USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 645 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 21 ASN : amide:sc= -0.679! C(o=0.56!,f=-4.5!) USER MOD Set 1.2: A 23 ASN : amide:sc= 0.69 K(o=0.56,f=-0.79) USER MOD Set 1.3: A 67 THR OG1 : rot 180:sc= 0.553 USER MOD Set 2.1: A 44 SER OG : rot -104:sc= 0.819 USER MOD Set 2.2: A 46 THR OG1 : rot 98:sc= 1.2 USER MOD Set 3.1: A 31 HIS : no HD1:sc= 0.258 K(o=0.25,f=-7.9!) USER MOD Set 3.2: A 59 THR OG1 : rot -50:sc= -0.0066 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.26 (180deg=0.719) USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.0579 (180deg=-0.382) USER MOD Single : A 9 TYR OH : rot 57:sc= 1.46 USER MOD Single : A 11 SER OG : rot 99:sc= 1.22 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.28 K(o=-0.28,f=-0.98) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 168:sc= 0.268 USER MOD Single : A 30 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.16) USER MOD Single : A 35 LYS NZ :NH3+ 145:sc= -1.21! (180deg=-3.3!) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.16) USER MOD Single : A 41 HIS : no HD1:sc= -0.998! C(o=-1!,f=-3.4!) USER MOD Single : A 43 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.67) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -147:sc= 0.99 USER MOD Single : A 52 SER OG : rot 42:sc= -0.119 USER MOD Single : A 55 THR OG1 : rot -81:sc= 1.26 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -139:sc= 1.06 (180deg=-2.37!) USER MOD Single : A 64 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=-0.03) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.677 K(o=-0.68,f=-1.3) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 45.828 -8.539 2.735 1.00 0.00 N ATOM 2 CA MET A 1 47.224 -8.651 2.258 1.00 0.00 C ATOM 3 C MET A 1 47.807 -9.996 2.660 1.00 0.00 C ATOM 4 O MET A 1 48.052 -10.247 3.839 1.00 0.00 O ATOM 5 CB MET A 1 48.096 -7.525 2.830 1.00 0.00 C ATOM 6 CG MET A 1 47.708 -6.131 2.360 1.00 0.00 C ATOM 7 SD MET A 1 46.113 -5.588 3.004 1.00 0.00 S ATOM 8 CE MET A 1 45.975 -3.968 2.248 1.00 0.00 C ATOM 0 H1 MET A 1 45.546 -7.538 2.750 1.00 0.00 H new ATOM 0 H2 MET A 1 45.199 -9.066 2.096 1.00 0.00 H new ATOM 0 H3 MET A 1 45.756 -8.934 3.695 1.00 0.00 H new ATOM 0 HA MET A 1 47.215 -8.566 1.171 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.042 -7.557 3.918 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.135 -7.712 2.557 1.00 0.00 H new ATOM 0 HG2 MET A 1 48.478 -5.423 2.667 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.678 -6.116 1.271 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.037 -3.503 2.552 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.809 -3.344 2.569 1.00 0.00 H new ATOM 0 HE3 MET A 1 45.995 -4.070 1.163 1.00 0.00 H new ATOM 20 N ALA A 2 48.014 -10.863 1.680 1.00 0.00 N ATOM 21 CA ALA A 2 48.583 -12.180 1.927 1.00 0.00 C ATOM 22 C ALA A 2 49.250 -12.711 0.669 1.00 0.00 C ATOM 23 O ALA A 2 48.811 -12.419 -0.446 1.00 0.00 O ATOM 24 CB ALA A 2 47.511 -13.149 2.404 1.00 0.00 C ATOM 0 H ALA A 2 47.795 -10.677 0.701 1.00 0.00 H new ATOM 0 HA ALA A 2 49.335 -12.087 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 2 47.958 -14.127 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 2 47.070 -12.777 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 2 46.736 -13.238 1.643 1.00 0.00 H new ATOM 30 N GLY A 3 50.315 -13.472 0.849 1.00 0.00 N ATOM 31 CA GLY A 3 51.007 -14.052 -0.280 1.00 0.00 C ATOM 32 C GLY A 3 52.501 -13.840 -0.203 1.00 0.00 C ATOM 33 O GLY A 3 52.968 -12.914 0.460 1.00 0.00 O ATOM 0 H GLY A 3 50.714 -13.699 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 3 50.795 -15.120 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 3 50.626 -13.613 -1.202 1.00 0.00 H new ATOM 37 N ASP A 4 53.252 -14.700 -0.868 1.00 0.00 N ATOM 38 CA ASP A 4 54.703 -14.601 -0.874 1.00 0.00 C ATOM 39 C ASP A 4 55.187 -13.907 -2.141 1.00 0.00 C ATOM 40 O ASP A 4 55.040 -14.425 -3.247 1.00 0.00 O ATOM 41 CB ASP A 4 55.347 -15.988 -0.731 1.00 0.00 C ATOM 42 CG ASP A 4 54.931 -16.971 -1.815 1.00 0.00 C ATOM 43 OD1 ASP A 4 53.714 -17.236 -1.953 1.00 0.00 O ATOM 44 OD2 ASP A 4 55.821 -17.520 -2.499 1.00 0.00 O ATOM 0 H ASP A 4 52.880 -15.478 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 4 55.007 -14.000 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 4 56.431 -15.879 -0.749 1.00 0.00 H new ATOM 0 HB3 ASP A 4 55.084 -16.402 0.243 1.00 0.00 H new ATOM 49 N PRO A 5 55.758 -12.704 -1.994 1.00 0.00 N ATOM 50 CA PRO A 5 56.242 -11.912 -3.116 1.00 0.00 C ATOM 51 C PRO A 5 57.706 -12.200 -3.445 1.00 0.00 C ATOM 52 O PRO A 5 58.398 -11.361 -4.019 1.00 0.00 O ATOM 53 CB PRO A 5 56.077 -10.490 -2.591 1.00 0.00 C ATOM 54 CG PRO A 5 56.338 -10.596 -1.124 1.00 0.00 C ATOM 55 CD PRO A 5 55.968 -12.003 -0.713 1.00 0.00 C ATOM 0 HA PRO A 5 55.708 -12.118 -4.044 1.00 0.00 H new ATOM 0 HB2 PRO A 5 56.779 -9.807 -3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 5 55.075 -10.108 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 5 57.386 -10.392 -0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 5 55.747 -9.865 -0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 5 56.760 -12.470 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 5 55.068 -12.016 -0.098 1.00 0.00 H new ATOM 63 N LEU A 6 58.162 -13.396 -3.095 1.00 0.00 N ATOM 64 CA LEU A 6 59.551 -13.782 -3.298 1.00 0.00 C ATOM 65 C LEU A 6 59.762 -14.240 -4.741 1.00 0.00 C ATOM 66 O LEU A 6 59.239 -15.273 -5.156 1.00 0.00 O ATOM 67 CB LEU A 6 59.929 -14.894 -2.303 1.00 0.00 C ATOM 68 CG LEU A 6 61.422 -15.238 -2.199 1.00 0.00 C ATOM 69 CD1 LEU A 6 61.714 -15.893 -0.859 1.00 0.00 C ATOM 70 CD2 LEU A 6 61.848 -16.168 -3.326 1.00 0.00 C ATOM 0 H LEU A 6 57.585 -14.119 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 6 60.198 -12.923 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 6 59.576 -14.602 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 6 59.388 -15.799 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 6 61.989 -14.311 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 6 62.775 -16.133 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 6 61.448 -15.208 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 6 61.129 -16.808 