.841 9.945 1.00 40.35 H new ATOM 0 HE2 MET A 4 -7.316 6.888 11.327 1.00 40.35 H new ATOM 0 HE3 MET A 4 -8.903 7.684 11.441 1.00 40.35 H new ATOM 56 N GLY A 5 -5.017 12.080 13.907 1.00 44.34 N ATOM 57 CA GLY A 5 -4.551 13.431 13.702 1.00 13.41 C ATOM 58 C GLY A 5 -4.340 13.742 12.241 1.00 65.14 C ATOM 59 O GLY A 5 -3.214 13.974 11.805 1.00 44.35 O ATOM 0 H GLY A 5 -4.286 11.402 14.121 1.00 44.34 H new ATOM 0 HA2 GLY A 5 -5.274 14.131 14.121 1.00 13.41 H new ATOM 0 HA3 GLY A 5 -3.616 13.578 14.242 1.00 13.41 H new ATOM 63 N LYS A 6 -5.422 13.735 11.482 1.00 1.32 N ATOM 64 CA LYS A 6 -5.364 14.013 10.060 1.00 43.53 C ATOM 65 C LYS A 6 -5.027 15.481 9.821 1.00 34.01 C ATOM 66 O LYS A 6 -5.796 16.374 10.193 1.00 21.32 O ATOM 67 CB LYS A 6 -6.700 13.664 9.399 1.00 71.24 C ATOM 68 CG LYS A 6 -6.709 13.830 7.889 1.00 74.24 C ATOM 69 CD LYS A 6 -8.104 13.625 7.323 1.00 52.03 C ATOM 70 CE LYS A 6 -8.121 13.758 5.807 1.00 13.22 C ATOM 71 NZ LYS A 6 -7.572 15.062 5.352 1.00 32.25 N ATOM 0 H LYS A 6 -6.359 13.538 11.832 1.00 1.32 H new ATOM 0 HA LYS A 6 -4.581 13.398 9.616 1.00 43.53 H new ATOM 0 HB2 LYS A 6 -6.954 12.632 9.641 1.00 71.24 H new ATOM 0 HB3 LYS A 6 -7.480 14.293 9.827 1.00 71.24 H new ATOM 0 HG2 LYS A 6 -6.350 14.825 7.628 1.00 74.24 H new ATOM 0 HG3 LYS A 6 -6.022 13.115 7.438 1.00 74.24 H new ATOM 0 HD2 LYS A 6 -8.470 12.638 7.606 1.00 52.03 H new ATOM 0 HD3 LYS A 6 -8.785 14.355 7.760 1.00 52.03 H new ATOM 0 HE2 LYS A 6 -7.540 12.948 5.366 1.00 13.22 H new ATOM 0 HE3 LYS A 6 -9.144 13.650 5.446 1.00 13.22 H new ATOM 0 HZ1 LYS A 6 -7.786 15.196 4.343 1.00 32.25 H new ATOM 0 HZ2 LYS A 6 -8.004 15.831 5.903 1.00 32.25 H new ATOM 0 HZ3 LYS A 6 -6.541 15.072 5.491 1.00 32.25 H new ATOM 85 N GLY A 7 -3.875 15.725 9.235 1.00 63.33 N ATOM 86 CA GLY A 7 -3.452 17.077 8.959 1.00 33.23 C ATOM 87 C GLY A 7 -2.314 17.120 7.969 1.00 30.44 C ATOM 88 O GLY A 7 -1.354 17.871 8.148 1.00 11.23 O ATOM 0 H GLY A 7 -3.216 15.004 8.941 1.00 63.33 H new ATOM 0 HA2 GLY A 7 -4.294 17.648 8.569 1.00 33.23 H new ATOM 0 HA3 GLY A 7 -3.144 17.558 9.888 1.00 33.23 H new ATOM 92 N ASP A 8 -2.422 16.315 6.924 1.00 14.22 N ATOM 93 CA ASP A 8 -1.392 16.241 5.893 1.00 14.34 C ATOM 94 C ASP A 8 -1.307 17.546 5.120 1.00 71.21 C ATOM 95 O ASP A 8 -2.312 18.236 4.941 1.00 31.45 O ATOM 96 CB ASP A 8 -1.677 15.086 4.918 1.00 12.14 C ATOM 97 CG ASP A 8 -1.553 13.723 5.559 1.00 32.33 C ATOM 98 OD1 ASP A 8 -2.542 13.253 6.158 1.00 52.01 O ATOM 99 OD2 ASP A 8 -0.466 13.111 5.467 1.00 61.24 O ATOM 0 H ASP A 8 -3.218 15.698 6.764 1.00 14.22 H new ATOM 0 HA ASP A 8 -0.439 16.060 6.391 1.00 14.34 H new ATOM 0 HB2 ASP A 8 -2.683 15.200 4.513 1.00 12.14 H new ATOM 0 HB3 ASP A 8 -0.986 15.150 4.077 1.00 12.14 H new ATOM 104 N PRO A 9 -0.103 17.900 4.633 1.00 53.30 N ATOM 105 CA PRO A 9 0.113 19.121 3.841 1.00 3.34 C ATOM 106 C PRO A 9 -0.441 18.990 2.418 1.00 0.00 C ATOM 107 O PRO A 9 -0.152 19.815 1.550 1.00 12.20 O ATOM 108 CB PRO A 9 1.639 19.248 3.805 1.00 14.22 C ATOM 109 CG PRO A 9 2.133 17.850 3.937 1.00 21.13 C ATOM 110 CD PRO A 9 1.153 17.148 4.837 1.00 55.22 C ATOM 0 HA PRO A 9 -0.394 19.985 4.270 1.00 3.34 H new ATOM 0 HB2 PRO A 9 1.978 19.702 2.874 1.00 14.22 H new ATOM 0 HB3 PRO A 9 2.004 19.876 4.617 1.00 14.22 H new ATOM 0 HG2 PRO A 9 2.188 17.362 2.964 1.00 21.13 H new ATOM 0 HG3 PRO A 9 3.137 17.829 4.361 1.00 21.13 H new ATOM 0 HD2 PRO A 9 1.041 16.098 4.567 1.00 55.22 H new ATOM 0 HD3 PRO A 9 1.473 17.176 5.879 1.00 55.22 H new ATOM 118 N LYS A 10 -1.230 17.928 2.202 1.00 41.43 N ATOM 119 CA LYS A 10 -1.876 17.617 0.913 1.00 3.30 C ATOM 120 C LYS A 10 -0.883 17.084 -0.112 1.00 70.22 C ATOM 121 O LYS A 10 -1.266 16.710 -1.220 1.00 4.44 O ATOM 122 CB LYS A 10 -2.657 18.817 0.348 1.00 3.52 C ATOM 123 CG LYS A 10 -3.722 19.370 1.294 1.00 44.32 C ATOM 124 CD LYS A 10 -4.682 18.289 1.783 1.00 61.54 C ATOM 125 CE LYS A 10 -5.480 17.669 0.644 1.00 11.31 C ATOM 126 NZ LYS A 10 -6.389 16.603 1.131 1.00 74.32 N ATOM 0 H LYS A 10 -1.443 17.246 2.930 1.00 41.43 H new ATOM 0 HA LYS A 10 -2.596 16.825 1.118 1.00 3.30 H new ATOM 0 HB2 LYS A 10 -1.953 19.613 0.106 1.00 3.52 H new ATOM 0 HB3 LYS A 10 -3.135 18.519 -0.585 1.00 3.52 H new ATOM 0 HG2 LYS A 10 -3.236 19.836 2.151 1.00 44.32 H new ATOM 0 HG3 LYS A 10 -4.287 20.151 0.785 1.00 44.32 H new ATOM 0 HD2 LYS A 10 -4.118 17.510 2.295 1.00 61.54 H new ATOM 0 HD3 LYS A 10 -5.368 18.718 2.513 1.00 61.54 H new ATOM 0 HE2 LYS A 10 -6.061 18.443 0.143 1.00 11.31 H new ATOM 0 HE3 LYS A 10 -4.796 17.254 -0.097 1.00 11.31 H new ATOM 0 HZ1 LYS A 10 -6.916 16.203 0.329 1.00 74.32 H new ATOM 0 HZ2 LYS A 10 -5.831 15.853 1.587 1.00 74.32 H new ATOM 0 HZ3 LYS A 10 -7.057 17.004 1.819 1.00 74.32 H new ATOM 140 N LYS A 11 0.381 17.043 0.262 1.00 64.23 N ATOM 141 CA LYS A 11 1.407 16.513 -0.608 1.00 5.54 C ATOM 142 C LYS A 11 1.468 15.006 -0.462 1.00 51.55 C ATOM 143 O LYS A 11 1.592 14.498 0.656 1.00 44.22 O ATOM 144 CB LYS A 11 2.777 17.110 -0.271 1.00 1.14 C ATOM 145 CG LYS A 11 3.904 16.555 -1.131 1.00 31.13 C ATOM 146 CD LYS A 11 5.267 17.007 -0.642 1.00 30.51 C ATOM 147 CE LYS A 11 6.383 16.388 -1.475 1.00 20.20 C ATOM 148 NZ LYS A 11 6.352 14.900 -1.444 1.00 2.25 N ATOM 0 H LYS A 11 0.721 17.372 1.166 1.00 64.23 H new ATOM 0 HA LYS A 11 1.155 16.779 -1.635 1.00 5.54 H new ATOM 0 HB2 LYS A 11 2.734 18.192 -0.394 1.00 1.14 H new ATOM 0 HB3 LYS A 11 3.001 16.917 0.778 1.00 1.14 H new ATOM 0 HG2 LYS A 11 3.860 15.466 -1.127 1.00 31.13 H new ATOM 0 HG3 LYS A 11 3.764 16.876 -2.163 1.00 31.13 H new ATOM 0 HD2 LYS A 11 5.332 18.094 -0.692 1.00 30.51 H new ATOM 0 HD3 LYS A 11 5.392 16.728 0.404 1.00 30.51 H new ATOM 0 HE2 LYS A 11 6.296 16.730 -2.506 1.00 20.20 H new ATOM 0 HE3 LYS A 11 7.347 16.737 -1.104 1.00 20.20 H new ATOM 0 HZ1 LYS A 11 7.261 14.527 -1.785 1.00 2.25 H new ATOM 0 HZ2 LYS A 11 6.189 14.576 -0.469 1.00 2.25 H new ATOM 0 HZ3 LYS A 11 5.585 14.556 -2.056 1.00 2.25 H new ATOM 162 N PRO A 12 1.371 14.269 -1.569 1.00 31.02 N ATOM 163 CA PRO A 12 1.448 12.816 -1.538 1.00 24.32 C ATOM 164 C PRO A 12 2.816 12.346 -1.063 1.00 3.32 C ATOM 165 O PRO A 12 3.849 12.657 -1.677 1.00 54.21 O ATOM 166 CB PRO A 12 1.211 12.403 -2.996 1.00 13.31 C ATOM 167 CG PRO A 12 1.547 13.614 -3.791 1.00 63.12 C ATOM 168 CD PRO A 12 1.178 14.785 -2.933 1.00 61.33 C ATOM 0 HA PRO A 12 0.726 12.377 -0.849 1.00 24.32 H new ATOM 0 HB2 PRO A 12 1.841 11.558 -3.276 1.00 13.31 H new ATOM 0 HB3 PRO A 12 0.177 12.097 -3.158 1.00 13.31 H new ATOM 0 HG2 PRO A 12 2.607 13.634 -4.043 1.00 63.12 H new ATOM 0 HG3 PRO A 12 0.995 13.629 -4.731 1.00 63.12 H new ATOM 0 HD2 PRO A 12 1.814 15.648 -3.132 1.00 61.33 H new ATOM 0 HD3 PRO A 12 0.149 15.102 -3.103 1.00 61.33 H new ATOM 176 N ARG A 13 2.822 11.622 0.033 1.00 41.31 N ATOM 177 CA ARG A 13 4.052 11.100 0.595 1.00 24.10 C ATOM 178 C ARG A 13 4.475 9.857 -0.170 1.00 2.34 C ATOM 179 O ARG A 13 5.662 9.574 -0.327 1.00 13.41 O ATOM 180 CB ARG A 13 3.854 10.781 2.086 1.00 24.13 C ATOM 181 CG ARG A 13 2.758 9.759 2.353 1.00 41.53 C ATOM 182 CD ARG A 13 2.474 9.606 3.834 1.00 34.45 C ATOM 183 NE ARG A 13 1.521 8.520 4.090 1.00 44.43 N ATOM 184 CZ ARG A 13 0.216 8.691 4.355 1.00 51.32 C ATOM 185 NH1 ARG A 13 -0.317 9.909 4.372 1.00 33.32 N ATOM 186 NH2 ARG A 13 -0.554 7.635 4.592 1.00 31.42 N ATOM 0 H ARG A 13 1.982 11.378 0.559 1.00 41.31 H new ATOM 0 HA ARG A 13 4.839 11.849 0.507 1.00 24.10 H new ATOM 0 HB2 ARG A 13 4.793 10.409 2.497 1.00 24.13 H new ATOM 0 HB3 ARG A 13 3.616 11.703 2.617 1.00 24.13 H new ATOM 0 HG2 ARG A 13 1.846 10.062 1.838 1.00 41.53 H new ATOM 0 HG3 ARG A 13 3.052 8.795 1.939 1.00 41.53 H new ATOM 0 HD2 ARG A 13 3.405 9.407 4.365 1.00 34.45 H new ATOM 0 HD3 ARG A 13 2.076 10.541 4.228 1.00 34.45 H new ATOM 0 HE ARG A 13 1.876 7.564 4.065 1.00 44.43 H new ATOM 0 HH11 ARG A 13 0.267 10.724 4.183 1.00 33.32 H new ATOM 0 HH12 ARG A 13 -1.310 10.029 4.574 1.00 33.32 H new ATOM 0 HH21 ARG A 13 -0.154 6.697 4.572 1.00 31.42 H new ATOM 0 HH22 ARG A 13 -1.546 7.762 4.794 1.00 31.42 H new ATOM 200 N GLY A 14 3.487 9.115 -0.623 1.00 30.54 N ATOM 201 CA GLY A 14 3.737 7.928 -1.381 1.00 65.40 C ATOM 202 C GLY A 14 2.673 6.887 -1.175 1.00 60.40 C ATOM 203 O GLY A 14 1.483 7.153 -1.372 1.00 15.25 O ATOM 0 H GLY A 14 2.500 9.323 -0.473 1.00 30.54 H new ATOM 0 HA2 GLY A 14 3.795 8.181 -2.440 1.00 65.40 H new ATOM 0 HA3 GLY A 14 4.706 7.516 -1.098 1.00 65.40 H new ATOM 207 N LYS A 15 3.101 5.715 -0.761 1.00 52.02 N ATOM 208 CA LYS A 15 2.225 4.577 -0.545 1.00 3.44 C ATOM 209 C LYS A 15 3.064 3.433 -0.007 1.00 11.03 C ATOM 210 O LYS A 15 4.208 3.646 0.404 1.00 72.31 O ATOM 211 CB LYS A 15 1.578 4.150 -1.862 1.00 61.35 C ATOM 212 CG LYS A 15 2.586 3.691 -2.893 1.00 14.41 C ATOM 213 CD LYS A 15 1.918 3.176 -4.135 1.00 3.55 C ATOM 214 CE LYS A 15 2.933 2.566 -5.069 1.00 25.20 C ATOM 215 NZ LYS A 15 2.317 2.122 -6.330 1.00 50.21 N ATOM 0 H LYS A 15 4.082 5.519 -0.561 1.00 52.02 H new ATOM 0 HA LYS A 15 1.438 4.845 0.160 1.00 3.44 H new ATOM 0 HB2 LYS A 15 0.871 3.343 -1.669 1.00 61.35 H new ATOM 0 HB3 LYS A 15 1.006 4.985 -2.267 1.00 61.35 H new ATOM 0 HG2 LYS A 15 3.245 4.520 -3.152 1.00 14.41 H new ATOM 0 HG3 LYS A 15 3.212 2.908 -2.466 1.00 14.41 H new ATOM 0 HD2 LYS A 15 1.167 2.432 -3.869 1.00 3.55 H new ATOM 0 HD3 LYS A 15 1.396 3.990 -4.638 1.00 3.55 H new ATOM 0 HE2 LYS A 15 3.714 3.295 -5.283 1.00 25.20 H new ATOM 0 HE3 LYS A 15 3.413 1.718 -4.581 1.00 25.20 H new ATOM 0 HZ1 LYS A 15 2.403 1.089 -6.414 1.00 50.21 H new ATOM 0 HZ2 LYS A 15 1.311 2.387 -6.337 