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 6 62.910 -16.396 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 6 61.272 -17.092 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 6 61.668 -15.683 -4.286 1.00 0.00 H new ATOM 82 N PRO A 7 60.519 -13.462 -5.531 1.00 0.00 N ATOM 83 CA PRO A 7 60.816 -13.797 -6.920 1.00 0.00 C ATOM 84 C PRO A 7 61.889 -14.877 -7.021 1.00 0.00 C ATOM 85 O PRO A 7 61.681 -15.922 -7.638 1.00 0.00 O ATOM 86 CB PRO A 7 61.323 -12.474 -7.520 1.00 0.00 C ATOM 87 CG PRO A 7 61.174 -11.444 -6.443 1.00 0.00 C ATOM 88 CD PRO A 7 61.137 -12.192 -5.143 1.00 0.00 C ATOM 0 HA PRO A 7 59.946 -14.197 -7.440 1.00 0.00 H new ATOM 0 HB2 PRO A 7 62.363 -12.562 -7.834 1.00 0.00 H new ATOM 0 HB3 PRO A 7 60.746 -12.200 -8.403 1.00 0.00 H new ATOM 0 HG2 PRO A 7 62.005 -10.739 -6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 7 60.262 -10.864 -6.584 1.00 0.00 H new ATOM 0 HD2 PRO A 7 62.135 -12.335 -4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 7 60.550 -11.668 -4.389 1.00 0.00 H new ATOM 96 N LYS A 8 63.041 -14.614 -6.412 1.00 0.00 N ATOM 97 CA LYS A 8 64.136 -15.573 -6.390 1.00 0.00 C ATOM 98 C LYS A 8 65.143 -15.208 -5.307 1.00 0.00 C ATOM 99 O LYS A 8 65.324 -15.951 -4.343 1.00 0.00 O ATOM 100 CB LYS A 8 64.832 -15.638 -7.752 1.00 0.00 C ATOM 101 CG LYS A 8 65.923 -16.691 -7.828 1.00 0.00 C ATOM 102 CD LYS A 8 66.529 -16.768 -9.217 1.00 0.00 C ATOM 103 CE LYS A 8 67.575 -17.866 -9.305 1.00 0.00 C ATOM 104 NZ LYS A 8 67.002 -19.206 -9.005 1.00 0.00 N ATOM 0 H LYS A 8 63.239 -13.740 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 8 63.719 -16.555 -6.168 1.00 0.00 H new ATOM 0 HB2 LYS A 8 64.088 -15.842 -8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 8 65.264 -14.663 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 8 66.703 -16.461 -7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 8 65.511 -17.663 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 8 65.743 -16.953 -9.949 1.00 0.00 H new ATOM 0 HD3 LYS A 8 66.983 -15.810 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 8 68.010 -17.873 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 8 68.384 -17.653 -8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 67.657 -19.945 -9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 66.858 -19.300 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 66.090 -19.311 -9.493 1.00 0.00 H new ATOM 118 N TYR A 9 65.799 -14.066 -5.467 1.00 0.00 N ATOM 119 CA TYR A 9 66.767 -13.613 -4.482 1.00 0.00 C ATOM 120 C TYR A 9 66.613 -12.115 -4.223 1.00 0.00 C ATOM 121 O TYR A 9 66.092 -11.713 -3.187 1.00 0.00 O ATOM 122 CB TYR A 9 68.193 -13.933 -4.944 1.00 0.00 C ATOM 123 CG TYR A 9 69.244 -13.741 -3.873 1.00 0.00 C ATOM 124 CD1 TYR A 9 69.663 -12.471 -3.502 1.00 0.00 C ATOM 125 CD2 TYR A 9 69.814 -14.832 -3.230 1.00 0.00 C ATOM 126 CE1 TYR A 9 70.618 -12.290 -2.524 1.00 0.00 C ATOM 127 CE2 TYR A 9 70.772 -14.659 -2.249 1.00 0.00 C ATOM 128 CZ TYR A 9 71.168 -13.385 -1.900 1.00 0.00 C ATOM 129 OH TYR A 9 72.117 -13.205 -0.924 1.00 0.00 O ATOM 0 H TYR A 9 65.678 -13.442 -6.264 1.00 0.00 H new ATOM 0 HA TYR A 9 66.578 -14.143 -3.549 1.00 0.00 H new ATOM 0 HB2 TYR A 9 68.228 -14.965 -5.292 1.00 0.00 H new ATOM 0 HB3 TYR A 9 68.438 -13.300 -5.797 1.00 0.00 H new ATOM 0 HD1 TYR A 9 69.233 -11.608 -3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 9 69.504 -15.831 -3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 9 70.932 -11.294 -2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 9 71.208 -15.517 -1.758 1.00 0.00 H new ATOM 0 HH TYR A 9 71.753 -12.636 -0.214 1.00 0.00 H new ATOM 139 N TRP A 10 67.039 -11.296 -5.178 1.00 0.00 N ATOM 140 CA TRP A 10 67.055 -9.847 -4.987 1.00 0.00 C ATOM 141 C TRP A 10 65.678 -9.229 -5.201 1.00 0.00 C ATOM 142 O TRP A 10 65.152 -9.222 -6.318 1.00 0.00 O ATOM 143 CB TRP A 10 68.069 -9.184 -5.928 1.00 0.00 C ATOM 144 CG TRP A 10 69.487 -9.558 -5.630 1.00 0.00 C ATOM 145 CD1 TRP A 10 70.188 -9.264 -4.498 1.00 0.00 C ATOM 146 CD2 TRP A 10 70.384 -10.283 -6.482 1.00 0.00 C ATOM 147 NE1 TRP A 10 71.461 -9.771 -4.586 1.00 0.00 N ATOM 148 CE2 TRP A 10 71.608 -10.399 -5.796 1.00 0.00 C ATOM 149 CE3 TRP A 10 70.271 -10.846 -7.757 1.00 0.00 C ATOM 150 CZ2 TRP A 10 72.709 -11.058 -6.341 1.00 0.00 C ATOM 151 CZ3 TRP A 10 71.362 -11.500 -8.296 1.00 0.00 C ATOM 152 CH2 TRP A 10 72.568 -11.600 -7.589 1.00 0.00 C ATOM 0 H TRP A 10 67.377 -11.607 -6.089 1.00 0.00 H new ATOM 0 HA TRP A 10 67.351 -9.667 -3.953 1.00 0.00 H new ATOM 0 HB2 TRP A 10 67.836 -9.462 -6.956 1.00 0.00 H new ATOM 0 HB3 TRP A 10 67.964 -8.101 -5.859 1.00 0.00 H new ATOM 0 HD1 TRP A 10 69.799 -8.713 -3.655 1.00 0.00 H new ATOM 0 HE1 TRP A 10 72.181 -9.693 -3.868 1.00 0.00 H new ATOM 0 HE3 TRP A 10 69.347 -10.771 -8.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 73.639 -11.138 -5.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 71.284 -11.942 -9.279 1.00 0.00 H new ATOM 0 HH2 TRP A 10 73.403 -12.116 -8.039 1.00 0.00 H new ATOM 163 N SER A 11 65.100 -8.716 -4.125 1.00 0.00 N ATOM 164 CA SER A 11 63.832 -8.013 -4.202 1.00 0.00 C ATOM 165 C SER A 11 64.058 -6.541 -4.555 1.00 0.00 C ATOM 166 O SER A 11 63.312 -5.961 -5.346 1.00 0.00 O ATOM 167 CB SER A 11 63.088 -8.129 -2.870 1.00 0.00 C ATOM 168 OG SER A 11 63.092 -9.468 -2.403 1.00 0.00 O ATOM 0 H SER A 11 65.492 -8.775 -3.185 1.00 0.00 H new ATOM 0 HA SER A 11 63.227 -8.468 -4.986 1.00 0.00 H new ATOM 0 HB2 SER A 11 63.556 -7.480 -2.130 1.00 0.00 H new ATOM 0 HB3 SER A 11 62.061 -7.785 -2.991 1.00 0.00 H new ATOM 0 HG SER A 11 63.799 -9.579 -1.734 1.00 0.00 H new ATOM 174 N TYR A 12 65.097 -5.945 -3.979 1.00 0.00 N ATOM 175 CA TYR A 12 65.390 -4.535 -4.207 1.00 0.00 C ATOM 176 C TYR A 12 66.456 -4.371 -5.292 1.00 0.00 C ATOM 177 O TYR A 12 67.478 -5.063 -5.286 1.00 0.00 O ATOM 178 CB TYR A 12 65.858 -3.864 -2.912 1.00 0.00 C ATOM 179 CG TYR A 12 64.866 -3.962 -1.769 1.00 0.00 C ATOM 180 CD1 TYR A 12 63.575 -3.466 -1.896 1.00 0.00 C ATOM 181 CD2 TYR A 12 65.227 -4.543 -0.558 1.00 0.00 C ATOM 182 CE1 TYR A 12 62.671 -3.549 -0.852 1.00 0.00 C ATOM 183 CE2 TYR A 12 64.330 -4.633 0.488 1.00 0.00 C ATOM 184 CZ TYR A 12 63.055 -4.132 0.337 1.00 0.00 C ATOM 185 OH TYR A 12 62.162 -4.212 1.383 1.00 0.00 O ATOM 0 H TYR A 12 65.749 -6.416 -3.352 1.00 0.00 H new ATOM 0 HA TYR A 12 64.472 -4.052 -4.542 1.00 0.00 H new ATOM 0 HB2 TYR A 12 66.800 -4.316 -2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 12 66.061 -2.812 -3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 12 63.272 -3.008 -2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 12 66.227 -4.931 -0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 12 61.670 -3.159 -0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 12 64.626 -5.093 1.419 1.00 0.00 H new ATOM 0 HH TYR A 12 62.591 -4.652 2.146 1.00 0.00 H new ATOM 195 N PRO A 13 66.228 -3.453 -6.241 1.00 0.00 N ATOM 196 CA PRO A 13 67.145 -3.208 -7.355 1.00 0.00 C ATOM 197 C PRO A 13 68.275 -2.238 -7.002 1.00 0.00 C ATOM 198 O PRO A 13 68.303 -1.654 -5.916 1.00 0.00 O ATOM 199 CB PRO A 13 66.227 -2.588 -8.405 1.00 0.00 C ATOM 200 CG PRO A 13 65.210 -1.837 -7.614 1.00 0.00 C ATOM 201 CD PRO A 13 65.042 -2.580 -6.310 1.00 0.00 C ATOM 0 HA PRO A 13 67.655 -4.118 -7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 13 66.778 -1.926 -9.073 1.00 0.00 H new ATOM 0 HB3 PRO A 13 65.761 -3.353 -9.026 1.00 0.00 H new ATOM 0 HG2 PRO A 13 65.537 -0.812 -7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 13 64.264 -1.781 -8.153 1.00 0.00 H new ATOM 0 HD2 PRO A 13 65.001 -1.895 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 13 64.119 -3.159 -6.297 1.00 0.00 H new ATOM 209 N VAL A 14 69.209 -2.075 -7.931 1.00 0.00 N ATOM 210 CA VAL A 14 70.311 -1.140 -7.763 1.00 0.00 C ATOM 211 C VAL A 14 69.842 0.287 -8.034 1.00 0.00 C ATOM 212 O VAL A 14 69.120 0.542 -9.001 1.00 0.00 O ATOM 213 CB VAL A 14 71.486 -1.479 -8.708 1.00 0.00 C ATOM 214 CG1 VAL A 14 72.590 -0.437 -8.610 1.00 0.00 C ATOM 215 CG2 VAL A 14 72.037 -2.861 -8.398 1.00 0.00 C ATOM 0 H VAL A 14 69.223 -2.584 -8.815 1.00 0.00 H new ATOM 0 HA VAL A 14 70.658 -1.223 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 14 71.105 -1.473 -9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 14 73.402 -0.703 -9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 14 72.194 0.540 -8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 14 72.966 -0.401 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 14 72.864 -3.083 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 14 72.392 -2.888 -7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 14 71.251 -3.604 -8.530 1.00 0.00 H new ATOM 225 N GLY A 15 70.251 1.209 -7.174 1.00 0.00 N ATOM 226 CA GLY A 15 69.876 2.598 -7.332 1.00 0.00 C ATOM 227 C GLY A 15 68.705 2.979 -6.453 1.00 0.00 C ATOM 228 O GLY A 15 68.268 4.131 -6.451 1.00 0.00 O ATOM 0 H GLY A 15 70.840 1.017 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.729 3.232 -7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 15 69.622 2.787 -8.375 1.00 0.00 H new ATOM 232 N LEU A 16 68.205 2.015 -5.696 1.00 0.00 N ATOM 233 CA LEU A 16 67.080 2.251 -4.812 1.00 0.00 C ATOM 234 C LEU A 16 67.542 2.920 -3.524 1.00 0.00 C ATOM 235 O LEU A 16 68.505 2.478 -2.890 1.00 0.00 O ATOM 236 CB LEU A 16 66.368 0.932 -4.492 1.00 0.00 C ATOM 237 CG LEU A 16 65.108 1.070 -3.634 1.00 0.00 C ATOM 238 CD1 LEU A 16 64.047 1.873 -4.369 1.00 0.00 C ATOM 239 CD2 LEU A 16 64.569 -0.299 -3.248 1.00 0.00 C ATOM 0 H LEU A 16 68.563 1.060 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 16 66.380 2.916 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 16 66.100 0.444 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 16 67.069 0.273 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 16 65.373 1.604 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 16 63.159 1.961 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 16 64.433 2.868 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 16 63.787 1.367 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 16 63.673 -0.179 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 16 64.322 -0.860 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 16 65.325 -0.841 -2.679 1.00 0.00 H new ATOM 251 N ALA A 17 66.874 4.003 -3.159 1.00 0.00 N ATOM 252 CA ALA A 17 67.138 4.670 -1.899 1.00 0.00 C ATOM 253 C ALA A 17 66.416 3.951 -0.767 1.00 0.00 C ATOM 254 O ALA A 17 65.212 3.697 -0.845 1.00 0.00 O ATOM 255 CB ALA A 17 66.711 6.126 -1.969 1.00 0.00 C ATOM 0 H ALA A 17 66.143 4.438 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 17 68.210 4.640 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 17 66.916 6.612 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.266 6.630 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 17 65.644 6.182 -2.183 1.00 0.00 H new ATOM 261 N VAL A 18 67.155 3.614 0.275 1.00 0.00 N ATOM 262 CA VAL A 18 66.599 2.900 1.413 1.00 0.00 C ATOM 263 C VAL A 18 67.067 3.537 2.713 1.00 0.00 C ATOM 264 O VAL A 18 67.983 4.358 2.716 1.00 0.00 O ATOM 265 CB VAL A 18 67.009 1.406 1.414 1.00 0.00 C ATOM 266 CG1 VAL A 18 66.416 0.674 0.218 1.00 0.00 C ATOM 267 CG2 VAL A 18 68.526 1.264 1.430 1.00 0.00 C ATOM 0 H VAL A 18 68.150 3.825 0.357 1.00 0.00 H new ATOM 0 HA VAL A 18 65.514 2.962 1.331 1.00 0.00 H new ATOM 0 HB VAL A 18 66.610 0.950 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 18 66.720 -0.372 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 18 65.328 0.737 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 18 66.774 1.133 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 18 68.793 0.207 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 18 68.946 1.744 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 18 68.927 1.740 2.325 1.00 0.00 H new ATOM 277 N GLU A 19 66.430 3.169 3.808 1.00 0.00 N ATOM 278 CA GLU A 19 66.871 3.595 5.120 1.00 0.00 C ATOM 279 C GLU A 19 67.228 2.378 5.960 1.00 0.00 C ATOM 280 O GLU A 19 66.649 1.302 5.786 1.00 0.00 O ATOM 281 CB GLU A 19 65.795 4.433 5.818 1.00 0.00 C ATOM 282 CG GLU A 19 64.467 3.715 6.012 1.00 0.00 C ATOM 283 CD GLU A 19 63.467 4.557 6.771 1.00 0.00 C ATOM 284 OE1 GLU A 19 63.525 4.572 8.019 1.00 0.00 O ATOM 285 OE2 GLU A 19 62.634 5.230 6.128 1.00 0.00 O ATOM 0 H GLU A 19 65.602 2.573 3.813 1.00 0.00 H new ATOM 0 HA GLU A 19 67.755 4.222 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.171 4.746 6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 19 65.623 5.339 5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.053 