1.00 50.21 H new ATOM 0 HZ3 LYS A 15 2.800 2.576 -7.131 1.00 50.21 H new ATOM 229 N MET A 16 2.521 2.221 -0.017 1.00 72.11 N ATOM 230 CA MET A 16 3.248 1.059 0.438 1.00 32.41 C ATOM 231 C MET A 16 4.045 0.476 -0.723 1.00 22.15 C ATOM 232 O MET A 16 3.733 0.733 -1.889 1.00 44.01 O ATOM 233 CB MET A 16 2.294 -0.003 0.996 1.00 53.44 C ATOM 234 CG MET A 16 1.410 0.464 2.150 1.00 72.32 C ATOM 235 SD MET A 16 0.110 1.623 1.639 1.00 3.11 S ATOM 236 CE MET A 16 -0.845 0.604 0.510 1.00 4.52 C ATOM 0 H MET A 16 1.573 2.025 -0.339 1.00 72.11 H new ATOM 0 HA MET A 16 3.924 1.363 1.237 1.00 32.41 H new ATOM 0 HB2 MET A 16 1.654 -0.355 0.187 1.00 53.44 H new ATOM 0 HB3 MET A 16 2.882 -0.857 1.332 1.00 53.44 H new ATOM 0 HG2 MET A 16 0.948 -0.405 2.619 1.00 72.32 H new ATOM 0 HG3 MET A 16 2.034 0.940 2.906 1.00 72.32 H new ATOM 0 HE1 MET A 16 -1.859 0.997 0.434 1.00 4.52 H new ATOM 0 HE2 MET A 16 -0.377 0.614 -0.474 1.00 4.52 H new ATOM 0 HE3 MET A 16 -0.880 -0.419 0.884 1.00 4.52 H new ATOM 246 N SER A 17 5.068 -0.291 -0.406 1.00 22.42 N ATOM 247 CA SER A 17 5.914 -0.901 -1.422 1.00 43.43 C ATOM 248 C SER A 17 5.201 -2.094 -2.093 1.00 11.21 C ATOM 249 O SER A 17 3.991 -2.291 -1.915 1.00 22.21 O ATOM 250 CB SER A 17 7.215 -1.362 -0.773 1.00 24.52 C ATOM 251 OG SER A 17 7.769 -0.333 0.034 1.00 55.21 O ATOM 0 H SER A 17 5.338 -0.510 0.553 1.00 22.42 H new ATOM 0 HA SER A 17 6.128 -0.163 -2.196 1.00 43.43 H new ATOM 0 HB2 SER A 17 7.029 -2.247 -0.165 1.00 24.52 H new ATOM 0 HB3 SER A 17 7.929 -1.650 -1.544 1.00 24.52 H new ATOM 0 HG SER A 17 8.602 -0.650 0.442 1.00 55.21 H new ATOM 257 N SER A 18 5.959 -2.902 -2.831 1.00 73.11 N ATOM 258 CA SER A 18 5.414 -4.072 -3.511 1.00 44.12 C ATOM 259 C SER A 18 4.944 -5.122 -2.516 1.00 62.10 C ATOM 260 O SER A 18 4.106 -5.967 -2.840 1.00 42.00 O ATOM 261 CB SER A 18 6.449 -4.657 -4.456 1.00 33.24 C ATOM 262 OG SER A 18 6.935 -3.662 -5.345 1.00 73.24 O ATOM 0 H SER A 18 6.960 -2.765 -2.973 1.00 73.11 H new ATOM 0 HA SER A 18 4.547 -3.754 -4.090 1.00 44.12 H new ATOM 0 HB2 SER A 18 7.276 -5.076 -3.883 1.00 33.24 H new ATOM 0 HB3 SER A 18 6.008 -5.476 -5.024 1.00 33.24 H new ATOM 0 HG SER A 18 7.915 -3.686 -5.359 1.00 73.24 H new ATOM 268 N TYR A 19 5.509 -5.074 -1.314 1.00 42.31 N ATOM 269 CA TYR A 19 5.099 -5.936 -0.215 1.00 71.21 C ATOM 270 C TYR A 19 3.577 -5.914 -0.059 1.00 52.32 C ATOM 271 O TYR A 19 2.943 -6.958 0.054 1.00 74.12 O ATOM 272 CB TYR A 19 5.787 -5.457 1.072 1.00 1.44 C ATOM 273 CG TYR A 19 5.304 -6.111 2.350 1.00 25.44 C ATOM 274 CD1 TYR A 19 5.601 -7.437 2.636 1.00 32.51 C ATOM 275 CD2 TYR A 19 4.563 -5.390 3.279 1.00 44.15 C ATOM 276 CE1 TYR A 19 5.171 -8.026 3.809 1.00 10.15 C ATOM 277 CE2 TYR A 19 4.133 -5.968 4.455 1.00 74.55 C ATOM 278 CZ TYR A 19 4.438 -7.285 4.717 1.00 74.50 C ATOM 279 OH TYR A 19 4.012 -7.864 5.897 1.00 20.44 O ATOM 0 H TYR A 19 6.266 -4.434 -1.076 1.00 42.31 H new ATOM 0 HA TYR A 19 5.396 -6.964 -0.422 1.00 71.21 H new ATOM 0 HB2 TYR A 19 6.859 -5.632 0.977 1.00 1.44 H new ATOM 0 HB3 TYR A 19 5.646 -4.380 1.160 1.00 1.44 H new ATOM 0 HD1 TYR A 19 6.177 -8.017 1.930 1.00 32.51 H new ATOM 0 HD2 TYR A 19 4.319 -4.358 3.076 1.00 44.15 H new ATOM 0 HE1 TYR A 19 5.406 -9.060 4.016 1.00 10.15 H new ATOM 0 HE2 TYR A 19 3.560 -5.391 5.166 1.00 74.55 H new ATOM 0 HH TYR A 19 4.783 -8.023 6.480 1.00 20.44 H new ATOM 289 N ALA A 20 3.005 -4.714 -0.084 1.00 70.12 N ATOM 290 CA ALA A 20 1.562 -4.545 0.034 1.00 54.33 C ATOM 291 C ALA A 20 0.831 -5.265 -1.091 1.00 3.41 C ATOM 292 O ALA A 20 -0.176 -5.916 -0.862 1.00 34.31 O ATOM 293 CB ALA A 20 1.198 -3.074 0.035 1.00 75.50 C ATOM 0 H ALA A 20 3.522 -3.841 -0.185 1.00 70.12 H new ATOM 0 HA ALA A 20 1.250 -4.986 0.981 1.00 54.33 H new ATOM 0 HB1 ALA A 20 0.117 -2.967 0.124 1.00 75.50 H new ATOM 0 HB2 ALA A 20 1.682 -2.580 0.877 1.00 75.50 H new ATOM 0 HB3 ALA A 20 1.533 -2.616 -0.896 1.00 75.50 H new ATOM 299 N PHE A 21 1.353 -5.142 -2.305 1.00 3.32 N ATOM 300 CA PHE A 21 0.764 -5.796 -3.477 1.00 30.53 C ATOM 301 C PHE A 21 0.705 -7.311 -3.305 1.00 55.52 C ATOM 302 O PHE A 21 -0.233 -7.969 -3.769 1.00 64.14 O ATOM 303 CB PHE A 21 1.534 -5.420 -4.742 1.00 31.35 C ATOM 304 CG PHE A 21 1.375 -3.978 -5.115 1.00 2.21 C ATOM 305 CD1 PHE A 21 2.047 -2.987 -4.416 1.00 52.22 C ATOM 306 CD2 PHE A 21 0.540 -3.609 -6.152 1.00 62.33 C ATOM 307 CE1 PHE A 21 1.890 -1.661 -4.746 1.00 15.13 C ATOM 308 CE2 PHE A 21 0.378 -2.282 -6.485 1.00 64.52 C ATOM 309 CZ PHE A 21 1.055 -1.308 -5.781 1.00 54.35 C ATOM 0 H PHE A 21 2.188 -4.593 -2.509 1.00 3.32 H new ATOM 0 HA PHE A 21 -0.262 -5.441 -3.577 1.00 30.53 H new ATOM 0 HB2 PHE A 21 2.592 -5.637 -4.595 1.00 31.35 H new ATOM 0 HB3 PHE A 21 1.192 -6.043 -5.568 1.00 31.35 H new ATOM 0 HD1 PHE A 21 2.702 -3.260 -3.602 1.00 52.22 H new ATOM 0 HD2 PHE A 21 0.009 -4.368 -6.707 1.00 62.33 H new ATOM 0 HE1 PHE A 21 2.421 -0.899 -4.194 1.00 15.13 H new ATOM 0 HE2 PHE A 21 -0.278 -2.005 -7.296 1.00 64.52 H new ATOM 0 HZ PHE A 21 0.930 -0.268 -6.042 1.00 54.35 H new ATOM 319 N PHE A 22 1.693 -7.865 -2.636 1.00 51.11 N ATOM 320 CA PHE A 22 1.694 -9.284 -2.352 1.00 33.01 C ATOM 321 C PHE A 22 0.679 -9.600 -1.258 1.00 15.40 C ATOM 322 O PHE A 22 -0.101 -10.545 -1.375 1.00 70.42 O ATOM 323 CB PHE A 22 3.092 -9.757 -1.933 1.00 73.11 C ATOM 324 CG PHE A 22 3.106 -11.134 -1.326 1.00 24.22 C ATOM 325 CD1 PHE A 22 2.723 -12.243 -2.067 1.00 42.12 C ATOM 326 CD2 PHE A 22 3.489 -11.318 -0.005 1.00 24.34 C ATOM 327 CE1 PHE A 22 2.725 -13.504 -1.503 1.00 54.31 C ATOM 328 CE2 PHE A 22 3.490 -12.575 0.562 1.00 13.23 C ATOM 329 CZ PHE A 22 3.109 -13.669 -0.187 1.00 72.14 C ATOM 0 H PHE A 22 2.503 -7.357 -2.280 1.00 51.11 H new ATOM 0 HA PHE A 22 1.413 -9.816 -3.261 1.00 33.01 H new ATOM 0 HB2 PHE A 22 3.746 -9.747 -2.805 1.00 73.11 H new ATOM 0 HB3 PHE A 22 3.506 -9.049 -1.215 1.00 73.11 H new ATOM 0 HD1 PHE A 22 2.420 -12.119 -3.096 1.00 42.12 H new ATOM 0 HD2 PHE A 22 3.790 -10.466 0.586 1.00 24.34 H new ATOM 0 HE1 PHE A 22 2.427 -14.360 -2.091 1.00 54.31 H new ATOM 0 HE2 PHE A 22 3.789 -12.703 1.592 1.00 13.23 H new ATOM 0 HZ PHE A 22 3.111 -14.654 0.256 1.00 72.14 H new ATOM 339 N VAL A 23 0.674 -8.776 -0.222 1.00 14.34 N ATOM 340 CA VAL A 23 -0.205 -8.963 0.928 1.00 14.13 C ATOM 341 C VAL A 23 -1.691 -8.767 0.556 1.00 11.24 C ATOM 342 O VAL A 23 -2.577 -9.373 1.165 1.00 63.22 O ATOM 343 CB VAL A 23 0.191 -8.003 2.085 1.00 74.43 C ATOM 344 CG1 VAL A 23 -0.736 -8.159 3.268 1.00 23.33 C ATOM 345 CG2 VAL A 23 1.626 -8.259 2.513 1.00 42.31 C ATOM 0 H VAL A 23 1.279 -7.957 -0.152 1.00 14.34 H new ATOM 0 HA VAL A 23 -0.081 -9.993 1.264 1.00 14.13 H new ATOM 0 HB VAL A 23 0.103 -6.981 1.717 1.00 74.43 H new ATOM 0 HG11 VAL A 23 -0.433 -7.475 4.060 1.00 23.33 H new ATOM 0 HG12 VAL A 23 -1.757 -7.931 2.963 1.00 23.33 H new ATOM 0 HG13 VAL A 23 -0.687 -9.184 3.636 1.00 23.33 H new ATOM 0 HG21 VAL A 23 1.890 -7.580 3.324 1.00 42.31 H new ATOM 0 HG22 VAL A 23 1.725 -9.289 2.855 1.00 42.31 H new ATOM 0 HG23 VAL A 23 2.293 -8.092 1.667 1.00 42.31 H new ATOM 355 N GLN A 24 -1.950 -7.971 -0.474 1.00 3.33 N ATOM 356 CA GLN A 24 -3.330 -7.722 -0.893 1.00 44.42 C ATOM 357 C GLN A 24 -3.825 -8.884 -1.743 1.00 71.02 C ATOM 358 O GLN A 24 -5.006 -9.236 -1.715 1.00 40.22 O ATOM 359 CB GLN A 24 -3.464 -6.394 -1.654 1.00 15.51 C ATOM 360 CG GLN A 24 -2.655 -6.329 -2.932 1.00 72.51 C ATOM 361 CD GLN A 24 -2.816 -5.021 -3.688 1.00 12.23 C ATOM 362 OE1 GLN A 24 -2.688 -4.985 -4.909 1.00 34.11 O ATOM 363 NE2 GLN A 24 -3.102 -3.945 -2.977 1.00 24.43 N ATOM 0 H GLN A 24 -1.239 -7.493 -1.028 1.00 3.33 H new ATOM 0 HA GLN A 24 -3.948 -7.642 0.001 1.00 44.42 H new ATOM 0 HB2 GLN A 24 -4.515 -6.229 -1.893 1.00 15.51 H new ATOM 0 HB3 GLN A 24 -3.155 -5.580 -0.999 1.00 15.51 H new ATOM 0 HG2 GLN A 24 -1.601 -6.473 -2.693 1.00 72.51 H new ATOM 0 HG3 GLN A 24 -2.950 -7.153 -3.581 1.00 72.51 H new ATOM 0 HE21 GLN A 24 -3.201 -4.014 -1.964 1.00 24.43 H new ATOM 0 HE22 GLN A 24 -3.224 -3.045 -3.441 1.00 24.43 H new ATOM 372 N THR A 25 -2.902 -9.498 -2.472 1.00 44.23 N ATOM 373 CA THR A 25 -3.213 -10.657 -3.278 1.00 71.54 C ATOM 374 C THR A 25 -3.373 -11.860 -2.364 1.00 40.24 C ATOM 375 O THR A 25 -4.414 -12.487 -2.339 1.00 41.44 O ATOM 376 CB THR A 25 -2.104 -10.925 -4.315 1.00 61.14 C ATOM 377 OG1 THR A 25 -1.895 -9.748 -5.108 1.00 51.33 O ATOM 378 CG2 THR A 25 -2.477 -12.089 -5.225 1.00 11.25 C ATOM 0 H THR A 25 -1.926 -9.205 -2.517 1.00 44.23 H new ATOM 0 HA THR A 25 -4.140 -10.474 -3.822 1.00 71.54 H new ATOM 0 HB THR A 25 -1.189 -11.183 -3.781 1.00 61.14 H new ATOM 0 HG1 THR A 25 -1.297 -9.135 -4.632 1.00 51.33 H new ATOM 0 HG21 THR A 25 -1.678 -12.257 -5.947 1.00 11.25 H new ATOM 0 HG22 THR A 25 -2.619 -12.988 -4.626 1.00 11.25 H new ATOM 0 HG23 THR A 25 -3.401 -11.856 -5.754 1.00 11.25 H new ATOM 386 N CYS A 26 -2.290 -12.214 -1.694 1.00 52.31 N ATOM 387 CA CYS A 26 -2.275 -13.222 -0.615 1.00 35.33 C ATOM 388 C CYS A 26 -3.575 -13.182 0.238 1.00 33.20 C ATOM 389 O CYS A 26 -4.069 -14.222 0.675 1.00 53.24 O ATOM 390 CB CYS A 26 -1.017 -12.965 0.244 1.00 35.30 C ATOM 391 SG CYS A 26 -1.064 -13.492 1.991 1.00 64.05 S ATOM 0 H CYS A 26 -1.372 -11.809 -1.878 1.00 52.31 H new ATOM 0 HA CYS A 26 -2.239 -14.224 -1.043 1.00 35.33 H new ATOM 0 HB2 CYS A 26 -0.175 -13.465 -0.235 1.00 35.30 H new ATOM 0 HB3 CYS A 26 -0.807 -11.896 0.221 1.00 35.30 H new ATOM 396 N ARG A 27 -4.122 -11.979 0.459 1.00 62.34 N ATOM 397 CA ARG A 27 -5.394 -11.835 1.170 1.00 25.10 C ATOM 398 C ARG A 27 -6.542 -12.376 0.303 1.00 32.23 C ATOM 399 O