3.452 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.636 2.782 6.550 1.00 0.00 H new ATOM 292 N ILE A 20 68.190 2.542 6.848 1.00 0.00 N ATOM 293 CA ILE A 20 68.614 1.461 7.717 1.00 0.00 C ATOM 294 C ILE A 20 67.816 1.502 9.010 1.00 0.00 C ATOM 295 O ILE A 20 68.028 2.378 9.850 1.00 0.00 O ATOM 296 CB ILE A 20 70.124 1.530 8.063 1.00 0.00 C ATOM 297 CG1 ILE A 20 70.996 1.568 6.801 1.00 0.00 C ATOM 298 CG2 ILE A 20 70.516 0.344 8.932 1.00 0.00 C ATOM 299 CD1 ILE A 20 71.191 2.956 6.227 1.00 0.00 C ATOM 0 H ILE A 20 68.695 3.418 6.987 1.00 0.00 H new ATOM 0 HA ILE A 20 68.436 0.531 7.177 1.00 0.00 H new ATOM 0 HB ILE A 20 70.295 2.456 8.613 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.972 1.142 7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 20 70.544 0.932 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 20 71.578 0.402 9.169 1.00 0.00 H new ATOM 0 HG22 ILE A 20 69.937 0.362 9.855 1.00 0.00 H new ATOM 0 HG23 ILE A 20 70.314 -0.583 8.395 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.818 2.897 5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.222 3.379 5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.673 3.592 6.969 1.00 0.00 H new ATOM 311 N ASN A 21 66.892 0.569 9.164 1.00 0.00 N ATOM 312 CA ASN A 21 66.080 0.507 10.371 1.00 0.00 C ATOM 313 C ASN A 21 66.903 -0.026 11.543 1.00 0.00 C ATOM 314 O ASN A 21 67.946 -0.655 11.351 1.00 0.00 O ATOM 315 CB ASN A 21 64.829 -0.356 10.159 1.00 0.00 C ATOM 316 CG ASN A 21 65.143 -1.721 9.581 1.00 0.00 C ATOM 317 OD1 ASN A 21 65.523 -2.637 10.304 1.00 0.00 O ATOM 318 ND2 ASN A 21 64.940 -1.878 8.283 1.00 0.00 N ATOM 0 H ASN A 21 66.685 -0.153 8.474 1.00 0.00 H new ATOM 0 HA ASN A 21 65.752 1.520 10.604 1.00 0.00 H new ATOM 0 HB2 ASN A 21 64.314 -0.481 11.112 1.00 0.00 H new ATOM 0 HB3 ASN A 21 64.143 0.166 9.492 1.00 0.00 H new ATOM 0 HD21 ASN A 21 65.100 -2.787 7.848 1.00 0.00 H new ATOM 0 HD22 ASN A 21 64.624 -1.090 7.717 1.00 0.00 H new ATOM 325 N ASN A 22 66.420 0.218 12.756 1.00 0.00 N ATOM 326 CA ASN A 22 67.153 -0.135 13.977 1.00 0.00 C ATOM 327 C ASN A 22 67.052 -1.621 14.311 1.00 0.00 C ATOM 328 O ASN A 22 67.140 -2.009 15.470 1.00 0.00 O ATOM 329 CB ASN A 22 66.646 0.695 15.164 1.00 0.00 C ATOM 330 CG ASN A 22 67.316 2.054 15.270 1.00 0.00 C ATOM 331 OD1 ASN A 22 68.316 2.210 15.968 1.00 0.00 O ATOM 332 ND2 ASN A 22 66.773 3.048 14.584 1.00 0.00 N ATOM 0 H ASN A 22 65.518 0.662 12.926 1.00 0.00 H new ATOM 0 HA ASN A 22 68.203 0.090 13.789 1.00 0.00 H new ATOM 0 HB2 ASN A 22 65.569 0.834 15.069 1.00 0.00 H new ATOM 0 HB3 ASN A 22 66.816 0.140 16.087 1.00 0.00 H new ATOM 0 HD21 ASN A 22 67.185 3.980 14.624 1.00 0.00 H new ATOM 0 HD22 ASN A 22 65.943 2.881 14.015 1.00 0.00 H new ATOM 339 N ASN A 23 66.914 -2.450 13.291 1.00 0.00 N ATOM 340 CA ASN A 23 66.849 -3.894 13.494 1.00 0.00 C ATOM 341 C ASN A 23 68.189 -4.530 13.157 1.00 0.00 C ATOM 342 O ASN A 23 68.386 -5.734 13.319 1.00 0.00 O ATOM 343 CB ASN A 23 65.725 -4.531 12.674 1.00 0.00 C ATOM 344 CG ASN A 23 64.354 -4.096 13.152 1.00 0.00 C ATOM 345 OD1 ASN A 23 63.795 -4.675 14.083 1.00 0.00 O ATOM 346 ND2 ASN A 23 63.795 -3.087 12.508 1.00 0.00 N ATOM 0 H ASN A 23 66.845 -2.154 12.317 1.00 0.00 H new ATOM 0 HA ASN A 23 66.625 -4.076 14.545 1.00 0.00 H new ATOM 0 HB2 ASN A 23 65.845 -4.262 11.625 1.00 0.00 H new ATOM 0 HB3 ASN A 23 65.802 -5.617 12.735 1.00 0.00 H new ATOM 0 HD21 ASN A 23 62.867 -2.761 12.778 1.00 0.00 H new ATOM 0 HD22 ASN A 23 64.292 -2.633 11.741 1.00 0.00 H new ATOM 353 N ALA A 24 69.116 -3.703 12.690 1.00 0.00 N ATOM 354 CA ALA A 24 70.497 -4.124 12.487 1.00 0.00 C ATOM 355 C ALA A 24 71.320 -3.762 13.720 1.00 0.00 C ATOM 356 O ALA A 24 72.549 -3.676 13.671 1.00 0.00 O ATOM 357 CB ALA A 24 71.072 -3.475 11.236 1.00 0.00 C ATOM 0 H ALA A 24 68.935 -2.730 12.443 1.00 0.00 H new ATOM 0 HA ALA A 24 70.531 -5.204 12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 24 72.103 -3.800 11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 24 70.481 -3.769 10.369 1.00 0.00 H new ATOM 0 HB3 ALA A 24 71.044 -2.391 11.343 1.00 0.00 H new ATOM 363 N ARG A 25 70.600 -3.554 14.822 1.00 0.00 N ATOM 364 CA ARG A 25 71.175 -3.207 16.118 1.00 0.00 C ATOM 365 C ARG A 25 72.364 -4.104 16.462 1.00 0.00 C ATOM 366 O ARG A 25 73.455 -3.616 16.758 1.00 0.00 O ATOM 367 CB ARG A 25 70.078 -3.332 17.176 1.00 0.00 C ATOM 368 CG ARG A 25 70.529 -3.092 18.606 1.00 0.00 C ATOM 369 CD ARG A 25 69.381 -3.319 19.582 1.00 0.00 C ATOM 370 NE ARG A 25 68.350 -2.279 19.489 1.00 0.00 N ATOM 371 CZ ARG A 25 67.181 -2.418 18.850 1.00 0.00 C ATOM 372 NH1 ARG A 25 66.903 -3.528 18.176 1.00 0.00 N ATOM 373 NH2 ARG A 25 66.292 -1.434 18.880 1.00 0.00 N ATOM 0 H ARG A 25 69.582 -3.624 14.838 1.00 0.00 H new ATOM 0 HA ARG A 25 71.551 -2.185 16.085 1.00 0.00 H new ATOM 0 HB2 ARG A 25 69.284 -2.624 16.939 1.00 0.00 H new ATOM 0 HB3 ARG A 25 69.645 -4.330 17.111 1.00 0.00 H new ATOM 0 HG2 ARG A 25 71.355 -3.760 18.848 1.00 0.00 H new ATOM 0 HG3 ARG A 25 70.903 -2.073 18.708 1.00 0.00 H new ATOM 0 HD2 ARG A 25 68.930 -4.292 19.387 1.00 0.00 H new ATOM 0 HD3 ARG A 25 69.773 -3.347 20.599 1.00 0.00 H new ATOM 0 HE ARG A 25 68.537 -1.385 19.944 1.00 0.00 H new ATOM 0 HH11 ARG A 25 67.583 -4.287 18.141 1.00 0.00 H new ATOM 0 HH12 ARG A 25 66.009 -3.621 17.694 1.00 0.00 H new ATOM 0 HH21 ARG A 25 66.499 -0.575 19.389 1.00 0.00 H new ATOM 0 HH22 ARG A 25 65.401 -1.537 18.394 1.00 0.00 H new ATOM 387 N TYR A 26 72.152 -5.411 16.411 1.00 0.00 N ATOM 388 CA TYR A 26 73.222 -6.360 16.658 1.00 0.00 C ATOM 389 C TYR A 26 73.801 -6.837 15.336 1.00 0.00 C ATOM 390 O TYR A 26 73.383 -7.856 14.786 1.00 0.00 O ATOM 391 CB TYR A 26 72.728 -7.543 17.493 1.00 0.00 C ATOM 392 CG TYR A 26 72.342 -7.160 18.903 1.00 0.00 C ATOM 393 CD1 TYR A 26 73.315 -6.935 19.867 1.00 0.00 C ATOM 394 CD2 TYR A 26 71.009 -7.018 19.267 1.00 0.00 C ATOM 395 CE1 TYR A 26 72.972 -6.579 21.155 1.00 0.00 C ATOM 396 CE2 TYR A 26 70.658 -6.661 20.554 1.00 0.00 C ATOM 397 CZ TYR A 26 71.643 -6.445 21.495 1.00 0.00 C ATOM 398 OH TYR A 26 71.299 -6.089 22.779 1.00 0.00 O ATOM 0 H TYR A 26 71.249 -5.836 16.201 1.00 0.00 H new ATOM 0 HA TYR A 26 74.005 -5.860 17.228 1.00 0.00 H new ATOM 0 HB2 TYR A 26 71.868 -7.994 16.998 1.00 0.00 H new ATOM 0 HB3 TYR A 26 73.509 -8.303 17.531 1.00 0.00 H new ATOM 0 HD1 TYR A 26 74.357 -7.040 19.605 1.00 0.00 H new ATOM 0 HD2 TYR A 26 70.236 -7.189 18.533 1.00 0.00 H new ATOM 0 HE1 TYR A 26 73.741 -6.406 21.893 1.00 0.00 H new ATOM 0 HE2 TYR A 26 69.618 -6.552 20.822 1.00 0.00 H new ATOM 0 HH TYR A 26 70.323 -6.036 22.854 1.00 0.00 H new ATOM 408 N GLY A 27 74.741 -6.063 14.822 1.00 0.00 N ATOM 409 CA GLY A 27 75.360 -6.369 13.550 1.00 0.00 C ATOM 410 C GLY A 27 76.018 -5.141 12.967 1.00 0.00 C ATOM 411 O GLY A 27 77.090 -5.219 12.367 1.00 0.00 O ATOM 0 H GLY A 27 75.091 -5.216 15.270 1.00 0.00 H new ATOM 0 HA2 GLY A 27 76.101 -7.157 13.681 1.00 0.00 H new ATOM 0 HA3 GLY A 27 74.610 -6.749 12.857 1.00 0.00 H new ATOM 415 N CYS A 28 75.370 -4.000 13.153 1.00 0.00 N ATOM 416 CA CYS A 28 75.925 -2.719 12.750 1.00 0.00 C ATOM 417 C CYS A 28 75.682 -1.694 13.854 1.00 0.00 C ATOM 418 O CYS A 28 74.768 -0.871 13.766 1.00 0.00 O ATOM 419 CB CYS A 28 75.308 -2.253 11.429 1.00 0.00 C ATOM 420 SG CYS A 28 75.593 -3.386 10.048 1.00 0.00 S ATOM 0 H CYS A 28 74.449 -3.938 13.586 1.00 0.00 H new ATOM 0 HA CYS A 28 76.998 -2.827 12.593 1.00 0.00 H new ATOM 0 HB2 CYS A 28 74.234 -2.125 11.566 1.00 0.00 H new ATOM 0 HB3 CYS A 28 75.716 -1.275 11.174 1.00 0.00 H new ATOM 0 HG CYS A 28 74.829 -3.054 9.050 1.00 0.00 H new ATOM 426 N PRO A 29 76.493 -1.753 14.922 1.00 0.00 N ATOM 427 CA PRO A 29 76.297 -0.924 16.112 1.00 0.00 C ATOM 428 C PRO A 29 76.416 0.563 15.811 1.00 0.00 C ATOM 429 O PRO A 29 77.447 1.032 15.322 1.00 0.00 O ATOM 430 CB PRO A 29 77.409 -1.381 17.064 1.00 0.00 C ATOM 431 CG PRO A 29 78.435 -2.009 16.187 1.00 0.00 C ATOM 432 CD PRO A 29 77.679 -2.620 15.045 1.00 0.00 C ATOM 0 HA PRO A 29 75.297 -1.044 16.528 1.00 0.00 H new ATOM 0 HB2 PRO A 29 77.825 -0.539 17.617 1.00 0.00 H new ATOM 0 HB3 PRO A 29 77.031 -2.091 17.800 1.00 0.00 H new ATOM 0 HG2 PRO A 29 79.151 -1.268 15.830 1.00 0.00 H new ATOM 0 HG3 PRO A 29 79.003 -2.765 16.729 1.00 0.00 H new ATOM 0 HD2 PRO A 29 78.270 -2.626 14.129 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.402 -3.654 15.253 1.00 0.00 H new ATOM 440 N HIS A 30 75.334 1.287 16.081 1.00 0.00 N ATOM 441 CA HIS A 30 75.284 2.736 15.899 1.00 0.00 C ATOM 442 C HIS A 30 75.469 3.110 14.426 1.00 0.00 C ATOM 443 O HIS A 30 75.969 4.183 14.091 1.00 0.00 O ATOM 444 CB HIS A 30 76.341 3.412 16.783 1.00 0.00 C ATOM 445 CG HIS A 30 76.134 4.884 16.957 1.00 0.00 C ATOM 446 ND1 HIS A 30 77.038 5.826 16.523 1.00 0.00 N ATOM 447 CD2 HIS A 30 75.121 5.574 17.534 1.00 0.00 C ATOM 448 CE1 HIS A 30 76.593 7.030 16.825 1.00 0.00 C ATOM 449 NE2 HIS A 30 75.431 6.905 17.437 1.00 0.00 N ATOM 0 H HIS A 30 74.465 0.886 16.433 1.00 0.00 H new ATOM 0 HA HIS A 30 74.301 3.094 16.204 1.00 0.00 H new ATOM 0 HB2 HIS A 30 76.339 2.936 17.764 1.00 0.00 H new ATOM 0 HB3 HIS A 30 77.326 3.242 16.349 1.00 0.00 H new ATOM 0 HD2 HIS A 30 74.235 5.154 17.986 1.00 0.00 H new ATOM 0 HE1 HIS A 30 77.095 7.961 16.608 1.00 0.00 H new ATOM 0 HE2 HIS A 30 74.857 7.674 17.782 1.00 0.00 H new ATOM 458 N HIS A 31 75.042 2.217 13.550 1.00 0.00 N ATOM 459 CA HIS A 31 75.069 2.474 12.111 1.00 0.00 C ATOM 460 C HIS A 31 73.642 2.386 11.575 1.00 0.00 C ATOM 461 O HIS A 31 73.405 2.314 10.369 1.00 0.00 O ATOM 462 CB HIS A 31 75.979 1.459 11.396 1.00 0.00 C ATOM 463 CG HIS A 31 76.481 1.910 10.050 1.00 0.00 C ATOM 464 ND1 HIS A 31 75.663 2.097 8.958 1.00 0.00 N ATOM 465 CD2 HIS A 31 77.736 2.199 9.626 1.00 0.00 C ATOM 466 CE1 HIS A 31 76.389 2.477 7.924 1.00 0.00 C ATOM 467 NE2 HIS A 31 77.653 2.548 8.300 1.00 0.00 N ATOM 0 H HIS A 31 74.670 1.302 13.806 1.00 0.00 H new ATOM 0 HA HIS A 31 75.472 3.469 11.923 1.00 0.00 H new ATOM 0 HB2 HIS A 31 76.835 1.244 12.036 1.00 0.00 H new ATOM 0 HB3 HIS A 31 75.432 0.525 11.271 1.00 0.00 H new ATOM 0 HD2 HIS A 31 78.636 2.162 10.222 1.00 0.00 H new ATOM 0 HE1 HIS A 31 76.013 2.694 6.935 1.00 0.00 H new ATOM 0 HE2 HIS A 31 78.437 2.817 7.705 1.00 0.00 H new ATOM 476 N VAL A 32 72.693 2.406 12.494 1.00 0.00 N ATOM 477 CA VAL A 32 71.291 2.246 12.156 1.00 0.00 C ATOM 478 C VAL A 32 70.510 3.513 12.478 1.00 0.00 C ATOM 479 O VAL A 32 70.876 4.265 13.381 1.00 0.00 O ATOM 480 CB VAL A 32 70.671 1.049 12.907 1.00 0.00 C ATOM 481 CG1 VAL A 32 71.288 -0.252 12.430 1.00 0.00 C ATOM 482 CG2 VAL A 32 70.859 1.191 14.410 1.00 0.00 C ATOM 0 H VAL A 32 72.872 2.533 13.490 1.00 0.00 H new ATOM 0 HA VAL A 32 71.232 2.054 11.085 1.00 0.00 H new ATOM 0 HB VAL A 32 69.602 1.036 12.693 1.00 0.00 H new ATOM 0 HG11 VAL A 32 70.840 -1.086 12.969 1.00 0.00 H new ATOM 0 HG12 VAL A 32 71.106 -0.371 11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 32 72.362 -0.235 12.615 1.00 0.00 H new ATOM 0 HG21 VAL A 32 70.413 0.334 14.915 1.00 0.00 H new ATOM 0 HG22 VAL A 32 71.923 1.235 14.641 1.00 0.00 H new ATOM 0 HG23 VAL A 32 70.376 2.106 14.752 1.00 0.00 H new ATOM 492 N GLY A 33 69.442 3.744 11.729 1.00 0.00 N ATOM 493 CA GLY A 33 68.637 4.929 11.928 1.00 0.00 C ATOM 494 C GLY A 33 68.953 6.018 10.923 1.00 0.00 C ATOM 495 O GLY A 33 68.535 7.160 11.094 1.00 0.00 O ATOM 0 H GLY A 33 69.118 3.128 10.983 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.582 4.665 11.854 1.00 0.00 H new ATOM 0 HA3 GLY A 33 68.800 5.310 12.936 1.00 0.00 H new ATOM 499 N ARG A 34 69.690 5.665 9.875 1.00 0.00 N ATOM 500 CA ARG A 34 70.054 6.621 8.832 1.00 0.00 C ATOM 501 C ARG A 34 69.568 6.126 7.478 1.00 0.00 C ATOM 502 O ARG A 34 68.838 5.142 7.406 1.00 0.00 O ATOM 503 CB ARG A 34 71.569 6.837 8.792 1.00 0.00 C ATOM 504 CG ARG A 34 72.152 7.267 10.123 1.00 0.00 C ATOM 505 CD ARG A 34 73.570 7.784 9.974 1.00 0.00 C ATOM 506 NE ARG A 34 74.483 6.781 9.439 1.00 0.00 N ATOM 507 CZ ARG A 34 75.694 6.539 9.931 1.00 0.00 C ATOM 508 NH1 ARG A 34 76.128 7.177 11.014 1.00 0.00 N ATOM 509 NH2 ARG A 34 76.470 5.651 9.331 1.00 0.00 N ATOM 0 H ARG A 34 70.048 4.722 9.724 1.00 0.00 H new ATOM 0 HA ARG A 34 69.576 7.573 9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 34 72.052 5.913 8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 34 71.801 7.592 8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 34 71.525 8.044 10.561 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.143 6.424 10.814 1.00 0.00 H new ATOM 0 HD2 ARG A 34 73.568 8.654 