ARG A 27 -7.332 -13.217 0.742 1.00 40.14 O ATOM 400 CB ARG A 27 -5.666 -10.363 1.499 1.00 21.31 C ATOM 401 CG ARG A 27 -6.521 -10.164 2.741 1.00 23.11 C ATOM 402 CD ARG A 27 -5.652 -9.918 3.963 1.00 31.03 C ATOM 403 NE ARG A 27 -4.440 -10.739 3.943 1.00 53.33 N ATOM 404 CZ ARG A 27 -3.269 -10.357 4.447 1.00 51.15 C ATOM 405 NH1 ARG A 27 -3.167 -9.202 5.089 1.00 73.24 N ATOM 406 NH2 ARG A 27 -2.201 -11.134 4.313 1.00 45.10 N ATOM 0 H ARG A 27 -3.705 -11.099 0.157 1.00 62.34 H new ATOM 0 HA ARG A 27 -5.332 -12.402 2.099 1.00 25.10 H new ATOM 0 HB2 ARG A 27 -4.715 -9.849 1.637 1.00 21.31 H new ATOM 0 HB3 ARG A 27 -6.161 -9.895 0.648 1.00 21.31 H new ATOM 0 HG2 ARG A 27 -7.194 -9.320 2.593 1.00 23.11 H new ATOM 0 HG3 ARG A 27 -7.144 -11.044 2.904 1.00 23.11 H new ATOM 0 HD2 ARG A 27 -5.376 -8.864 4.007 1.00 31.03 H new ATOM 0 HD3 ARG A 27 -6.224 -10.136 4.865 1.00 31.03 H new ATOM 0 HE ARG A 27 -4.497 -11.663 3.515 1.00 53.33 H new ATOM 0 HH11 ARG A 27 -3.987 -8.605 5.197 1.00 73.24 H new ATOM 0 HH12 ARG A 27 -2.269 -8.911 5.475 1.00 73.24 H new ATOM 0 HH21 ARG A 27 -2.277 -12.025 3.823 1.00 45.10 H new ATOM 0 HH22 ARG A 27 -1.304 -10.840 4.700 1.00 45.10 H new ATOM 420 N GLU A 28 -6.603 -11.877 -0.931 1.00 23.34 N ATOM 421 CA GLU A 28 -7.615 -12.261 -1.916 1.00 20.01 C ATOM 422 C GLU A 28 -7.611 -13.777 -2.162 1.00 12.44 C ATOM 423 O GLU A 28 -8.672 -14.409 -2.214 1.00 21.44 O ATOM 424 CB GLU A 28 -7.347 -11.514 -3.235 1.00 34.30 C ATOM 425 CG GLU A 28 -8.322 -11.823 -4.360 1.00 13.54 C ATOM 426 CD GLU A 28 -9.721 -11.320 -4.092 1.00 61.13 C ATOM 427 OE1 GLU A 28 -10.010 -10.156 -4.438 1.00 21.23 O ATOM 428 OE2 GLU A 28 -10.540 -12.093 -3.552 1.00 43.45 O ATOM 0 H GLU A 28 -5.941 -11.184 -1.280 1.00 23.34 H new ATOM 0 HA GLU A 28 -8.597 -11.990 -1.527 1.00 20.01 H new ATOM 0 HB2 GLU A 28 -7.370 -10.442 -3.039 1.00 34.30 H new ATOM 0 HB3 GLU A 28 -6.339 -11.754 -3.572 1.00 34.30 H new ATOM 0 HG2 GLU A 28 -7.954 -11.377 -5.284 1.00 13.54 H new ATOM 0 HG3 GLU A 28 -8.355 -12.901 -4.517 1.00 13.54 H new ATOM 435 N GLU A 29 -6.418 -14.356 -2.326 1.00 64.32 N ATOM 436 CA GLU A 29 -6.251 -15.792 -2.565 1.00 14.13 C ATOM 437 C GLU A 29 -6.936 -16.626 -1.490 1.00 4.45 C ATOM 438 O GLU A 29 -7.560 -17.645 -1.787 1.00 32.21 O ATOM 439 CB GLU A 29 -4.762 -16.139 -2.606 1.00 53.04 C ATOM 440 CG GLU A 29 -4.061 -15.732 -3.889 1.00 34.41 C ATOM 441 CD GLU A 29 -4.348 -16.687 -5.028 1.00 45.41 C ATOM 442 OE1 GLU A 29 -3.593 -17.671 -5.184 1.00 50.24 O ATOM 443 OE2 GLU A 29 -5.325 -16.464 -5.772 1.00 21.42 O ATOM 0 H GLU A 29 -5.538 -13.840 -2.297 1.00 64.32 H new ATOM 0 HA GLU A 29 -6.717 -16.026 -3.522 1.00 14.13 H new ATOM 0 HB2 GLU A 29 -4.265 -15.655 -1.765 1.00 53.04 H new ATOM 0 HB3 GLU A 29 -4.648 -17.214 -2.469 1.00 53.04 H new ATOM 0 HG2 GLU A 29 -4.378 -14.728 -4.171 1.00 34.41 H new ATOM 0 HG3 GLU A 29 -2.986 -15.690 -3.715 1.00 34.41 H new ATOM 450 N HIS A 30 -6.820 -16.185 -0.249 1.00 30.53 N ATOM 451 CA HIS A 30 -7.400 -16.897 0.884 1.00 3.13 C ATOM 452 C HIS A 30 -8.931 -16.881 0.830 1.00 32.32 C ATOM 453 O HIS A 30 -9.588 -17.774 1.358 1.00 33.33 O ATOM 454 CB HIS A 30 -6.906 -16.280 2.197 1.00 1.11 C ATOM 455 CG HIS A 30 -7.309 -17.043 3.424 1.00 73.24 C ATOM 456 ND1 HIS A 30 -6.497 -17.971 4.030 1.00 24.34 N ATOM 457 CD2 HIS A 30 -8.435 -16.989 4.173 1.00 21.34 C ATOM 458 CE1 HIS A 30 -7.102 -18.454 5.094 1.00 0.11 C ATOM 459 NE2 HIS A 30 -8.278 -17.876 5.202 1.00 4.14 N ATOM 0 H HIS A 30 -6.325 -15.330 0.004 1.00 30.53 H new ATOM 0 HA HIS A 30 -7.078 -17.937 0.832 1.00 3.13 H new ATOM 0 HB2 HIS A 30 -5.819 -16.211 2.167 1.00 1.11 H new ATOM 0 HB3 HIS A 30 -7.288 -15.262 2.274 1.00 1.11 H new ATOM 0 HD2 HIS A 30 -9.296 -16.363 3.992 1.00 21.34 H new ATOM 0 HE1 HIS A 30 -6.701 -19.199 5.765 1.00 0.11 H new ATOM 0 HE2 HIS A 30 -8.963 -18.060 5.935 1.00 4.14 H new ATOM 468 N LYS A 31 -9.489 -15.868 0.188 1.00 24.34 N ATOM 469 CA LYS A 31 -10.938 -15.737 0.082 1.00 64.32 C ATOM 470 C LYS A 31 -11.527 -16.810 -0.830 1.00 20.23 C ATOM 471 O LYS A 31 -12.662 -17.223 -0.651 1.00 4.33 O ATOM 472 CB LYS A 31 -11.319 -14.349 -0.439 1.00 64.41 C ATOM 473 CG LYS A 31 -11.001 -13.209 0.515 1.00 32.00 C ATOM 474 CD LYS A 31 -11.828 -13.302 1.789 1.00 73.23 C ATOM 475 CE LYS A 31 -11.639 -12.077 2.672 1.00 32.24 C ATOM 476 NZ LYS A 31 -12.075 -10.829 1.996 1.00 3.25 N ATOM 0 H LYS A 31 -8.963 -15.123 -0.269 1.00 24.34 H new ATOM 0 HA LYS A 31 -11.352 -15.869 1.082 1.00 64.32 H new ATOM 0 HB2 LYS A 31 -10.800 -14.173 -1.381 1.00 64.41 H new ATOM 0 HB3 LYS A 31 -12.387 -14.337 -0.657 1.00 64.41 H new ATOM 0 HG2 LYS A 31 -9.940 -13.228 0.766 1.00 32.00 H new ATOM 0 HG3 LYS A 31 -11.195 -12.256 0.023 1.00 32.00 H new ATOM 0 HD2 LYS A 31 -12.882 -13.407 1.532 1.00 73.23 H new ATOM 0 HD3 LYS A 31 -11.545 -14.197 2.343 1.00 73.23 H new ATOM 0 HE2 LYS A 31 -12.204 -12.205 3.595 1.00 32.24 H new ATOM 0 HE3 LYS A 31 -10.589 -11.990 2.951 1.00 32.24 H new ATOM 0 HZ1 LYS A 31 -12.220 -10.082 2.705 1.00 3.25 H new ATOM 0 HZ2 LYS A 31 -11.345 -10.527 1.320 1.00 3.25 H new ATOM 0 HZ3 LYS A 31 -12.966 -11.002 1.488 1.00 3.25 H new ATOM 490 N LYS A 32 -10.749 -17.232 -1.818 1.00 63.33 N ATOM 491 CA LYS A 32 -11.193 -18.252 -2.775 1.00 44.12 C ATOM 492 C LYS A 32 -11.743 -19.500 -2.073 1.00 62.13 C ATOM 493 O LYS A 32 -12.886 -19.900 -2.302 1.00 25.43 O ATOM 494 CB LYS A 32 -10.046 -18.649 -3.714 1.00 34.03 C ATOM 495 CG LYS A 32 -9.456 -17.499 -4.537 1.00 51.05 C ATOM 496 CD LYS A 32 -10.492 -16.844 -5.449 1.00 5.44 C ATOM 497 CE LYS A 32 -11.148 -15.632 -4.794 1.00 12.24 C ATOM 498 NZ LYS A 32 -10.177 -14.535 -4.563 1.00 73.15 N ATOM 0 H LYS A 32 -9.804 -16.886 -1.983 1.00 63.33 H new ATOM 0 HA LYS A 32 -12.002 -17.811 -3.357 1.00 44.12 H new ATOM 0 HB2 LYS A 32 -9.249 -19.097 -3.121 1.00 34.03 H new ATOM 0 HB3 LYS A 32 -10.406 -19.418 -4.398 1.00 34.03 H new ATOM 0 HG2 LYS A 32 -9.043 -16.748 -3.863 1.00 51.05 H new ATOM 0 HG3 LYS A 32 -8.630 -17.875 -5.141 1.00 51.05 H new ATOM 0 HD2 LYS A 32 -10.014 -16.538 -6.379 1.00 5.44 H new ATOM 0 HD3 LYS A 32 -11.258 -17.574 -5.709 1.00 5.44 H new ATOM 0 HE2 LYS A 32 -11.959 -15.272 -5.427 1.00 12.24 H new ATOM 0 HE3 LYS A 32 -11.593 -15.929 -3.844 1.00 12.24 H new ATOM 0 HZ1 LYS A 32 -10.691 -13.650 -4.376 1.00 73.15 H new ATOM 0 HZ2 LYS A 32 -9.579 -14.768 -3.745 1.00 73.15 H new ATOM 0 HZ3 LYS A 32 -9.580 -14.417 -5.406 1.00 73.15 H new ATOM 512 N LYS A 33 -10.930 -20.108 -1.220 1.00 51.34 N ATOM 513 CA LYS A 33 -11.363 -21.323 -0.537 1.00 12.33 C ATOM 514 C LYS A 33 -11.813 -21.085 0.899 1.00 33.31 C ATOM 515 O LYS A 33 -12.296 -22.008 1.553 1.00 43.51 O ATOM 516 CB LYS A 33 -10.300 -22.428 -0.593 1.00 64.11 C ATOM 517 CG LYS A 33 -9.909 -22.856 -2.008 1.00 73.44 C ATOM 518 CD LYS A 33 -11.133 -23.087 -2.903 1.00 73.40 C ATOM 519 CE LYS A 33 -12.106 -24.111 -2.319 1.00 74.44 C ATOM 520 NZ LYS A 33 -11.507 -25.461 -2.208 1.00 3.33 N ATOM 0 H LYS A 33 -9.989 -19.791 -0.987 1.00 51.34 H new ATOM 0 HA LYS A 33 -12.239 -21.662 -1.090 1.00 12.33 H new ATOM 0 HB2 LYS A 33 -9.407 -22.084 -0.071 1.00 64.11 H new ATOM 0 HB3 LYS A 33 -10.670 -23.299 -0.052 1.00 64.11 H new ATOM 0 HG2 LYS A 33 -9.274 -22.091 -2.455 1.00 73.44 H new ATOM 0 HG3 LYS A 33 -9.319 -23.771 -1.959 1.00 73.44 H new ATOM 0 HD2 LYS A 33 -11.653 -22.141 -3.051 1.00 73.40 H new ATOM 0 HD3 LYS A 33 -10.802 -23.426 -3.885 1.00 73.40 H new ATOM 0 HE2 LYS A 33 -12.430 -23.778 -1.333 1.00 74.44 H new ATOM 0 HE3 LYS A 33 -12.996 -24.162 -2.947 1.00 74.44 H new ATOM 0 HZ1 LYS A 33 -12.206 -26.119 -1.807 1.00 3.33 H new ATOM 0 HZ2 LYS A 33 -11.221 -25.792 -3.151 1.00 3.33 H new ATOM 0 HZ3 LYS A 33 -10.673 -25.421 -1.588 1.00 3.33 H new ATOM 534 N HIS A 34 -11.664 -19.870 1.399 1.00 5.02 N ATOM 535 CA HIS A 34 -12.093 -19.561 2.767 1.00 24.00 C ATOM 536 C HIS A 34 -12.671 -18.149 2.871 1.00 72.52 C ATOM 537 O HIS A 34 -12.055 -17.256 3.465 1.00 74.31 O ATOM 538 CB HIS A 34 -10.942 -19.744 3.774 1.00 3.54 C ATOM 539 CG HIS A 34 -10.607 -21.177 4.062 1.00 71.34 C ATOM 540 ND1 HIS A 34 -11.251 -21.919 5.027 1.00 40.15 N ATOM 541 CD2 HIS A 34 -9.698 -22.008 3.500 1.00 43.51 C ATOM 542 CE1 HIS A 34 -10.755 -23.138 5.048 1.00 25.14 C ATOM 543 NE2 HIS A 34 -9.811 -23.219 4.131 1.00 14.42 N ATOM 0 H HIS A 34 -11.255 -19.085 0.892 1.00 5.02 H new ATOM 0 HA HIS A 34 -12.882 -20.269 3.019 1.00 24.00 H new ATOM 0 HB2 HIS A 34 -10.053 -19.244 3.389 1.00 3.54 H new ATOM 0 HB3 HIS A 34 -11.208 -19.249 4.708 1.00 3.54 H new ATOM 0 HD2 HIS A 34 -9.012 -21.762 2.703 1.00 43.51 H new ATOM 0 HE1 HIS A 34 -11.068 -23.936 5.705 1.00 25.14 H new ATOM 0 HE2 HIS A 34 -9.255 -24.049 3.925 1.00 14.42 H new ATOM 552 N PRO A 35 -13.859 -17.921 2.279 1.00 31.12 N ATOM 553 CA PRO A 35 -14.516 -16.627 2.301 1.00 21.14 C ATOM 554 C PRO A 35 -15.532 -16.487 3.438 1.00 40.14 C ATOM 555 O PRO A 35 -15.990 -15.383 3.736 1.00 0.43 O ATOM 556 CB PRO A 35 -15.232 -16.611 0.957 1.00 41.02 C ATOM 557 CG PRO A 35 -15.613 -18.044 0.710 1.00 74.52 C ATOM 558 CD PRO A 35 -14.643 -18.904 1.502 1.00 50.32 C ATOM 0 HA PRO A 35 -13.812 -15.811 2.461 1.00 21.14 H new ATOM 0 HB2 PRO A 35 -16.111 -15.967 0.984 1.00 41.02 H new ATOM 0 HB3 PRO A 35 -14.583 -16.232 0.167 1.00 41.02 H new ATOM 0 HG2 PRO A 35 -16.640 -18.230 1.026 1.00 74.52 H new ATOM 0 HG3 PRO A 35 -15.558 -18.280 -0.353 1.00 74.52 H new ATOM 0 HD2 PRO A 35 -15.167 -19.603 2.153 1.00 50.32 H new ATOM 0 HD3 PRO A 35 -14.005 -19.497 0.846 1.00 50.32 H new ATOM 566 N ASP A 36 -15.870 -17.599 4.081 1.00 34.31 