9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 34 73.934 8.119 10.945 1.00 0.00 H new ATOM 0 HE ARG A 34 74.173 6.231 8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 34 75.530 7.861 11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 34 77.059 6.982 11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 34 76.137 5.161 8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 34 77.401 5.456 9.699 1.00 0.00 H new ATOM 523 N LYS A 35 69.971 6.803 6.412 1.00 0.00 N ATOM 524 CA LYS A 35 69.563 6.413 5.069 1.00 0.00 C ATOM 525 C LYS A 35 70.777 6.085 4.207 1.00 0.00 C ATOM 526 O LYS A 35 71.897 6.509 4.503 1.00 0.00 O ATOM 527 CB LYS A 35 68.742 7.526 4.419 1.00 0.00 C ATOM 528 CG LYS A 35 67.469 7.868 5.178 1.00 0.00 C ATOM 529 CD LYS A 35 66.734 9.055 4.565 1.00 0.00 C ATOM 530 CE LYS A 35 67.394 10.390 4.899 1.00 0.00 C ATOM 531 NZ LYS A 35 68.748 10.537 4.301 1.00 0.00 N ATOM 0 H LYS A 35 70.578 7.622 6.450 1.00 0.00 H new ATOM 0 HA LYS A 35 68.945 5.518 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 35 69.359 8.421 4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 35 68.480 7.227 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 35 66.810 7.000 5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 35 67.716 8.092 6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 35 66.695 8.934 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 35 65.704 9.064 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 35 66.757 11.202 4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 35 67.469 10.491 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 68.902 11.529 4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 69.467 10.253 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 68.823 9.932 3.458 1.00 0.00 H new ATOM 545 N GLY A 36 70.548 5.328 3.142 1.00 0.00 N ATOM 546 CA GLY A 36 71.624 4.936 2.258 1.00 0.00 C ATOM 547 C GLY A 36 71.131 4.644 0.852 1.00 0.00 C ATOM 548 O GLY A 36 69.938 4.777 0.564 1.00 0.00 O ATOM 0 H GLY A 36 69.628 4.977 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 36 72.370 5.729 2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.118 4.051 2.659 1.00 0.00 H new ATOM 552 N LYS A 37 72.045 4.256 -0.023 1.00 0.00 N ATOM 553 CA LYS A 37 71.707 3.961 -1.413 1.00 0.00 C ATOM 554 C LYS A 37 72.271 2.597 -1.813 1.00 0.00 C ATOM 555 O LYS A 37 73.470 2.349 -1.658 1.00 0.00 O ATOM 556 CB LYS A 37 72.288 5.051 -2.322 1.00 0.00 C ATOM 557 CG LYS A 37 71.680 5.108 -3.714 1.00 0.00 C ATOM 558 CD LYS A 37 70.255 5.633 -3.675 1.00 0.00 C ATOM 559 CE LYS A 37 70.009 6.662 -4.772 1.00 0.00 C ATOM 560 NZ LYS A 37 70.141 6.083 -6.134 1.00 0.00 N ATOM 0 H LYS A 37 73.032 4.137 0.203 1.00 0.00 H new ATOM 0 HA LYS A 37 70.623 3.938 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 37 72.150 6.019 -1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 37 73.362 4.892 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 37 72.288 5.749 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 37 71.691 4.113 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 37 69.557 4.804 -3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 37 70.058 6.083 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 37 69.010 7.082 -4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 37 70.716 7.484 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 69.998 6.829 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 71.091 5.675 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 69.427 5.339 -6.266 1.00 0.00 H new ATOM 574 N ILE A 38 71.407 1.717 -2.311 1.00 0.00 N ATOM 575 CA ILE A 38 71.841 0.403 -2.777 1.00 0.00 C ATOM 576 C ILE A 38 72.571 0.544 -4.105 1.00 0.00 C ATOM 577 O ILE A 38 71.967 0.899 -5.116 1.00 0.00 O ATOM 578 CB ILE A 38 70.650 -0.566 -2.948 1.00 0.00 C ATOM 579 CG1 ILE A 38 69.897 -0.720 -1.625 1.00 0.00 C ATOM 580 CG2 ILE A 38 71.132 -1.922 -3.449 1.00 0.00 C ATOM 581 CD1 ILE A 38 68.677 -1.611 -1.720 1.00 0.00 C ATOM 0 H ILE A 38 70.406 1.889 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 38 72.509 -0.012 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 38 69.968 -0.150 -3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 38 70.576 -1.127 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 38 69.590 0.266 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 38 70.280 -2.592 -3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 38 71.629 -1.799 -4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 38 71.833 -2.347 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 38 68.195 -1.673 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 38 67.978 -1.194 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 38 68.979 -2.608 -2.039 1.00 0.00 H new ATOM 593 N ILE A 39 73.867 0.273 -4.101 1.00 0.00 N ATOM 594 CA ILE A 39 74.687 0.506 -5.284 1.00 0.00 C ATOM 595 C ILE A 39 75.151 -0.797 -5.931 1.00 0.00 C ATOM 596 O ILE A 39 75.448 -0.829 -7.124 1.00 0.00 O ATOM 597 CB ILE A 39 75.915 1.381 -4.954 1.00 0.00 C ATOM 598 CG1 ILE A 39 76.734 0.759 -3.817 1.00 0.00 C ATOM 599 CG2 ILE A 39 75.471 2.792 -4.588 1.00 0.00 C ATOM 600 CD1 ILE A 39 77.993 1.527 -3.480 1.00 0.00 C ATOM 0 H ILE A 39 74.372 -0.105 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 39 74.052 1.034 -5.995 1.00 0.00 H new ATOM 0 HB ILE A 39 76.551 1.435 -5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 39 76.110 0.694 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 39 77.004 -0.261 -4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 39 76.346 3.400 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 39 74.933 3.233 -5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 39 74.816 2.753 -3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 39 78.518 1.026 -2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 39 78.639 1.570 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 39 77.730 2.539 -3.173 1.00 0.00 H new ATOM 612 N GLU A 40 75.205 -1.865 -5.147 1.00 0.00 N ATOM 613 CA GLU A 40 75.643 -3.165 -5.649 1.00 0.00 C ATOM 614 C GLU A 40 74.753 -4.280 -5.119 1.00 0.00 C ATOM 615 O GLU A 40 74.061 -4.112 -4.110 1.00 0.00 O ATOM 616 CB GLU A 40 77.098 -3.445 -5.247 1.00 0.00 C ATOM 617 CG GLU A 40 78.133 -2.652 -6.030 1.00 0.00 C ATOM 618 CD