N ATOM 567 CA ASP A 36 -16.880 -17.607 5.130 1.00 61.23 C ATOM 568 C ASP A 36 -16.325 -17.108 6.456 1.00 12.21 C ATOM 569 O ASP A 36 -17.009 -16.394 7.190 1.00 54.34 O ATOM 570 CB ASP A 36 -17.487 -19.014 5.288 1.00 32.24 C ATOM 571 CG ASP A 36 -16.448 -20.097 5.527 1.00 51.33 C ATOM 572 OD1 ASP A 36 -15.526 -20.239 4.694 1.00 65.21 O ATOM 573 OD2 ASP A 36 -16.558 -20.830 6.527 1.00 24.21 O ATOM 0 H ASP A 36 -15.456 -18.512 3.892 1.00 34.31 H new ATOM 0 HA ASP A 36 -17.669 -16.918 4.829 1.00 61.23 H new ATOM 0 HB2 ASP A 36 -18.191 -19.006 6.120 1.00 32.24 H new ATOM 0 HB3 ASP A 36 -18.056 -19.259 4.391 1.00 32.24 H new ATOM 578 N ALA A 37 -15.093 -17.471 6.762 1.00 4.42 N ATOM 579 CA ALA A 37 -14.468 -17.028 7.999 1.00 72.02 C ATOM 580 C ALA A 37 -13.870 -15.644 7.827 1.00 62.14 C ATOM 581 O ALA A 37 -14.185 -14.725 8.587 1.00 52.23 O ATOM 582 CB ALA A 37 -13.399 -18.012 8.444 1.00 54.33 C ATOM 0 H ALA A 37 -14.507 -18.067 6.177 1.00 4.42 H new ATOM 0 HA ALA A 37 -15.237 -16.982 8.771 1.00 72.02 H new ATOM 0 HB1 ALA A 37 -12.945 -17.661 9.371 1.00 54.33 H new ATOM 0 HB2 ALA A 37 -13.851 -18.990 8.609 1.00 54.33 H new ATOM 0 HB3 ALA A 37 -12.634 -18.091 7.672 1.00 54.33 H new ATOM 588 N SER A 38 -13.000 -15.516 6.819 1.00 20.13 N ATOM 589 CA SER A 38 -12.318 -14.258 6.497 1.00 13.10 C ATOM 590 C SER A 38 -11.184 -13.981 7.490 1.00 51.02 C ATOM 591 O SER A 38 -11.239 -14.392 8.649 1.00 2.11 O ATOM 592 CB SER A 38 -13.310 -13.080 6.438 1.00 75.24 C ATOM 593 OG SER A 38 -12.732 -11.944 5.811 1.00 21.32 O ATOM 0 H SER A 38 -12.748 -16.287 6.200 1.00 20.13 H new ATOM 0 HA SER A 38 -11.877 -14.363 5.506 1.00 13.10 H new ATOM 0 HB2 SER A 38 -14.204 -13.383 5.893 1.00 75.24 H new ATOM 0 HB3 SER A 38 -13.626 -12.818 7.448 1.00 75.24 H new ATOM 0 HG SER A 38 -13.386 -11.215 5.788 1.00 21.32 H new ATOM 599 N VAL A 39 -10.158 -13.293 7.026 1.00 65.32 N ATOM 600 CA VAL A 39 -8.992 -13.031 7.857 1.00 0.35 C ATOM 601 C VAL A 39 -8.528 -11.580 7.755 1.00 1.52 C ATOM 602 O VAL A 39 -7.888 -11.191 6.774 1.00 34.13 O ATOM 603 CB VAL A 39 -7.822 -13.983 7.503 1.00 73.34 C ATOM 604 CG1 VAL A 39 -8.059 -15.366 8.097 1.00 62.25 C ATOM 605 CG2 VAL A 39 -7.654 -14.084 5.989 1.00 51.41 C ATOM 0 H VAL A 39 -10.105 -12.906 6.084 1.00 65.32 H new ATOM 0 HA VAL A 39 -9.299 -13.216 8.886 1.00 0.35 H new ATOM 0 HB VAL A 39 -6.907 -13.572 7.930 1.00 73.34 H new ATOM 0 HG11 VAL A 39 -7.227 -16.021 7.838 1.00 62.25 H new ATOM 0 HG12 VAL A 39 -8.135 -15.288 9.182 1.00 62.25 H new ATOM 0 HG13 VAL A 39 -8.985 -15.780 7.697 1.00 62.25 H new ATOM 0 HG21 VAL A 39 -6.828 -14.757 5.759 1.00 51.41 H new ATOM 0 HG22 VAL A 39 -8.572 -14.471 5.546 1.00 51.41 H new ATOM 0 HG23 VAL A 39 -7.442 -13.096 5.580 1.00 51.41 H new ATOM 615 N ASN A 40 -8.938 -10.780 8.738 1.00 5.42 N ATOM 616 CA ASN A 40 -8.538 -9.363 8.849 1.00 40.35 C ATOM 617 C ASN A 40 -7.084 -9.129 8.419 1.00 72.54 C ATOM 618 O ASN A 40 -6.171 -9.866 8.813 1.00 22.33 O ATOM 619 CB ASN A 40 -8.742 -8.855 10.282 1.00 30.31 C ATOM 620 CG ASN A 40 -8.408 -7.375 10.435 1.00 12.21 C ATOM 621 OD1 ASN A 40 -7.272 -7.005 10.745 1.00 63.22 O ATOM 622 ND2 ASN A 40 -9.391 -6.525 10.210 1.00 4.22 N ATOM 0 H ASN A 40 -9.559 -11.089 9.486 1.00 5.42 H new ATOM 0 HA ASN A 40 -9.178 -8.803 8.168 1.00 40.35 H new ATOM 0 HB2 ASN A 40 -9.778 -9.022 10.578 1.00 30.31 H new ATOM 0 HB3 ASN A 40 -8.118 -9.436 10.961 1.00 30.31 H new ATOM 0 HD21 ASN A 40 -9.226 -5.522 10.290 1.00 4.22 H new ATOM 0 HD22 ASN A 40 -10.316 -6.871 9.956 1.00 4.22 H new ATOM 629 N PHE A 41 -6.901 -8.097 7.611 1.00 15.12 N ATOM 630 CA PHE A 41 -5.604 -7.722 7.046 1.00 40.23 C ATOM 631 C PHE A 41 -4.472 -7.744 8.085 1.00 64.31 C ATOM 632 O PHE A 41 -3.407 -8.295 7.832 1.00 13.43 O ATOM 633 CB PHE A 41 -5.711 -6.322 6.415 1.00 70.23 C ATOM 634 CG PHE A 41 -4.502 -5.887 5.629 1.00 13.54 C ATOM 635 CD1 PHE A 41 -3.453 -5.219 6.246 1.00 64.54 C ATOM 636 CD2 PHE A 41 -4.421 -6.136 4.268 1.00 32.12 C ATOM 637 CE1 PHE A 41 -2.350 -4.813 5.521 1.00 34.05 C ATOM 638 CE2 PHE A 41 -3.321 -5.732 3.538 1.00 63.43 C ATOM 639 CZ PHE A 41 -2.283 -5.069 4.167 1.00 32.54 C ATOM 0 H PHE A 41 -7.661 -7.482 7.321 1.00 15.12 H new ATOM 0 HA PHE A 41 -5.350 -8.464 6.289 1.00 40.23 H new ATOM 0 HB2 PHE A 41 -6.580 -6.301 5.758 1.00 70.23 H new ATOM 0 HB3 PHE A 41 -5.892 -5.595 7.207 1.00 70.23 H new ATOM 0 HD1 PHE A 41 -3.500 -5.014 7.305 1.00 64.54 H new ATOM 0 HD2 PHE A 41 -5.229 -6.653 3.772 1.00 32.12 H new ATOM 0 HE1 PHE A 41 -1.540 -4.295 6.014 1.00 34.05 H new ATOM 0 HE2 PHE A 41 -3.271 -5.933 2.478 1.00 63.43 H new ATOM 0 HZ PHE A 41 -1.421 -4.752 3.599 1.00 32.54 H new ATOM 649 N SER A 42 -4.719 -7.160 9.242 1.00 72.25 N ATOM 650 CA SER A 42 -3.682 -7.040 10.260 1.00 34.34 C ATOM 651 C SER A 42 -3.162 -8.418 10.733 1.00 52.31 C ATOM 652 O SER A 42 -1.954 -8.689 10.664 1.00 34.30 O ATOM 653 CB SER A 42 -4.198 -6.216 11.446 1.00 43.53 C ATOM 654 OG SER A 42 -3.132 -5.766 12.267 1.00 4.32 O ATOM 0 H SER A 42 -5.621 -6.762 9.504 1.00 72.25 H new ATOM 0 HA SER A 42 -2.836 -6.522 9.807 1.00 34.34 H new ATOM 0 HB2 SER A 42 -4.762 -5.359 11.078 1.00 43.53 H new ATOM 0 HB3 SER A 42 -4.886 -6.819 12.038 1.00 43.53 H new ATOM 0 HG SER A 42 -3.492 -5.243 13.013 1.00 4.32 H new ATOM 660 N GLU A 43 -4.069 -9.285 11.177 1.00 54.11 N ATOM 661 CA GLU A 43 -3.686 -10.600 11.712 1.00 3.50 C ATOM 662 C GLU A 43 -3.223 -11.570 10.619 1.00 44.42 C ATOM 663 O GLU A 43 -2.541 -12.548 10.900 1.00 21.30 O ATOM 664 CB GLU A 43 -4.834 -11.215 12.508 1.00 61.32 C ATOM 665 CG GLU A 43 -6.087 -11.462 11.694 1.00 42.35 C ATOM 666 CD GLU A 43 -7.180 -12.098 12.508 1.00 31.13 C ATOM 667 OE1 GLU A 43 -7.155 -13.336 12.676 1.00 3.14 O ATOM 668 OE2 GLU A 43 -8.064 -11.370 12.993 1.00 63.42 O ATOM 0 H GLU A 43 -5.073 -9.106 11.179 1.00 54.11 H new ATOM 0 HA GLU A 43 -2.838 -10.431 12.375 1.00 3.50 H new ATOM 0 HB2 GLU A 43 -4.500 -12.160 12.937 1.00 61.32 H new ATOM 0 HB3 GLU A 43 -5.079 -10.556 13.341 1.00 61.32 H new ATOM 0 HG2 GLU A 43 -6.444 -10.517 11.285 1.00 42.35 H new ATOM 0 HG3 GLU A 43 -5.847 -12.105 10.847 1.00 42.35 H new ATOM 675 N PHE A 44 -3.581 -11.286 9.391 1.00 4.24 N ATOM 676 CA PHE A 44 -3.168 -12.193 8.318 1.00 33.10 C ATOM 677 C PHE A 44 -1.841 -11.814 7.674 1.00 73.55 C ATOM 678 O PHE A 44 -1.271 -12.594 6.911 1.00 42.41 O ATOM 679 CB PHE A 44 -4.263 -12.325 7.266 1.00 55.03 C ATOM 680 CG PHE A 44 -4.221 -13.640 6.528 1.00 33.13 C ATOM 681 CD1 PHE A 44 -4.473 -14.827 7.199 1.00 23.42 C ATOM 682 CD2 PHE A 44 -3.935 -13.691 5.175 1.00 64.43 C ATOM 683 CE1 PHE A 44 -4.440 -16.035 6.533 1.00 44.44 C ATOM 684 CE2 PHE A 44 -3.901 -14.897 4.503 1.00 21.34 C ATOM 685 CZ PHE A 44 -4.153 -16.069 5.184 1.00 53.50 C ATOM 0 H PHE A 44 -4.132 -10.477 9.105 1.00 4.24 H new ATOM 0 HA PHE A 44 -3.008 -13.162 8.790 1.00 33.10 H new ATOM 0 HB2 PHE A 44 -5.235 -12.216 7.747 1.00 55.03 H new ATOM 0 HB3 PHE A 44 -4.169 -11.510 6.549 1.00 55.03 H new ATOM 0 HD1 PHE A 44 -4.698 -14.806 8.255 1.00 23.42 H new ATOM 0 HD2 PHE A 44 -3.736 -12.776 4.638 1.00 64.43 H new ATOM 0 HE1 PHE A 44 -4.639 -16.953 7.067 1.00 44.44 H new ATOM 0 HE2 PHE A 44 -3.678 -14.922 3.447 1.00 21.34 H new ATOM 0 HZ PHE A 44 -4.126 -17.014 4.661 1.00 53.50 H new ATOM 695 N SER A 45 -1.335 -10.649 7.980 1.00 40.44 N ATOM 696 CA SER A 45 -0.097 -10.205 7.367 1.00 53.21 C ATOM 697 C SER A 45 1.140 -10.794 8.057 1.00 1.15 C ATOM 698 O SER A 45 2.233 -10.780 7.494 1.00 23.03 O ATOM 699 CB SER A 45 -0.032 -8.684 7.339 1.00 43.32 C ATOM 700 OG SER A 45 -1.122 -8.156 6.605 1.00 54.25 O ATOM 0 H SER A 45 -1.750 -9.992 8.641 1.00 40.44 H new ATOM 0 HA SER A 45 -0.092 -10.576 6.342 1.00 53.21 H new ATOM 0 HB2 SER A 45 -0.048 -8.294 8.357 1.00 43.32 H new ATOM 0 HB3 SER A 45 0.907 -8.362 6.889 1.00 43.32 H new ATOM 0 HG SER A 45 -1.910 -8.098 7.185 1.00 54.25 H new ATOM 706 N LYS A 46 0.963 -11.345 9.256 1.00 24.32 N ATOM 707 CA LYS A 46 2.094 -11.898 10.003 1.00 22.11 C ATOM 708 C LYS A 46 2.587 -13.240 9.433 1.00 3.40 C ATOM 709 O LYS A 46 3.792 -13.473 9.357 1.00 41.14 O ATOM 710 CB LYS A 46 1.792 -11.986 11.510 1.00 42.13 C ATOM 711 CG LYS A 46 0.508 -12.711 11.873 1.00 65.51 C ATOM 712 CD LYS A 46 0.179 -12.515 13.347 1.00 64.43 C ATOM 713 CE LYS A 46 -1.133 -13.180 13.733 1.00 42.14 C ATOM 714 NZ LYS A 46 -1.036 -14.659 13.729 1.00 53.40 N ATOM 0 H LYS A 46 0.061 -11.421 9.727 1.00 24.32 H new ATOM 0 HA LYS A 46 2.919 -11.197 9.878 1.00 22.11 H new ATOM 0 HB2 LYS A 46 2.625 -12.488 12.002 1.00 42.13 H new ATOM 0 HB3 LYS A 46 1.746 -10.975 11.914 1.00 42.13 H new ATOM 0 HG2 LYS A 46 -0.312 -12.338 11.259 1.00 65.51 H new ATOM 0 HG3 LYS A 46 0.611 -13.774 11.656 1.00 65.51 H new ATOM 0 HD2 LYS A 46 0.985 -12.924 13.956 1.00 64.43 H new ATOM 0 HD3 LYS A 46 0.123 -11.449 13.567 1.00 64.43 H new ATOM 0 HE2 LYS A 46 -1.432 -12.840 14.725 1.00 42.14 H new ATOM 0 HE3 LYS A 46 -1.914 -12.867 13.040 1.00 42.14 H new ATOM 0 HZ1 LYS A 46 -1.949 -15.068 14.014 1.00 53.40 H new ATOM 0 HZ2 LYS A 46 -0.793 -14.988 12.773 1.00 53.40 H new ATOM 0 HZ3 LYS A 46 -0.298 -14.960 14.397 1.00 53.40 H new ATOM 728 N LYS A 47 1.666 -14.111 9.024 1.00 44.13 N ATOM 729 CA LYS A 47 2.062 -15.389 8.411 1.00 12.41 C ATOM 730 C LYS A 47 2.116 -15.274 6.893 1.00 55.13 C ATOM 731 O LYS A 47 2.602 -16.155 6.207 1.00 40.21 O ATOM 732 CB LYS A 47 1.127 -16.517 8.812 1.00 22.01 C ATOM 733 CG LYS A 47 1.718 -17.476 9.826 1.00 23.02 C ATOM 734 CD LYS A 47 0.822 -18.688 10.033 1.00 74.32 C ATOM 735 CE LYS A 47 0.567 -19.427 8.725 1.00 35.50 C ATOM 736 NZ LYS A 47 1.827 -19.866 8.073 1.00 14.00 N ATOM 0 H LYS A 47 0.659 -13.965 9.101 1.00 44.13 H new ATOM 0 HA LYS A 47 3.059 -15.625 8.782 1.00 12.41 H new ATOM 0 HB2 LYS A 47 0.212 -16.089 9.222 1.00 22.01 H new ATOM 0 HB3 LYS A 47 0.845 -17.076 7.920 1.00 22.01 H new ATOM 0 HG2 LYS A 47 2.702 -17.803 9.489 1.00 23.02 H new ATOM 0 HG3 LYS A 47 1.861 -16.961 10.776 1.00 23.02 H new ATOM 0 HD2 LYS A 47 1.285 -19.366 10.750 1.00 74.32 H new ATOM 0 HD3 LYS A 47 -0.128 -18.370 10.463 1.00 74.32 H new ATOM 0 HE2 LYS A 47 -0.062 -20.296 8.918 1.00 35.50 H new ATOM 0 HE3 LYS A 47 0.015 -18.778 8.045 1.00 35.50 H new ATOM 0 HZ1 LYS A 47 1.604 -20.364 7.187 1.00 14.00 H new ATOM 0 HZ2 LYS A 47 2.418 -19.036 7.864 1.00 14.00 H new ATOM 0 HZ3 LYS A 47 2.343 -20.506 8.710 1.00 14.00 H new ATOM 750 N CYS A 48 1.602 -14.197 6.392 1.00 43.42 N ATOM 751 CA CYS A 48 1.663 -13.960 4.960 1.00 53.34 C ATOM 752 C CYS A 48 3.066 -13.495 4.553 1.00 51.22 C ATOM 753 O CYS A 48 3.635 -13.977 3.569 1.00 62.24 O ATOM 754 CB CYS A 48 0.591 -12.953 4.531 1.00 52.34 C ATOM 755 SG CYS A 48 0.584 -12.555 2.753 1.00 13.12 S ATOM 0 H CYS A 48 1.138 -13.468 6.933 1.00 43.42 H new ATOM 0 HA CYS A 48 1.459 -14.897 4.443 1.00 53.34 H new ATOM 0 HB2 CYS A 48 -0.388 -13.347 4.805 1.00 52.34 H new ATOM 0 HB3 CYS A 48 0.732 -12.031 5.095 1.00 52.34 H new ATOM 760 N SER A 49 3.624 -12.577 5.330 1.00 71.21 N ATOM 761 CA SER A 49 4.958 -12.037 5.071 1.00 31.23 C ATOM 762 C SER A 49 6.084 -13.092 5.179 1.00 52.50 C ATOM 763 O SER A 49 7.227 -12.815 4.802 1.00 30.10 O ATOM 764 CB SER A 49 5.232 -10.866 6.012 1.00 21.43 C ATOM 765 OG SER A 49 4.917 -11.207 7.354 1.00 73.12 O ATOM 0 H SER A 49 3.170 -12.185 6.155 1.00 71.21 H new ATOM 0 HA SER A 49 4.964 -11.696 4.036 1.00 31.23 H new ATOM 0 HB2 SER A 49 6.281 -10.577 5.943 1.00 21.43 H new ATOM 0 HB3 SER A 49 4.643 -10.002 5.705 1.00 21.43 H new ATOM 0 HG SER A 49 3.966 -11.038 7.520 1.00 73.12 H new ATOM 771 N GLU A 50 5.769 -14.294 5.678 1.00 72.33 N ATOM 772 CA GLU A 50 6.793 -15.337 5.824 1.00 24.12 C ATOM 773 C GLU A 50 7.222 -15.868 4.461 1.00 50.31 C ATOM 774 O GLU A 50 8.327 -16.390 4.302 1.00 25.52 O ATOM 775 CB GLU A 50 6.315 -16.496 6.724 1.00 62.30 C ATOM 776 CG GLU A 50 5.283 -17.417 6.086 1.00 34.43 C ATOM 777 CD GLU A 50 4.897 -18.574 6.988 1.00 42.32 C ATOM 778 OE1 GLU A 50 4.020 -18.394 7.855 1.00 11.21 O ATOM 779 OE2 GLU A 50 5.471 -19.670 6.839 1.00 74.23 O ATOM 0 H GLU A 50 4.834 -14.565 5.982 1.00 72.33 H new ATOM 0 HA GLU A 50 7.653 -14.876 6.310 1.00 24.12 H new ATOM 0 HB2 GLU A 50 7.180 -17.091 7.017 1.00 62.30 H new ATOM 0 HB3 GLU A 50 5.892 -16.077 7.637 1.00 62.30 H new ATOM 0 HG2 GLU A 50 4.391 -16.841 5.838 1.00 34.43 H new ATOM 0 HG3 GLU A 50 5.680 -17.808 5.149 1.00 34.43 H new ATOM 786 N ARG A 51 6.348 -15.721 3.474 1.00 53.34 N ATOM 787 CA ARG A 51 6.648 -16.181 2.134 1.00 43.53 C ATOM 788 C ARG A 51 7.385 -15.107 1.342 1.00 11.40 C ATOM 789 O ARG A 51 8.224 -15.417 0.512 1.00 51.43 O ATOM 790 CB ARG A 51 5.373 -16.593 1.390 1.00 55.33 C ATOM 791 CG ARG A 51 5.637 -17.035 -0.040 1.00 14.31 C ATOM 792 CD ARG A 51 4.360 -17.217 -0.833 1.00 15.13 C ATOM 793 NE ARG A 51 4.640 -17.323 -2.266 1.00 14.53 N ATOM 794 CZ ARG A 51 3.773 -17.027 -3.234 1.00 43.45 C ATOM 795 NH1 ARG A 51 2.525 -16.679 -2.933 1.00 63.20 N ATOM 796 NH2 ARG A 51 4.155 -17.086 -4.503 1.00 15.44 N ATOM 0 H ARG A 51 5.431 -15.288 3.580 1.00 53.34 H new ATOM 0 HA ARG A 51 7.293 -17.055 2.226 1.00 43.53 H new ATOM 0 HB2 ARG A 51 4.889 -17.405 1.932 1.00 55.33 H new ATOM 0 HB3 ARG A 51 4.676 -15.755 1.383 1.00 55.33 H new ATOM 0 HG2 ARG A 51 6.267 -16.296 -0.535 1.00 14.31 H new ATOM 0 HG3 ARG A 51 6.193 -17.973 -0.031 1.00 14.31 H new ATOM 0 HD2 ARG A 51 3.842 -18.114 -0.493 1.00 15.13 H new ATOM 0 HD3 ARG A 51 3.692 -16.375 -0.651 1.00 15.13 H new ATOM 0 HE ARG A 51 5.566 -17.647 -2.544 1.00 14.53 H new ATOM 0 HH11 ARG A 51 2.228 -16.638 -1.958 1.00 63.20 H new ATOM 0 HH12 ARG A 51 1.865 -16.453 -3.677 1.00 63.20 H new ATOM 0 HH21 ARG A 51 5.110 -17.357 -4.736 1.00 15.44 H new ATOM 0 HH22 ARG A 51 3.493 -16.860 -5.246 1.00 15.44 H new ATOM 810 N TRP A 52 7.064 -13.859 1.602 1.00 21.03 N ATOM 811 CA TRP A 52 7.659 -12.708 0.903 1.00 72.23 C ATOM 812 C TRP A 52 9.197 -12.771 0.918 1.00 65.44 C ATOM 813 O TRP A 52 9.854 -12.355 -0.037 1.00 24.41 O ATOM 814 CB TRP A 52 7.165 -11.392 1.532 1.00 52.34 C ATOM 815 CG TRP A 52 7.744 -10.148 0.906 1.00 73.01 C ATOM 816 CD1 TRP A 52 8.619 -9.273 1.485 1.00 32.43 C ATOM 817 CD2 TRP A 52 7.491 -9.646 -0.415 1.00 33.14 C ATOM 818 NE1 TRP A 52 8.919 -8.258 0.611 1.00 31.21 N ATOM 819 CE2 TRP A 52 8.244 -8.465 -0.562 1.00 1.01 C ATOM 820 CE3 TRP A 52 6.705 -10.079 -1.484 1.00 61.13 C ATOM 821 CZ2 TRP A 52 8.229 -7.715 -1.735 1.00 0.31 C ATOM 822 CZ3 TRP A 52 6.693 -9.334 -2.647 1.00 3.20 C ATOM 823 CH2 TRP A 52 7.451 -8.165 -2.764 1.00 10.14 C ATOM 0 H TRP A 52 6.377 -13.597 2.309 1.00 21.03 H new ATOM 0 HA TRP A 52 7.339 -12.745 -0.138 1.00 72.23 H new ATOM 0 HB2 TRP A 52 6.079 -11.351 1.454 1.00 52.34 H new ATOM 0 HB3 TRP A 52 7.409 -11.397 2.594 1.00 52.34 H new ATOM 0 HD1 TRP A 52 9.017 -9.366 2.485 1.00 32.43 H new ATOM 0 HE1 TRP A 52 9.544 -7.476 0.804 1.00 31.21 H new ATOM 0 HE3 TRP A 52 6.116 -10.981 -1.403 1.00 61.13 H new ATOM 0 HZ2 TRP A 52 8.811 -6.810 -1.828 1.00 0.31 H new ATOM 0 HZ3 TRP A 52 6.088 -9.660 -3.480 1.00 3.20 H new ATOM 0 HH2 TRP A 52 7.421 -7.606 -3.687 1.00 10.14 H new ATOM 834 N LYS A 53 9.757 -13.313 1.991 1.00 73.34 N ATOM 835 CA LYS A 53 11.205 -13.428 2.116 1.00 1.33 C ATOM 836 C LYS A 53 11.761 -14.545 1.229 1.00 1.24 C ATOM 837 O LYS A 53 12.905 -14.478 0.775 1.00 65.24 O ATOM 838 CB LYS A 53 11.606 -13.670 3.572 1.00 12.23 C ATOM 839 CG LYS A 53 11.284 -12.512 4.502 1.00 4.22 C ATOM 840 CD LYS A 53 11.818 -12.762 5.902 1.00 2.44 C ATOM 841 CE LYS A 53 11.581 -11.571 6.814 1.00 22.33 C ATOM 842 NZ LYS A 53 12.234 -10.341 6.298 1.00 65.21 N ATOM 0 H LYS A 53 9.233 -13.679 2.786 1.00 73.34 H new ATOM 0 HA LYS A 53 11.634 -12.484 1.781 1.00 1.33 H new ATOM 0 HB2 LYS A 53 11.100 -14.565 3.934 1.00 12.23 H new ATOM 0 HB3 LYS A 53 12.677 -13.870 3.615 1.00 12.23 H new ATOM 0 HG2 LYS A 53 11.716 -11.593 4.105 1.00 4.22 H new ATOM 0 HG3 LYS A 53 10.205 -12.365 4.543 1.00 4.22 H new ATOM 0 HD2 LYS A 53 11.336 -13.644 6.323 1.00 2.44 H new ATOM 0 HD3 LYS A 53 12.886 -12.975 5.852 1.00 2.44 H new ATOM 0 HE2 LYS A 53 10.510 -11.398 6.915 1.00 22.33 H new ATOM 0 HE3 LYS A 53 11.963 -11.795 7.810 1.00 22.33 H new ATOM 0 HZ1 LYS A 53 12.286 -9.631 7.056 1.00 65.21 H new ATOM 0 HZ2 LYS A 53 13.194 -10.569 5.971 1.00 65.21 H new ATOM 0 HZ3 LYS A 53 11.679 -9.960 5.505 1.00 65.21 H new ATOM 856 N THR A 54 10.953 -15.556 0.970 1.00 20.41 N ATOM 857 CA THR A 54 11.386 -16.687 0.169 1.00 52.33 C ATOM 858 C THR A 54 10.878 -16.603 -1.274 1.00 51.44 C ATOM 859 O THR A 54 11.141 -17.492 -2.088 1.00 62.13 O ATOM 860 CB THR A 54 10.940 -18.016 0.804 1.00 70.32 C ATOM 861 OG1 THR A 54 9.569 -17.925 1.218 1.00 15.12 O ATOM 862 CG2 THR A 54 11.813 -18.361 2.002 1.00 73.44 C ATOM 0 H THR A 54 9.991 -15.618 1.303 1.00 20.41 H new ATOM 0 HA THR A 54 12.475 -16.652 0.142 1.00 52.33 H new ATOM 0 HB THR A 54 11.043 -18.804 0.058 1.00 70.32 H new ATOM 0 HG1 THR A 54 9.291 -18.775 1.620 1.00 15.12 H new ATOM 0 HG21 THR A 54 11.480 -19.304 2.435 1.00 73.44 H new ATOM 0 HG22 THR A 54 12.850 -18.455 1.681 1.00 73.44 H new ATOM 0 HG23 THR A 54 11.735 -17.571 2.749 1.00 73.44 H new ATOM 870 N MET A 55 10.149 -15.537 -1.587 1.00 70.04 N ATOM 871 CA MET A 55 9.649 -15.337 -2.943 1.00 11.21 C ATOM 872 C MET A 55 10.788 -14.990 -3.873 1.00 52.02 C ATOM 873 O MET A 55 11.582 -14.091 -3.590 1.00 21.54 O ATOM 874 CB MET A 55 8.585 -14.246 -2.990 1.00 21.24 C ATOM 875 CG MET A 55 7.271 -14.646 -2.357 1.00 74.25 C ATOM 876 SD MET A 55 6.052 -13.325 -2.393 1.00 22.13 S ATOM 877 CE MET A 55 5.855 -13.079 -4.156 1.00 13.21 C ATOM 0 H MET A 55 9.893 -14.803 -0.926 1.00 70.04 H new ATOM 0 HA MET A 55 9.189 -16.270 -3.270 1.00 11.21 H new ATOM 0 HB2 MET A 55 8.966 -13.358 -2.484 1.00 21.24 H new ATOM 0 HB3 MET A 55 8.407 -13.969 -4.029 1.00 21.24 H new ATOM 0 HG2 MET A 55 6.872 -15.517 -2.877 1.00 74.25 H new ATOM 0 HG3 MET A 55 7.446 -14.945 -1.324 1.00 74.25 H new ATOM 0 HE1 MET A 55 5.168 -12.252 -4.333 1.00 13.21 H new ATOM 0 HE2 MET A 55 6.823 -12.849 -4.602 1.00 13.21 H new ATOM 0 HE3 MET A 55 5.455 -13.987 -4.608 1.00 13.21 H new ATOM 887 N SER A 56 10.873 -15.696 -4.970 1.00 71.52 N ATOM 888 CA SER A 56 11.947 -15.500 -5.905 1.00 75.31 C ATOM 889 C SER A 56 11.666 -14.322 -6.841 1.00 65.31 C ATOM 890 O SER A 56 10.551 -13.785 -6.874 1.00 5.44 O ATOM 891 CB SER A 56 12.189 -16.781 -6.692 1.00 11.23 C ATOM 892 OG SER A 56 12.532 -17.842 -5.814 1.00 62.14 O ATOM 0 H SER A 56 10.204 -16.418 -5.238 1.00 71.52 H new ATOM 0 HA SER A 56 12.850 -15.257 -5.346 1.00 75.31 H new ATOM 0 HB2 SER A 56 11.295 -17.043 -7.257 1.00 11.23 H new ATOM 0 HB3 SER A 56 12.989 -16.626 -7.415 1.00 11.23 H new ATOM 0 HG SER A 56 12.683 -18.660 -6.332 1.00 62.14 H new ATOM 898 N ALA A 57 12.691 -13.934 -7.587 1.00 30.13 N ATOM 899 CA ALA A 57 12.605 -12.809 -8.520 1.00 33.33 C ATOM 900 C ALA A 57 11.404 -12.909 -9.457 1.00 23.35 C ATOM 901 O ALA A 57 10.717 -11.924 -9.692 1.00 35.44 O ATOM 902 CB ALA A 57 13.885 -12.698 -9.324 1.00 2.31 C ATOM 0 H ALA A 57 13.605 -14.386 -7.566 1.00 30.13 H new ATOM 0 HA ALA A 57 12.467 -11.909 -7.920 1.00 33.33 H new ATOM 0 HB1 ALA A 57 