GLU A 40 78.247 -3.105 -7.471 1.00 0.00 C ATOM 619 OE1 GLU A 40 78.680 -4.252 -7.706 1.00 0.00 O ATOM 620 OE2 GLU A 40 77.922 -2.316 -8.375 1.00 0.00 O ATOM 0 H GLU A 40 74.951 -1.859 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 40 75.571 -3.136 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.217 -3.225 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 40 77.299 -4.508 -5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 40 77.870 -1.595 -6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 40 79.104 -2.750 -5.544 1.00 0.00 H new ATOM 627 N HIS A 41 74.773 -5.411 -5.807 1.00 0.00 N ATOM 628 CA HIS A 41 74.059 -6.601 -5.371 1.00 0.00 C ATOM 629 C HIS A 41 75.050 -7.657 -4.909 1.00 0.00 C ATOM 630 O HIS A 41 76.068 -7.892 -5.564 1.00 0.00 O ATOM 631 CB HIS A 41 73.190 -7.168 -6.499 1.00 0.00 C ATOM 632 CG HIS A 41 71.863 -6.492 -6.650 1.00 0.00 C ATOM 633 ND1 HIS A 41 71.176 -6.440 -7.841 1.00 0.00 N ATOM 634 CD2 HIS A 41 71.077 -5.872 -5.740 1.00 0.00 C ATOM 635 CE1 HIS A 41 70.027 -5.819 -7.658 1.00 0.00 C ATOM 636 NE2 HIS A 41 69.938 -5.464 -6.390 1.00 0.00 N ATOM 0 H HIS A 41 75.284 -5.530 -6.682 1.00 0.00 H new ATOM 0 HA HIS A 41 73.407 -6.322 -4.543 1.00 0.00 H new ATOM 0 HB2 HIS A 41 73.736 -7.086 -7.439 1.00 0.00 H new ATOM 0 HB3 HIS A 41 73.026 -8.230 -6.317 1.00 0.00 H new ATOM 0 HD2 HIS A 41 71.304 -5.725 -4.694 1.00 0.00 H new ATOM 0 HE1 HIS A 41 69.283 -5.632 -8.419 1.00 0.00 H new ATOM 0 HE2 HIS A 41 69.154 -4.969 -5.964 1.00 0.00 H new ATOM 645 N LEU A 42 74.758 -8.273 -3.780 1.00 0.00 N ATOM 646 CA LEU A 42 75.605 -9.319 -3.232 1.00 0.00 C ATOM 647 C LEU A 42 74.830 -10.619 -3.147 1.00 0.00 C ATOM 648 O LEU A 42 73.608 -10.609 -3.008 1.00 0.00 O ATOM 649 CB LEU A 42 76.094 -8.936 -1.829 1.00 0.00 C ATOM 650 CG LEU A 42 77.016 -7.719 -1.753 1.00 0.00 C ATOM 651 CD1 LEU A 42 77.268 -7.342 -0.300 1.00 0.00 C ATOM 652 CD2 LEU A 42 78.328 -8.008 -2.461 1.00 0.00 C ATOM 0 H LEU A 42 73.932 -8.066 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 42 76.465 -9.443 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 42 75.223 -8.748 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.617 -9.791 -1.401 1.00 0.00 H new ATOM 0 HG LEU A 42 76.531 -6.879 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.926 -6.474 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 42 76.321 -7.103 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.738 -8.179 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 42 78.975 -7.133 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.819 -8.857 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 42 78.133 -8.242 -3.508 1.00 0.00 H new ATOM 664 N HIS A 43 75.532 -11.735 -3.246 1.00 0.00 N ATOM 665 CA HIS A 43 74.921 -13.020 -2.968 1.00 0.00 C ATOM 666 C HIS A 43 75.545 -13.593 -1.700 1.00 0.00 C ATOM 667 O HIS A 43 76.678 -14.075 -1.696 1.00 0.00 O ATOM 668 CB HIS A 43 75.011 -13.996 -4.163 1.00 0.00 C ATOM 669 CG HIS A 43 76.387 -14.481 -4.513 1.00 0.00 C ATOM 670 ND1 HIS A 43 76.892 -15.682 -4.061 1.00 0.00 N ATOM 671 CD2 HIS A 43 77.352 -13.941 -5.293 1.00 0.00 C ATOM 672 CE1 HIS A 43 78.105 -15.858 -4.543 1.00 0.00 C ATOM 673 NE2 HIS A 43 78.409 -14.818 -5.293 1.00 0.00 N ATOM 0 H HIS A 43 76.515 -11.776 -3.514 1.00 0.00 H new ATOM 0 HA HIS A 43 73.853 -12.875 -2.808 1.00 0.00 H new ATOM 0 HB2 HIS A 43 74.386 -14.862 -3.947 1.00 0.00 H new ATOM 0 HB3 HIS A 43 74.586 -13.507 -5.039 1.00 0.00 H new ATOM 0 HD2 HIS A 43 77.301 -12.998 -5.817 1.00 0.00 H new ATOM 0 HE1 HIS A 43 78.742 -16.710 -4.355 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.288 -14.686 -5.793 1.00 0.00 H new ATOM 682 N SER A 44 74.807 -13.469 -0.616 1.00 0.00 N ATOM 683 CA SER A 44 75.273 -13.865 0.697 1.00 0.00 C ATOM 684 C SER A 44 74.077 -13.945 1.638 1.00 0.00 C ATOM 685 O SER A 44 73.218 -13.068 1.636 1.00 0.00 O ATOM 686 CB SER A 44 76.308 -12.851 1.213 1.00 0.00 C ATOM 687 OG SER A 44 76.879 -13.257 2.450 1.00 0.00 O ATOM 0 H SER A 44 73.861 -13.088 -0.621 1.00 0.00 H new ATOM 0 HA SER A 44 75.754 -14.842 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.098 -12.729 0.472 1.00 0.00 H new ATOM 0 HB3 SER A 44 75.833 -11.878 1.335 1.00 0.00 H new ATOM 0 HG SER A 44 76.486 -12.734 3.179 1.00 0.00 H new ATOM 693 N ALA A 45 74.040 -14.980 2.457 1.00 0.00 N ATOM 694 CA ALA A 45 72.893 -15.228 3.322 1.00 0.00 C ATOM 695 C ALA A 45 72.886 -14.241 4.477 1.00 0.00 C ATOM 696 O ALA A 45 71.907 -14.115 5.213 1.00 0.00 O ATOM 697 CB ALA A 45 72.917 -16.660 3.836 1.00 0.00 C ATOM 0 H ALA A 45 74.790 -15.665 2.544 1.00 0.00 H new ATOM 0 HA ALA A 45 71.979 -15.089 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 45 72.054 -16.830 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.881 -17.350 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.832 -16.828 4.404 1.00 0.00 H new ATOM 703 N THR A 46 74.001 -13.554 4.635 1.00 0.00 N ATOM 704 CA THR A 46 74.136 -12.536 5.647 1.00 0.00 C ATOM 705 C THR A 46 73.758 -11.164 5.097 1.00 0.00 C ATOM 706 O THR A 46 73.140 -10.359 5.796 1.00 0.00 O ATOM 707 CB THR A 46 75.579 -12.502 6.176 1.00 0.00 C ATOM 708 OG1 THR A 46 76.494 -12.506 5.069 1.00 0.00 O ATOM 709 CG2 THR A 46 75.856 -13.697 7.075 1.00 0.00 C ATOM 0 H THR A 46 74.835 -13.689 4.064 1.00 0.00 H new ATOM 0 HA THR A 46 73.457 -12.781 6.464 1.00 0.00 H new ATOM 0 HB THR A 46 75.713 -11.593 6.763 1.00 0.00 H new ATOM 0 HG1 THR A 46 76.782 -11.589 4.879 1.00 0.00 H new ATOM 0 HG21 THR A 46 76.883 -13.650 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 46 75.172 -13.680 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 46 75.712 -14.618 6.510 1.00 0.00 H new ATOM 717 N TYR A 47 74.108 -10.915 3.832 1.00 0.00 N ATOM 718 CA TYR A 47 73.928 -9.595 3.223 1.00 0.00 C ATOM 719 C TYR A 47 73.589 -9.730 1.743 1.00 0.00 C ATOM 720 O TYR A 47 74.293 -10.415 1.002 1.00 0.00 O ATOM 721 CB TYR A 47 75.200 -8.748 3.369 1.00 0.00 C ATOM 722 CG TYR A 47 75.682 -8.592 4.795 1.00 0.00 C ATOM 723 CD1 TYR A 47 74.979 -7.813 5.705 1.00 0.00 C ATOM 724 CD2 TYR A 47 76.833 -9.234 5.234 1.00 0.00 C ATOM 725 CE1 TYR A 47 75.410 -7.676 7.010 1.00 0.00 C ATOM 726 CE2 TYR A 47 77.269 -9.104 6.538 1.00 0.00 C ATOM 727 CZ TYR A 47 76.554 -8.324 7.421 1.00 0.00 C ATOM 728 OH TYR