13.809 -11.858 -10.014 1.00 2.31 H new ATOM 0 HB2 ALA A 57 14.726 -12.538 -8.649 1.00 2.31 H new ATOM 0 HB3 ALA A 57 14.042 -13.618 -9.888 1.00 2.31 H new ATOM 908 N LYS A 58 11.139 -14.101 -9.967 1.00 45.25 N ATOM 909 CA LYS A 58 10.043 -14.289 -10.912 1.00 62.30 C ATOM 910 C LYS A 58 8.683 -14.150 -10.231 1.00 41.23 C ATOM 911 O LYS A 58 7.693 -13.810 -10.873 1.00 24.42 O ATOM 912 CB LYS A 58 10.157 -15.643 -11.614 1.00 1.42 C ATOM 913 CG LYS A 58 11.513 -15.884 -12.274 1.00 54.10 C ATOM 914 CD LYS A 58 11.895 -14.758 -13.236 1.00 73.22 C ATOM 915 CE LYS A 58 10.960 -14.688 -14.435 1.00 24.52 C ATOM 916 NZ LYS A 58 11.344 -13.600 -15.371 1.00 64.12 N ATOM 0 H LYS A 58 11.662 -14.949 -9.747 1.00 45.25 H new ATOM 0 HA LYS A 58 10.120 -13.502 -11.662 1.00 62.30 H new ATOM 0 HB2 LYS A 58 9.971 -16.435 -10.888 1.00 1.42 H new ATOM 0 HB3 LYS A 58 9.377 -15.716 -12.372 1.00 1.42 H new ATOM 0 HG2 LYS A 58 12.279 -15.977 -11.504 1.00 54.10 H new ATOM 0 HG3 LYS A 58 11.489 -16.830 -12.815 1.00 54.10 H new ATOM 0 HD2 LYS A 58 11.875 -13.806 -12.705 1.00 73.22 H new ATOM 0 HD3 LYS A 58 12.917 -14.909 -13.582 1.00 73.22 H new ATOM 0 HE2 LYS A 58 10.972 -15.642 -14.962 1.00 24.52 H new ATOM 0 HE3 LYS A 58 9.938 -14.527 -14.090 1.00 24.52 H new ATOM 0 HZ1 LYS A 58 10.684 -13.584 -16.174 1.00 64.12 H new ATOM 0 HZ2 LYS A 58 11.308 -12.687 -14.875 1.00 64.12 H new ATOM 0 HZ3 LYS A 58 12.310 -13.767 -15.720 1.00 64.12 H new ATOM 930 N GLU A 59 8.643 -14.401 -8.931 1.00 3.30 N ATOM 931 CA GLU A 59 7.408 -14.274 -8.170 1.00 21.34 C ATOM 932 C GLU A 59 7.151 -12.820 -7.827 1.00 10.13 C ATOM 933 O GLU A 59 6.015 -12.352 -7.858 1.00 34.32 O ATOM 934 CB GLU A 59 7.475 -15.085 -6.883 1.00 55.33 C ATOM 935 CG GLU A 59 7.619 -16.575 -7.085 1.00 12.14 C ATOM 936 CD GLU A 59 7.676 -17.309 -5.772 1.00 74.02 C ATOM 937 OE1 GLU A 59 8.777 -17.433 -5.208 1.00 3.54 O ATOM 938 OE2 GLU A 59 6.614 -17.753 -5.285 1.00 60.22 O ATOM 0 H GLU A 59 9.451 -14.694 -8.381 1.00 3.30 H new ATOM 0 HA GLU A 59 6.595 -14.656 -8.788 1.00 21.34 H new ATOM 0 HB2 GLU A 59 8.316 -14.729 -6.288 1.00 55.33 H new ATOM 0 HB3 GLU A 59 6.572 -14.896 -6.303 1.00 55.33 H new ATOM 0 HG2 GLU A 59 6.780 -16.946 -7.674 1.00 12.14 H new ATOM 0 HG3 GLU A 59 8.524 -16.780 -7.656 1.00 12.14 H new ATOM 945 N LYS A 60 8.219 -12.102 -7.512 1.00 3.42 N ATOM 946 CA LYS A 60 8.115 -10.707 -7.134 1.00 55.31 C ATOM 947 C LYS A 60 7.968 -9.812 -8.345 1.00 4.20 C ATOM 948 O LYS A 60 7.311 -8.785 -8.270 1.00 64.24 O ATOM 949 CB LYS A 60 9.319 -10.278 -6.296 1.00 12.10 C ATOM 950 CG LYS A 60 9.381 -10.944 -4.933 1.00 15.42 C ATOM 951 CD LYS A 60 10.549 -10.427 -4.113 1.00 63.05 C ATOM 952 CE LYS A 60 10.558 -11.042 -2.726 1.00 52.13 C ATOM 953 NZ LYS A 60 11.692 -10.556 -1.904 1.00 4.13 N ATOM 0 H LYS A 60 9.171 -12.468 -7.512 1.00 3.42 H new ATOM 0 HA LYS A 60 7.215 -10.600 -6.528 1.00 55.31 H new ATOM 0 HB2 LYS A 60 10.233 -10.507 -6.845 1.00 12.10 H new ATOM 0 HB3 LYS A 60 9.290 -9.197 -6.162 1.00 12.10 H new ATOM 0 HG2 LYS A 60 8.450 -10.763 -4.396 1.00 15.42 H new ATOM 0 HG3 LYS A 60 9.472 -12.023 -5.058 1.00 15.42 H new ATOM 0 HD2 LYS A 60 11.485 -10.657 -4.622 1.00 63.05 H new ATOM 0 HD3 LYS A 60 10.489 -9.342 -4.032 1.00 63.05 H new ATOM 0 HE2 LYS A 60 9.620 -10.809 -2.221 1.00 52.13 H new ATOM 0 HE3 LYS A 60 10.613 -12.127 -2.812 1.00 52.13 H new ATOM 0 HZ1 LYS A 60 11.657 -11.003 -0.966 1.00 4.13 H new ATOM 0 HZ2 LYS A 60 12.589 -10.800 -2.371 1.00 4.13 H new ATOM 0 HZ3 LYS A 60 11.627 -9.523 -1.798 1.00 4.13 H new ATOM 967 N GLY A 61 8.563 -10.223 -9.467 1.00 22.41 N ATOM 968 CA GLY A 61 8.500 -9.441 -10.703 1.00 44.04 C ATOM 969 C GLY A 61 7.083 -9.046 -11.087 1.00 61.42 C ATOM 970 O GLY A 61 6.868 -8.006 -11.724 1.00 22.52 O ATOM 0 H GLY A 61 9.093 -11.091 -9.545 1.00 22.41 H new ATOM 0 HA2 GLY A 61 9.103 -8.540 -10.587 1.00 44.04 H new ATOM 0 HA3 GLY A 61 8.942 -10.019 -11.515 1.00 44.04 H new ATOM 974 N LYS A 62 6.123 -9.871 -10.698 1.00 44.14 N ATOM 975 CA LYS A 62 4.720 -9.606 -10.956 1.00 60.22 C ATOM 976 C LYS A 62 4.272 -8.356 -10.192 1.00 61.45 C ATOM 977 O LYS A 62 3.792 -7.391 -10.780 1.00 52.44 O ATOM 978 CB LYS A 62 3.875 -10.813 -10.517 1.00 34.43 C ATOM 979 CG LYS A 62 2.403 -10.734 -10.904 1.00 22.31 C ATOM 980 CD LYS A 62 2.223 -10.825 -12.410 1.00 61.33 C ATOM 981 CE LYS A 62 0.752 -10.849 -12.803 1.00 33.52 C ATOM 982 NZ LYS A 62 0.050 -9.598 -12.427 1.00 73.34 N ATOM 0 H LYS A 62 6.296 -10.741 -10.195 1.00 44.14 H new ATOM 0 HA LYS A 62 4.581 -9.438 -12.024 1.00 60.22 H new ATOM 0 HB2 LYS A 62 4.303 -11.716 -10.952 1.00 34.43 H new ATOM 0 HB3 LYS A 62 3.947 -10.915 -9.434 1.00 34.43 H new ATOM 0 HG2 LYS A 62 1.854 -11.542 -10.420 1.00 22.31 H new ATOM 0 HG3 LYS A 62 1.979 -9.798 -10.541 1.00 22.31 H new ATOM 0 HD2 LYS A 62 2.713 -9.976 -12.887 1.00 61.33 H new ATOM 0 HD3 LYS A 62 2.713 -11.725 -12.781 1.00 61.33 H new ATOM 0 HE2 LYS A 62 0.668 -11.001 -13.879 1.00 33.52 H new ATOM 0 HE3 LYS A 62 0.263 -11.696 -12.322 1.00 33.52 H new ATOM 0 HZ1 LYS A 62 -0.705 -9.815 -11.746 1.00 73.34 H new ATOM 0 HZ2 LYS A 62 0.726 -8.937 -11.995 1.00 73.34 H new ATOM 0 HZ3 LYS A 62 -0.364 -9.164 -13.276 1.00 73.34 H new ATOM 996 N PHE A 63 4.472 -8.378 -8.884 1.00 10.21 N ATOM 997 CA PHE A 63 4.055 -7.285 -8.011 1.00 23.52 C ATOM 998 C PHE A 63 4.978 -6.081 -8.154 1.00 44.23 C ATOM 999 O PHE A 63 4.538 -4.932 -8.074 1.00 51.33 O ATOM 1000 CB PHE A 63 4.036 -7.759 -6.553 1.00 52.41 C ATOM 1001 CG PHE A 63 3.245 -9.024 -6.339 1.00 53.44 C ATOM 1002 CD1 PHE A 63 1.864 -8.991 -6.278 1.00 74.24 C ATOM 1003 CD2 PHE A 63 3.888 -10.243 -6.203 1.00 13.33 C ATOM 1004 CE1 PHE A 63 1.137 -10.149 -6.086 1.00 43.22 C ATOM 1005 CE2 PHE A 63 3.167 -11.406 -6.010 1.00 11.33 C ATOM 1006 CZ PHE A 63 1.790 -11.358 -5.952 1.00 20.21 C ATOM 0 H PHE A 63 4.926 -9.150 -8.396 1.00 10.21 H new ATOM 0 HA PHE A 63 3.051 -6.979 -8.307 1.00 23.52 H new ATOM 0 HB2 PHE A 63 5.061 -7.921 -6.219 1.00 52.41 H new ATOM 0 HB3 PHE A 63 3.618 -6.969 -5.929 1.00 52.41 H new ATOM 0 HD1 PHE A 63 1.348 -8.048 -6.382 1.00 74.24 H new ATOM 0 HD2 PHE A 63 4.966 -10.285 -6.248 1.00 13.33 H new ATOM 0 HE1 PHE A 63 0.059 -10.109 -6.041 1.00 43.22 H new ATOM 0 HE2 PHE A 63 3.681 -12.350 -5.905 1.00 11.33 H new ATOM 0 HZ PHE A 63 1.223 -12.265 -5.802 1.00 20.21 H new ATOM 1016 N GLU A 64 6.251 -6.360 -8.387 1.00 43.40 N ATOM 1017 CA GLU A 64 7.278 -5.335 -8.519 1.00 72.44 C ATOM 1018 C GLU A 64 6.987 -4.349 -9.638 1.00 34.44 C ATOM 1019 O GLU A 64 7.355 -3.178 -9.537 1.00 42.24 O ATOM 1020 CB GLU A 64 8.652 -5.974 -8.743 1.00 64.54 C ATOM 1021 CG GLU A 64 9.373 -6.370 -7.464 1.00 75.34 C ATOM 1022 CD GLU A 64 9.950 -5.177 -6.733 1.00 0.23 C ATOM 1023 OE1 GLU A 64 9.236 -4.559 -5.937 1.00 43.13 O ATOM 1024 OE2 GLU A 64 11.134 -4.849 -6.962 1.00 65.23 O ATOM 0 H GLU A 64 6.605 -7.311 -8.491 1.00 43.40 H new ATOM 0 HA GLU A 64 7.277 -4.777 -7.583 1.00 72.44 H new ATOM 0 HB2 GLU A 64 8.531 -6.859 -9.367 1.00 64.54 H new ATOM 0 HB3 GLU A 64 9.278 -5.276 -9.298 1.00 64.54 H new ATOM 0 HG2 GLU A 64 8.679 -6.894 -6.807 1.00 75.34 H new ATOM 0 HG3 GLU A 64 10.175 -7.068 -7.704 1.00 75.34 H new ATOM 1031 N ASP A 65 6.315 -4.787 -10.701 1.00 22.50 N ATOM 1032 CA ASP A 65 6.078 -3.911 -11.833 1.00 3.13 C ATOM 1033 C ASP A 65 4.684 -3.295 -11.773 1.00 63.24 C ATOM 1034 O ASP A 65 4.458 -2.196 -12.277 1.00 75.20 O ATOM 1035 CB ASP A 65 6.263 -4.680 -13.143 1.00 30.25 C ATOM 1036 CG ASP A 65 5.982 -3.837 -14.370 1.00 1.30 C ATOM 1037 OD1 ASP A 65 6.874 -3.075 -14.792 1.00 25.34 O ATOM 1038 OD2 ASP A 65 4.871 -3.956 -14.938 1.00 72.40 O ATOM 0 H ASP A 65 5.933 -5.728 -10.797 1.00 22.50 H new ATOM 0 HA ASP A 65 6.805 -3.100 -11.791 1.00 3.13 H new ATOM 0 HB2 ASP A 65 7.284 -5.058 -13.195 1.00 30.25 H new ATOM 0 HB3 ASP A 65 5.602 -5.547 -13.145 1.00 30.25 H new ATOM 1043 N MET A 66 3.750 -3.996 -11.132 1.00 42.43 N ATOM 1044 CA MET A 66 2.368 -3.512 -11.043 1.00 70.41 C ATOM 1045 C MET A 66 2.299 -2.239 -10.221 1.00 54.05 C ATOM 1046 O MET A 66 1.454 -1.374 -10.460 1.00 33.14 O ATOM 1047 CB MET A 66 1.433 -4.576 -10.456 1.00 71.52 C ATOM 1048 CG MET A 66 1.267 -5.804 -11.337 1.00 33.23 C ATOM 1049 SD MET A 66 -0.037 -6.921 -10.763 1.00 1.14 S ATOM 1050 CE MET A 66 0.491 -7.253 -9.085 1.00 1.10 C ATOM 0 H MET A 66 3.919 -4.890 -10.671 1.00 42.43 H new ATOM 0 HA MET A 66 2.032 -3.295 -12.057 1.00 70.41 H new ATOM 0 HB2 MET A 66 1.817 -4.887 -9.485 1.00 71.52 H new ATOM 0 HB3 MET A 66 0.454 -4.130 -10.283 1.00 71.52 H new ATOM 0 HG2 MET A 66 1.042 -5.485 -12.355 1.00 33.23 H new ATOM 0 HG3 MET A 66 2.211 -6.347 -11.374 1.00 33.23 H new ATOM 0 HE1 MET A 66 -0.279 -7.826 -8.568 1.00 1.10 H new ATOM 0 HE2 MET A 66 1.419 -7.825 -9.102 1.00 1.10 H new ATOM 0 HE3 MET A 66 0.655 -6.311 -8.562 1.00 1.10 H new ATOM 1060 N ALA A 67 3.216 -2.114 -9.268 1.00 71.23 N ATOM 1061 CA ALA A 67 3.291 -0.933 -8.427 1.00 24.25 C ATOM 1062 C ALA A 67 3.583 0.308 -9.266 1.00 0.14 C ATOM 1063 O ALA A 67 3.152 1.414 -8.932 1.00 1.11 O ATOM 1064 CB ALA A 67 4.355 -1.116 -7.360 1.00 13.41 C ATOM 0 H ALA A 67 3.920 -2.822 -9.061 1.00 71.23 H new ATOM 0 HA ALA A 67 2.327 -0.794 -7.938 1.00 24.25 H new ATOM 0 HB1 ALA A 67 4.402 -0.224 -6.736 1.00 13.41 H new ATOM 0 HB2 ALA A 67 4.106 -1.979 -6.742 1.00 13.41 H new ATOM 0 HB3 ALA A 67 5.323 -1.277 -7.835 1.00 13.41 H new ATOM 1070 N LYS A 68 4.283 0.105 -10.376 1.00 13.44 N ATOM 1071 CA LYS A 68 4.641 1.186 -11.288 1.00 61.42 C ATOM 1072 C LYS A 68 3.402 1.751 -11.984 1.00 1.02 C ATOM 1073 O LYS A 68 3.388 2.902 -12.415 1.00 25.50 O ATOM 1074 CB LYS A 68 5.642 0.679 -12.322 1.00 3.54 C ATOM 1075 CG LYS A 68 6.962 0.213 -11.721 1.00 74.55 C ATOM 1076 CD LYS A 68 7.706 -0.720 -12.663 1.00 2.24 C ATOM 1077 CE LYS A 68 8.028 -0.058 -13.985 1.00 55.54 C ATOM 1078 NZ LYS A 68 8.587 -1.029 -14.955 1.00 42.15 N ATOM 0 H LYS A 68 4.618 -0.813 -10.669 1.00 13.44 H new ATOM 0 HA LYS A 68 5.097 1.989 -10.709 1.00 61.42 H new ATOM 0 HB2 LYS A 68 5.193 -0.147 -12.874 1.00 3.54 H new ATOM 0 HB3 LYS A 68 5.841 1.473 -13.042 1.00 3.54 H new ATOM 0 HG2 LYS A 68 7.586 1.078 -11.496 1.00 74.55 H new ATOM 0 HG3 LYS A 68 6.773 -0.297 -10.777 1.00 74.55 H new ATOM 0 HD2 LYS A 68 8.630 -1.051 -12.189 1.00 2.24 H new ATOM 0 HD3 LYS A 68 7.103 -1.610 -12.842 1.00 2.24 H new ATOM 0 HE2 LYS A 68 7.125 0.392 -14.398 1.00 55.54 H new ATOM 0 HE3 LYS A 68 8.742 0.750 -13.825 1.00 55.54 H new ATOM 0 HZ1 LYS A 68 8.334 -0.739 -15.921 1.00 42.15 H new ATOM 0 HZ2 LYS A 68 9.622 -1.056 -14.862 1.00 42.15 H new ATOM 0 HZ3 LYS A 68 8.197 -1.974 -14.764 1.00 42.15 H new ATOM 1092 N ALA A 69 2.366 0.938 -12.090 1.00 75.42 N ATOM 1093 CA ALA A 69 1.117 1.375 -12.694 1.00 2.34 C ATOM 1094 C ALA A 69 0.175 1.895 -11.618 1.00 54.04 C ATOM 1095 O ALA A 69 -0.768 2.638 -11.894 1.00 12.10 O ATOM 1096 CB ALA A 69 0.470 0.233 -13.464 1.00 74.45 C ATOM 0 H ALA A 69 2.364 -0.029 -11.766 1.00 75.42 H new ATOM 0 HA ALA A 69 1.328 2.182 -13.395 1.00 2.34 H new ATOM 0 HB1 ALA A 69 -0.463 0.577 -13.909 1.00 74.45 H new ATOM 0 HB2 ALA A 69 1.145 -0.104 -14.251 1.00 74.45 H new ATOM 0 HB3 ALA A 69 0.264 -0.594 -12.784 1.00 74.45 H new ATOM 1102 N ASP A 70 0.448 1.503 -10.386 1.00 35.22 N ATOM 1103 CA ASP A 70 -0.364 1.900 -9.244 1.00 61.52 C ATOM 1104 C ASP A 70 0.065 3.263 -8.701 1.00 3.24 C ATOM 1105 O ASP A 70 -0.729 3.977 -8.112 1.00 43.01 O ATOM 1106 CB ASP A 70 -0.279 0.840 -8.147 1.00 3.44 C ATOM 1107 CG ASP A 70 -0.986 1.249 -6.872 1.00 30.33 C ATOM 1108 OD1 ASP A 70 -2.223 1.109 -6.793 1.00 3.40 O ATOM 1109 OD2 ASP A 70 -0.297 1.706 -5.940 1.00 44.31 O ATOM 0 H ASP A 70 1.237 0.902 -10.147 1.00 35.22 H new ATOM 0 HA ASP A 70 -1.398 1.986 -9.578 1.00 61.52 H new ATOM 0 HB2 ASP A 70 -0.713 -0.090 -8.514 1.00 3.44 H new ATOM 0 HB3 ASP A 70 0.769 0.637 -7.926 1.00 3.44 H new ATOM 1114 N LYS A 71 1.329 3.632 -8.924 1.00 12.14 N ATOM 1115 CA LYS A 71 1.844 4.926 -8.445 1.00 33.51 C ATOM 1116 C LYS A 71 1.132 6.091 -9.142 1.00 31.33 C ATOM 1117 O LYS A 71 1.193 7.235 -8.696 1.00 63.44 O ATOM 1118 CB LYS A 71 3.365 5.014 -8.632 1.00 74.23 C ATOM 1119 CG LYS A 71 3.832 4.932 -10.072 1.00 65.10 C ATOM 1120 CD LYS A 71 5.350 4.888 -10.158 1.00 23.13 C ATOM 1121 CE LYS A 71 5.833 4.953 -11.600 1.00 71.10 C ATOM 1122 NZ LYS A 71 5.665 6.308 -12.183 1.00 50.32 N ATOM 0 H LYS A 71 2.011 3.064 -9.427 1.00 12.14 H new ATOM 0 HA LYS A 71 1.635 4.999 -7.378 1.00 33.51 H new ATOM 0 HB2 LYS A 71 3.716 5.953 -8.203 1.00 74.23 H new ATOM 0 HB3 LYS A 71 3.834 4.209 -8.066 1.00 74.23 H new ATOM 0 HG2 LYS A 71 3.413 4.043 -10.543 1.00 65.10 H new ATOM 0 HG3 LYS A 71 3.459 5.792 -10.627 1.00 65.10 H new ATOM 0 HD2 LYS A 71 5.771 5.721 -9.595 1.00 23.13 H new ATOM 0 HD3 LYS A 71 5.715 3.972 -9.693 1.00 23.13 H new ATOM 0 HE2 LYS A 71 6.884 4.668 -11.643 1.00 71.10 H new ATOM 0 HE3 LYS A 71 5.281 4.229 -12.200 1.00 71.10 H new ATOM 0 HZ1 LYS A 71 6.053 6.321 -13.148 1.00 50.32 H new ATOM 0 HZ2 LYS A 71 4.654 6.550 -12.213 1.00 50.32 H new ATOM 0 HZ3 LYS A 71 6.171 7.003 -11.597 1.00 50.32 H new ATOM 1136 N ALA A 72 0.399 5.748 -10.192 1.00 50.41 N ATOM 1137 CA ALA A 72 -0.371 6.695 -10.994 1.00 13.01 C ATOM 1138 C ALA A 72 -1.498 7.338 -10.177 1.00 41.20 C ATOM 1139 O ALA A 72 -2.165 8.258 -10.640 1.00 1.43 O ATOM 1140 CB ALA A 72 -0.935 6.004 -12.225 1.00 12.22 C ATOM 0 H ALA A 72 0.320 4.785 -10.519 1.00 50.41 H new ATOM 0 HA ALA A 72 0.303 7.491 -11.311 1.00 13.01 H new ATOM 0 HB1 ALA A 72 -1.507 6.721 -12.815 1.00 12.22 H new ATOM 0 HB2 ALA A 72 -0.117 5.609 -12.828 1.00 12.22 H new ATOM 0 HB3 ALA A 72 -1.586 5.186 -11.917 1.00 12.22 H new ATOM 1146 N ARG A 73 -1.691 6.856 -8.952 1.00 64.03 N ATOM 1147 CA ARG A 73 -2.777 7.337 -8.121 1.00 32.41 C ATOM 1148 C ARG A 73 -2.335 8.556 -7.316 1.00 2.04 C ATOM 1149 O ARG A 73 -3.115 9.471 -7.090 1.00 62.01 O ATOM 1150 CB ARG A 73 -3.329 6.212 -7.198 1.00 11.00 C ATOM 1151 CG ARG A 73 -2.334 5.637 -6.179 1.00 21.02 C ATOM 1152 CD ARG A 73 -2.306 6.436 -4.878 1.00 45.42 C ATOM 1153 NE ARG A 73 -3.577 6.371 -4.156 1.00 55.50 N ATOM 1154 CZ ARG A 73 -3.870 7.099 -3.071 1.00 74.33 C ATOM 1155 NH1 ARG A 73 -2.989 7.974 -2.590 1.00 70.03 N ATOM 1156 NH2 ARG A 73 -5.043 6.952 -2.471 1.00 51.10 N ATOM 0 H ARG A 73 -1.110 6.137 -8.520 1.00 64.03 H new ATOM 0 HA ARG A 73 -3.594 7.643 -8.775 1.00 32.41 H new ATOM 0 HB2 ARG A 73 -4.191 6.602 -6.656 1.00 11.00 H new ATOM 0 HB3 ARG A 73 -3.690 5.397 -7.826 1.00 11.00 H new ATOM 0 HG2 ARG A 73 -2.599 4.602 -5.961 1.00 21.02 H new ATOM 0 HG3 ARG A 73 -1.336 5.625 -6.617 1.00 21.02 H new ATOM 0 HD2 ARG A 73 -1.509 6.057 -4.239 1.00 45.42 H new ATOM 0 HD3 ARG A 73 -2.070 7.477 -5.099 1.00 45.42 H new ATOM 0 HE ARG A 73 -4.288 5.727 -4.503 1.00 55.50 H new ATOM 0 HH11 ARG A 73 -2.086 8.092 -3.048 1.00 70.03 H new ATOM 0 HH12 ARG A 73 -3.218 8.526 -1.763 1.00 70.03 H new ATOM 0 HH21 ARG A 73 -5.722 6.284 -2.836 1.00 51.10 H new ATOM 0 HH22 ARG A 73 -5.266 7.507 -1.645 1.00 51.10 H new ATOM 1170 N TYR A 74 -1.072 8.565 -6.885 1.00 54.23 N ATOM 1171 CA TYR A 74 -0.560 9.685 -6.111 1.00 73.50 C ATOM 1172 C TYR A 74 0.246 10.656 -6.970 1.00 33.12 C ATOM 1173 O TYR A 74 0.393 11.820 -6.616 1.00 74.23 O ATOM 1174 CB TYR A 74 0.252 9.220 -4.886 1.00 11.45 C ATOM 1175 CG TYR A 74 1.556 8.520 -5.202 1.00 64.20 C ATOM 1176 CD1 TYR A 74 2.715 9.248 -5.438 1.00 71.20 C ATOM 1177 CD2 TYR A 74 1.632 7.137 -5.247 1.00 70.20 C ATOM 1178 CE1 TYR A 74 3.908 8.618 -5.712 1.00 2.13 C ATOM 1179 CE2 TYR A 74 2.825 6.500 -5.522 1.00 0.24 C ATOM 1180 CZ TYR A 74 3.957 7.246 -5.753 1.00 35.14 C ATOM 1181 OH TYR A 74 5.146 6.618 -6.023 1.00 21.33 O ATOM 0 H TYR A 74 -0.398 7.819 -7.058 1.00 54.23 H new ATOM 0 HA TYR A 74 -1.431 10.225 -5.739 1.00 73.50 H new ATOM 0 HB2 TYR A 74 0.466 10.088 -4.262 1.00 11.45 H new ATOM 0 HB3 TYR A 74 -0.368 8.547 -4.294 1.00 11.45 H new ATOM 0 HD1 TYR A 74 2.680 10.327 -5.406 1.00 71.20 H new ATOM 0 HD2 TYR A 74 0.745 6.549 -5.064 1.00 70.20 H new ATOM 0 HE1 TYR A 74 4.800 9.199 -5.894 1.00 2.13 H new ATOM 0 HE2 TYR A 74 2.869 5.421 -5.556 1.00 0.24 H new ATOM 0 HH TYR A 74 5.012 5.647 -6.015 1.00 21.33 H new ATOM 1191 N GLU A 75 0.787 10.172 -8.093 1.00 53.33 N ATOM 1192 CA GLU A 75 1.565 11.037 -8.982 1.00 34.32 C ATOM 1193 C GLU A 75 0.741 12.232 -9.439 1.00 12.33 C ATOM 1194 O GLU A 75 1.181 13.378 -9.314 1.00 42.53 O ATOM 1195 CB GLU A 75 2.127 10.261 -10.168 1.00 23.21 C ATOM 1196 CG GLU A 75 3.204 9.266 -9.774 1.00 42.10 C ATOM 1197 CD GLU A 75 3.890 8.646 -10.961 1.00 75.15 C ATOM 1198 OE1 GLU A 75 3.420 7.602 -11.448 1.00 24.42 O ATOM 1199 OE2 GLU A 75 4.915 9.196 -11.414 1.00 24.42 O ATOM 0 H GLU A 75 0.703 9.204 -8.403 1.00 53.33 H new ATOM 0 HA GLU A 75 2.414 11.416 -8.414 1.00 34.32 H new ATOM 0 HB2 GLU A 75 1.315 9.730 -10.665 1.00 23.21 H new ATOM 0 HB3 GLU A 75 2.538 10.964 -10.892 1.00 23.21 H new ATOM 0 HG2 GLU A 75 3.946 9.768 -9.153 1.00 42.10 H new ATOM 0 HG3 GLU A 75 2.759 8.479 -9.165 1.00 42.10 H new ATOM 1206 N ARG A 76 -0.449 11.966 -9.991 1.00 31.22 N ATOM 1207 CA ARG A 76 -1.424 13.018 -10.344 1.00 20.03 C ATOM 1208 C ARG A 76 -1.661 14.029 -9.202 1.00 25.13 C ATOM 1209 O ARG A 76 -2.066 15.162 -9.449 1.00 64.33 O ATOM 1210 CB ARG A 76 -2.755 12.366 -10.728 1.00 13.41 C ATOM 1211 CG ARG A 76 -3.283 11.407 -9.668 1.00 24.50 C ATOM 1212 CD ARG A 76 -4.610 10.791 -10.065 1.00 75.20 C ATOM 1213 NE ARG A 76 -5.691 11.776 -10.091 1.00 25.31 N ATOM 1214 CZ ARG A 76 -6.978 11.473 -10.263 1.00 73.25 C ATOM 1215 NH1 ARG A 76 -7.354 10.203 -10.403 1.00 60.05 N ATOM 1216 NH2 ARG A 76 -7.887 12.437 -10.283 1.00 70.03 N ATOM 0 H ARG A 76 -0.767 11.021 -10.207 1.00 31.22 H new ATOM 0 HA ARG A 76 -1.006 13.575 -11.183 1.00 20.03 H new ATOM 0 HB2 ARG A 76 -3.496 13.146 -10.905 1.00 13.41 H new ATOM 0 HB3 ARG A 76 -2.630 11.826 -11.667 1.00 13.41 H new ATOM 0 HG2 ARG A 76 -2.553 10.616 -9.500 1.00 24.50 H new ATOM 0 HG3 ARG A 76 -3.399 11.939 -8.724 1.00 24.50 H new ATOM 0 HD2 ARG A 76 -4.515 10.332 -11.049 1.00 75.20 H new ATOM 0 HD3 ARG A 76 -4.863 9.995 -9.365 1.00 75.20 H new ATOM 0 HE ARG A 76 -5.444 12.758 -9.970 1.00 25.31 H new ATOM 0 HH11 ARG A 76 -6.657 9.459 -10.379 1.00 60.05 H new ATOM 0 HH12 ARG A 76 -8.339 9.974 -10.534 1.00 60.05 H new ATOM 0 HH21 ARG A 76 -7.602 13.409 -10.167 1.00 70.03 H new ATOM 0 HH22 ARG A 76 -8.872 12.207 -10.415 1.00 70.03 H new ATOM 1230 N GLU A 77 -1.377 13.627 -7.975 1.00 14.22 N ATOM 1231 CA GLU A 77 -1.588 14.486 -6.820 1.00 23.41 C ATOM 1232 C GLU A 77 -0.371 15.368 -6.606 1.00 24.12 C ATOM 1233 O GLU A 77 -0.481 16.515 -6.194 1.00 12.12 O ATOM 1234 CB GLU A 77 -1.850 13.645 -5.572 1.00 23.05 C ATOM 1235 CG GLU A 77 -3.133 12.843 -5.632 1.00 61.40 C ATOM 1236 CD GLU A 77 -4.357 13.724 -5.627 1.00 51.23 C ATOM 1237 OE1 GLU A 77 -4.787 14.134 -4.529 1.00 12.33 O ATOM 1238 OE2 GLU A 77 -4.905 14.008 -6.714 1.00 12.32 O ATOM 0 H GLU A 77 -0.998 12.707 -7.751 1.00 14.22 H new ATOM 0 HA GLU A 77 -2.459 15.115 -7.004 1.00 23.41 H new ATOM 0 HB2 GLU A 77 -1.013 12.963 -5.423 1.00 23.05 H new ATOM 0 HB3 GLU A 77 -1.884 14.302 -4.703 1.00 23.05 H new ATOM 0 HG2 GLU A 77 -3.133 12.229 -6.532 1.00 61.40 H new ATOM 0 HG3 GLU A 77 -3.174 12.162 -4.782 1.00 61.40 H new ATOM 1245 N MET A 78 0.786 14.818 -6.907 1.00 74.03 N ATOM 1246 CA MET A 78 2.046 15.529 -6.774 1.00 73.24 C ATOM 1247 C MET A 78 2.169 16.596 -7.857 1.00 65.24 C ATOM 1248 O MET A 78 2.507 17.744 -7.583 1.00 55.10 O ATOM 1249 CB MET A 78 3.209 14.537 -6.880 1.00 65.11 C ATOM 1250 CG MET A 78 4.586 15.163 -6.743 1.00 1.11 C ATOM 1251 SD MET A 78 4.853 15.916 -5.129 1.00 43.12 S ATOM 1252 CE MET A 78 6.566 16.405 -5.293 1.00 42.11 C ATOM 0 H MET A 78 0.883 13.863 -7.252 1.00 74.03 H new ATOM 0 HA MET A 78 2.077 16.018 -5.800 1.00 73.24 H new ATOM 0 HB2 MET A 78 3.092 13.776 -6.109 1.00 65.11 H new ATOM 0 HB3 MET A 78 3.149 14.028 -7.842 1.00 65.11 H new ATOM 0 HG2 MET A 78 5.346 14.400 -6.913 1.00 1.11 H new ATOM 0 HG3 MET A 78 4.715 15.919 -7.517 1.00 1.11 H new ATOM 0 HE1 MET A 78 7.158 15.924 -4.514 1.00 42.11 H new ATOM 0 HE2 MET A 78 6.939 16.102 -6.271 1.00 42.11 H new ATOM 0 HE3 MET A 78 6.647 17.487 -5.193 1.00 42.11 H new ATOM 1262 N LYS A 79 1.872 16.202 -9.086 1.00 71.25 N ATOM 1263 CA LYS A 79 1.971 17.102 -10.231 1.00 65.25 C ATOM 1264 C LYS A 79 0.970 18.267 -10.143 1.00 64.44 C ATOM 1265 O LYS A 79 1.181 19.321 -10.746 1.00 41.45 O ATOM 1266 CB LYS A 79 1.812 16.321 -11.556 1.00 65.32 C ATOM 1267 CG LYS A 79 0.436 15.702 -11.786 1.00 0.25 C ATOM 1268 CD LYS A 79 -0.530 16.688 -12.434 1.00 24.23 C ATOM 1269 CE LYS A 79 -1.919 16.097 -12.568 1.00 23.25 C ATOM 1270 NZ LYS A 79 -2.857 17.021 -13.252 1.00 25.44 N ATOM 0 H LYS A 79 1.558 15.260 -9.319 1.00 71.25 H new ATOM 0 HA LYS A 79 2.967 17.544 -10.212 1.00 65.25 H new ATOM 0 HB2 LYS A 79 2.033 16.994 -12.384 1.00 65.32 H new ATOM 0 HB3 LYS A 79 2.559 15.527 -11.583 1.00 65.32 H new ATOM 0 HG2 LYS A 79 0.536 14.821 -12.420 1.00 0.25 H new ATOM 0 HG3 LYS A 79 0.026 15.364 -10.834 1.00 0.25 H new ATOM 0 HD2 LYS A 79 -0.577 17.599 -11.837 1.00 24.23 H new ATOM 0 HD3 LYS A 79 -0.157 16.971 -13.418 1.00 24.23 H new ATOM 0 HE2 LYS A 79 -1.862 15.162 -13.125 1.00 23.25 H new ATOM 0 HE3 LYS A 79 -2.306 15.856 -11.578 1.00 23.25 H new ATOM 0 HZ1 LYS A 79 -3.794 16.576 -13.321 1.00 25.44 H new ATOM 0 HZ2 LYS A 79 -2.933 17.904 -12.708 1.00 25.44 H new ATOM 0 HZ3 LYS A 79 -2.502 17.232 -14.207 1.00 25.44 H new ATOM 1284 N THR A 80 -0.106 18.081 -9.386 1.00 31.40 N ATOM 1285 CA THR A 80 -1.121 19.117 -9.247 1.00 24.22 C ATOM 1286 C THR A 80 -0.888 19.935 -7.973 1.00 23.34 C ATOM 1287 O THR A 80 -1.616 20.888 -7.687 1.00 15.40 O ATOM 1288 CB THR A 80 -2.555 18.507 -9.221 1.00 34.30 C ATOM 1289 OG1 THR A 80 -3.536 19.534 -9.426 1.00 72.00 O ATOM 1290 CG2 THR A 80 -2.832 17.815 -7.891 1.00 73.52 C ATOM 0 H THR A 80 -0.297 17.227 -8.862 1.00 31.40 H new ATOM 0 HA THR A 80 -1.039 19.772 -10.114 1.00 24.22 H new ATOM 0 HB THR A 80 -2.617 17.772 -10.023 1.00 34.30 H new ATOM 0 HG1 THR A 80 -3.288 20.331 -8.912 1.00 72.00 H new ATOM 0 HG21 THR A 80 -3.839 17.399 -7.900 1.00 73.52 H new ATOM 0 HG22 THR A 80 -2.109 17.013 -7.741 1.00 73.52 H new ATOM 0 HG23 THR A 80 -2.746 18.538 -7.080 1.00 73.52 H new ATOM 1298 N TYR A 81 0.132 19.561 -7.224 1.00 53.11 N ATOM 1299 CA TYR A 81 0.447 20.218 -5.973 1.00 62.55 C ATOM 1300 C TYR A 81 1.743 21.011 -6.092 1.00 30.42 C ATOM 1301 O TYR A 81 2.749 20.509 -6.601 1.00 1.21 O ATOM 1302 CB TYR A 81 0.559 19.175 -4.854 1.00 30.50 C ATOM 1303 CG TYR A 81 0.910 19.746 -3.502 1.00 55.13 C ATOM 1304 CD1 TYR A 81 -0.062 20.313 -2.693 1.00 23.35 C ATOM 1305 CD2 TYR A 81 2.215 19.714 -3.033 1.00 15.41 C ATOM 1306 CE1 TYR A 81 0.257 20.832 -1.456 1.00 2.25 C ATOM 1307 CE2 TYR A 81 2.541 20.231 -1.798 1.00 64.20 C ATOM 1308 CZ TYR A 81 1.560 20.788 -1.014 1.00 44.30 C ATOM 1309 OH TYR A 81 1.880 21.302 0.221 1.00 1.13 O ATOM 0 H TYR A 81 0.762 18.796 -7.466 1.00 53.11 H new ATOM 0 HA TYR A 81 -0.355 20.915 -5.731 1.00 62.55 H new ATOM 0 HB2 TYR A 81 -0.388 18.642 -4.775 1.00 30.50 H new ATOM 0 HB3 TYR A 81 1.315 18.441 -5.132 1.00 30.50 H new ATOM 0 HD1 TYR A 81 -1.085 20.349 -3.037 1.00 23.35 H new ATOM 0 HD2 TYR A 81 2.989 19.276 -3.646 1.00 15.41 H new ATOM 0 HE1 TYR A 81 -0.512 21.271 -0.837 1.00 2.25 H new ATOM 0 HE2 TYR A 81 3.562 20.198 -1.448 1.00 64.20 H new ATOM 0 HH TYR A 81 1.283 20.922 0.898 1.00 1.13 H new ATOM 1319 N ILE A 82 1.708 22.251 -5.641 1.00 1.52 N ATOM 1320 CA ILE A 82 2.885 23.103 -5.657 1.00 52.50 C ATOM 1321 C ILE A 82 3.329 23.388 -4.217 1.00 54.13 C ATOM 1322 O ILE A 82 2.719 24.208 -3.518 1.00 13.43 O ATOM 1323 CB ILE A 82 2.641 24.452 -6.415 1.00 72.34 C ATOM 1324 CG1 ILE A 82 2.346 24.215 -7.912 1.00 5.30 C ATOM 1325 CG2 ILE A 82 3.841 25.376 -6.268 1.00 43.05 C ATOM 1326 CD1 ILE A 82 0.943 23.722 -8.210 1.00 3.12 C ATOM 0 H ILE A 82 0.873 22.694 -5.257 1.00 1.52 H new ATOM 0 HA ILE A 82 3.668 22.570 -6.197 1.00 52.50 H new ATOM 0 HB ILE A 82 1.768 24.924 -5.964 1.00 72.34 H new ATOM 0 HG12 ILE A 82 2.512 25.146 -8.453 1.00 5.30 H new ATOM 0 HG13 ILE A 82 3.062 23.490 -8.299 1.00 5.30 H new ATOM 0 HG21 ILE A 82 3.651 26.307 -6.802 1.00 43.05 H new ATOM 0 HG22 ILE A 82 4.008 25.590 -5.212 1.00 43.05 H new ATOM 0 HG23 ILE A 82 4.725 24.893 -6.684 1.00 43.05 H new ATOM 0 HD11 ILE A 82 0.827 23.584 -9.285 1.00 3.12 H new ATOM 0 HD12 ILE A 82 0.775 22.773 -7.702 1.00 3.12 H new ATOM 0 HD13 ILE A 82 0.217 24.455 -7.858 1.00 3.12 H new ATOM 1338 N PRO A 83 4.380 22.691 -3.748 1.00 11.24 N ATOM 1339 CA PRO A 83 4.879 22.832 -2.378 1.00 32.30 C ATOM 1340 C PRO A 83 5.537 24.184 -2.127 1.00 42.20 C ATOM 1341 O PRO A 83 6.353 24.649 -2.929 1.00 33.12 O ATOM 1342 CB PRO A 83 5.928 21.709 -2.246 1.00 62.12 C ATOM 1343 CG PRO A 83 5.733 20.838 -3.441 1.00 51.00 C ATOM 1344 CD PRO A 83 5.162 21.716 -4.511 1.00 21.00 C ATOM 0 HA PRO A 83 4.066 22.766 -1.655 1.00 32.30 H new ATOM 0 HB2 PRO A 83 6.938 22.117 -2.219 1.00 62.12 H new ATOM 0 HB3 PRO A 83 5.786 21.146 -1.323 1.00 62.12 H new ATOM 0 HG2 PRO A 83 6.678 20.399 -3.761 1.00 51.00 H new ATOM 0 HG3 PRO A 83 5.059 20.012 -3.215 1.00 51.00 H new ATOM 0 HD2 PRO A 83 5.943 22.196 -5.100 1.00 21.00 H new ATOM 0 HD3 PRO A 83 4.539 21.153 -5.206 1.00 21.00 H new ATOM 1352 N PRO A 84 5.179 24.839 -1.015 1.00 52.21 N ATOM 1353 CA PRO A 84 5.775 26.112 -0.630 1.00 52.15 C ATOM 1354 C PRO A 84 7.195 25.910 -0.122 1.00 73.25 C ATOM 1355 O PRO A 84 7.473 24.958 0.616 1.00 52.20 O ATOM 1356 CB PRO A 84 4.866 26.607 0.498 1.00 41.44 C ATOM 1357 CG PRO A 84 4.282 25.369 1.084 1.00 12.02 C ATOM 1358 CD PRO A 84 4.163 24.384 -0.044 1.00 10.30 C ATOM 0 HA PRO A 84 5.847 26.815 -1.460 1.00 52.15 H new ATOM 0 HB2 PRO A 84 5.429 27.170 1.242 1.00 41.44 H new ATOM 0 HB3 PRO A 84 4.089 27.270 0.118 1.00 41.44 H new ATOM 0 HG2 PRO A 84 4.918 24.977 1.877 1.00 12.02 H new ATOM 0 HG3 PRO A 84 3.307 25.571 1.528 1.00 12.02 H new ATOM 0 HD2 PRO A 84 4.358 23.365 0.292 1.00 10.30 H new ATOM 0 HD3 PRO A 84 3.163 24.391 -0.478 1.00 10.30 H new ATOM 1366 N LYS A 85 8.094 26.779 -0.522 1.00 55.33 N ATOM 1367 CA LYS A 85 9.473 26.653 -0.119 1.00 34.33 C ATOM 1368 C LYS A 85 9.709 27.234 1.262 1.00 51.20 C ATOM 1369 O LYS A 85 9.906 28.443 1.419 1.00 21.43 O ATOM 1370 CB LYS A 85 10.412 27.299 -1.140 1.00 23.03 C ATOM 1371 CG LYS A 85 10.551 26.523 -2.447 1.00 31.33 C ATOM 1372 CD LYS A 85 11.086 25.108 -2.218 1.00 32.40 C ATOM 1373 CE LYS A 85 12.416 25.111 -1.464 1.00 71.13 C ATOM 1374 NZ LYS A 85 13.500 25.790 -2.226 1.00 62.23 N ATOM 0 H LYS A 85 7.895 27.578 -1.124 1.00 55.33 H new ATOM 0 HA LYS A 85 9.696 25.587 -0.076 1.00 34.33 H new ATOM 0 HB2 LYS A 85 10.051 28.303 -1.364 1.00 23.03 H new ATOM 0 HB3 LYS A 85 11.399 27.409 -0.690 1.00 23.03 H new ATOM 0 HG2 LYS A 85 9.581 26.468 -2.941 1.00 31.33 H new ATOM 0 HG3 LYS A 85 11.221 27.060 -3.118 1.00 31.33 H new ATOM 0 HD2 LYS A 85 10.352 24.530 -1.656 1.00 32.40 H new ATOM 0 HD3 LYS A 85 11.216 24.610 -3.179 1.00 32.40 H new ATOM 0 HE2 LYS A 85 12.285 25.609 -0.503 1.00 71.13 H new ATOM 0 HE3 LYS A 85 12.713 24.084 -1.253 1.00 71.13 H new ATOM 0 HZ1 LYS A 85 14.184 25.082 -2.562 1.00 62.23 H new ATOM 0 HZ2 LYS A 85 13.091 26.291 -3.041 1.00 62.23 H new ATOM 0 HZ3 LYS A 85 13.984 26.472 -1.608 1.00 62.23 H new ATOM 1388 N GLY A 86 9.667 26.375 2.260 1.00 51.34 N ATOM 1389 CA GLY A 86 9.942 26.796 3.612 1.00 43.00 C ATOM 1390 C GLY A 86 11.414 26.683 3.909 1.00 24.10 C ATOM 1391 O GLY A 86 11.838 25.810 4.668 1.00 21.42 O ATOM 0 H GLY A 86 9.445 25.385 2.158 1.00 51.34 H new ATOM 0 HA2 GLY A 86 9.614 27.826 3.752 1.00 43.00 H new ATOM 0 HA3 GLY A 86 9.375 26.183 4.313 1.00 43.00 H new ATOM 1395 N GLU A 87 12.190 27.555 3.292 1.00 60.22 N ATOM 1396 CA GLU A 87 13.632 27.535 3.415 1.00 62.24 C ATOM 1397 C GLU A 87 14.062 27.888 4.832 1.00 73.22 C ATOM 1398 O GLU A 87 14.065 29.088 5.175 1.00 0.00 O ATOM 1399 CB GLU A 87 14.256 28.502 2.411 1.00 61.21 C ATOM 1400 CG GLU A 87 15.566 28.013 1.822 1.00 23.31 C ATOM 1401 CD GLU A 87 15.389 26.757 0.995 1.00 71.32 C ATOM 1402 OE1 GLU A 87 14.986 26.867 -0.184 1.00 41.33 O ATOM 1403 OE2 GLU A 87 15.652 25.655 1.515 1.00 31.10 O ATOM 1404 OXT GLU A 87 14.400 26.963 5.597 1.00 0.00 O ATOM 0 H GLU A 87 11.835 28.298 2.690 1.00 60.22 H new ATOM 0 HA GLU A 87 13.982 26.526 3.199 1.00 62.24 H new ATOM 0 HB2 GLU A 87 13.548 28.678 1.601 1.00 61.21 H new ATOM 0 HB3 GLU A 87 14.424 29.461 2.901 1.00 61.21 H new ATOM 0 HG2 GLU A 87 15.998 28.797 1.200 1.00 23.31 H new ATOM 0 HG3 GLU A 87 16.274 27.819 2.627 1.00 23.31 H new TER 1411 GLU A 87