A 47 76.986 -8.193 8.719 1.00 0.00 O ATOM 0 H TYR A 47 74.518 -11.611 3.209 1.00 0.00 H new ATOM 0 HA TYR A 47 73.106 -9.101 3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 47 75.995 -9.201 2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 47 75.014 -7.759 2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 47 74.080 -7.306 5.387 1.00 0.00 H new ATOM 0 HD2 TYR A 47 77.396 -9.845 4.544 1.00 0.00 H new ATOM 0 HE1 TYR A 47 74.853 -7.064 7.704 1.00 0.00 H new ATOM 0 HE2 TYR A 47 78.165 -9.611 6.864 1.00 0.00 H new ATOM 0 HH TYR A 47 77.806 -8.714 8.845 1.00 0.00 H new ATOM 738 N ASP A 48 72.528 -9.057 1.315 1.00 0.00 N ATOM 739 CA ASP A 48 72.063 -9.163 -0.066 1.00 0.00 C ATOM 740 C ASP A 48 72.483 -7.947 -0.880 1.00 0.00 C ATOM 741 O ASP A 48 72.585 -8.015 -2.108 1.00 0.00 O ATOM 742 CB ASP A 48 70.536 -9.280 -0.131 1.00 0.00 C ATOM 743 CG ASP A 48 69.970 -10.333 0.796 1.00 0.00 C ATOM 744 OD1 ASP A 48 70.188 -11.538 0.552 1.00 0.00 O ATOM 745 OD2 ASP A 48 69.279 -9.955 1.760 1.00 0.00 O ATOM 0 H ASP A 48 71.973 -8.433 1.901 1.00 0.00 H new ATOM 0 HA ASP A 48 72.518 -10.062 -0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.095 -8.315 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.241 -9.512 -1.154 1.00 0.00 H new ATOM 750 N TYR A 49 72.713 -6.824 -0.208 1.00 0.00 N ATOM 751 CA TYR A 49 72.974 -5.572 -0.909 1.00 0.00 C ATOM 752 C TYR A 49 74.164 -4.832 -0.311 1.00 0.00 C ATOM 753 O TYR A 49 74.536 -5.050 0.843 1.00 0.00 O ATOM 754 CB TYR A 49 71.747 -4.654 -0.851 1.00 0.00 C ATOM 755 CG TYR A 49 70.439 -5.328 -1.199 1.00 0.00 C ATOM 756 CD1 TYR A 49 70.208 -5.835 -2.470 1.00 0.00 C ATOM 757 CD2 TYR A 49 69.433 -5.449 -0.250 1.00 0.00 C ATOM 758 CE1 TYR A 49 69.010 -6.445 -2.787 1.00 0.00 C ATOM 759 CE2 TYR A 49 68.235 -6.058 -0.560 1.00 0.00 C ATOM 760 CZ TYR A 49 68.029 -6.556 -1.828 1.00 0.00 C ATOM 761 OH TYR A 49 66.828 -7.151 -2.142 1.00 0.00 O ATOM 0 H TYR A 49 72.724 -6.754 0.810 1.00 0.00 H new ATOM 0 HA TYR A 49 73.199 -5.829 -1.944 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.669 -4.236 0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 49 71.903 -3.818 -1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 49 70.977 -5.751 -3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 49 69.591 -5.061 0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.844 -6.833 -3.781 1.00 0.00 H new ATOM 0 HE2 TYR A 49 67.461 -6.144 0.188 1.00 0.00 H new ATOM 0 HH TYR A 49 66.109 -6.727 -1.629 1.00 0.00 H new ATOM 771 N ALA A 50 74.748 -3.951 -1.107 1.00 0.00 N ATOM 772 CA ALA A 50 75.778 -3.048 -0.628 1.00 0.00 C ATOM 773 C ALA A 50 75.222 -1.635 -0.614 1.00 0.00 C ATOM 774 O ALA A 50 74.909 -1.069 -1.668 1.00 0.00 O ATOM 775 CB ALA A 50 77.021 -3.127 -1.499 1.00 0.00 C ATOM 0 H ALA A 50 74.523 -3.843 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 50 76.069 -3.337 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 50 77.777 -2.440 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.413 -4.144 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.766 -2.854 -2.523 1.00 0.00 H new ATOM 781 N VAL A 51 75.084 -1.077 0.574 1.00 0.00 N ATOM 782 CA VAL A 51 74.426 0.204 0.742 1.00 0.00 C ATOM 783 C VAL A 51 75.423 1.284 1.123 1.00 0.00 C ATOM 784 O VAL A 51 76.175 1.144 2.087 1.00 0.00 O ATOM 785 CB VAL A 51 73.319 0.119 1.814 1.00 0.00 C ATOM 786 CG1 VAL A 51 72.632 1.462 2.003 1.00 0.00 C ATOM 787 CG2 VAL A 51 72.305 -0.946 1.441 1.00 0.00 C ATOM 0 H VAL A 51 75.421 -1.494 1.442 1.00 0.00 H new ATOM 0 HA VAL A 51 73.973 0.466 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 51 73.786 -0.155 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 51 71.857 1.370 2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.365 2.204 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 51 72.181 1.775 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.530 -0.995 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 51 71.852 -0.697 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.803 -1.913 1.367 1.00 0.00 H new ATOM 797 N SER A 52 75.433 2.353 0.352 1.00 0.00 N ATOM 798 CA SER A 52 76.270 3.493 0.653 1.00 0.00 C ATOM 799 C SER A 52 75.529 4.435 1.594 1.00 0.00 C ATOM 800 O SER A 52 74.531 5.049 1.214 1.00 0.00 O ATOM 801 CB SER A 52 76.673 4.205 -0.641 1.00 0.00 C ATOM 802 OG SER A 52 75.551 4.408 -1.486 1.00 0.00 O ATOM 0 H SER A 52 74.868 2.454 -0.491 1.00 0.00 H new ATOM 0 HA SER A 52 77.181 3.158 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 52 77.131 5.165 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 52 77.424 3.614 -1.165 1.00 0.00 H new ATOM 0 HG SER A 52 74.783 4.692 -0.948 1.00 0.00 H new ATOM 808 N ASP A 53 75.992 4.499 2.835 1.00 0.00 N ATOM 809 CA ASP A 53 75.379 5.352 3.847 1.00 0.00 C ATOM 810 C ASP A 53 75.530 6.817 3.453 1.00 0.00 C ATOM 811 O ASP A 53 76.499 7.187 2.783 1.00 0.00 O ATOM 812 CB ASP A 53 76.039 5.093 5.209 1.00 0.00 C ATOM 813 CG ASP A 53 75.367 5.815 6.363 1.00 0.00 C ATOM 814 OD1 ASP A 53 75.515 7.049 6.467 1.00 0.00 O ATOM 815 OD2 ASP A 53 74.723 5.141 7.195 1.00 0.00 O ATOM 0 H ASP A 53 76.796 3.967 3.168 1.00 0.00 H new ATOM 0 HA ASP A 53 74.317 5.120 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 53 76.030 4.021 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 53 77.084 5.399 5.160 1.00 0.00 H new ATOM 820 N GLU A 54 74.580 7.645 3.869 1.00 0.00 N ATOM 821 CA GLU A 54 74.584 9.063 3.524 1.00 0.00 C ATOM 822 C GLU A 54 75.836 9.781 4.045 1.00 0.00 C ATOM 823 O GLU A 54 76.216 10.835 3.528 1.00 0.00 O ATOM 824 CB GLU A 54 73.316 9.741 4.050 1.00 0.00 C ATOM 825 CG GLU A 54 73.049 9.497 5.529 1.00 0.00 C ATOM 826 CD GLU A 54 71.791 10.189 6.015 1.00 0.00 C ATOM 827 OE1 GLU A 54 70.693 9.614 5.871 1.00 0.00 O ATOM 828 OE2 GLU A 54 71.895 11.316 6.547 1.00 0.00 O ATOM 0 H GLU A 54 73.792 7.358 4.449 1.00 0.00 H new ATOM 0 HA GLU A 54 74.602 9.135 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.393 10.815 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.461 9.386 3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 54 72.962 8.425 5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 54 73.901 9.848 6.111 1.00 0.00 H new ATOM 835 N THR A 55 76.482 9.204 5.054 1.00 0.00 N ATOM 836 CA THR A 55 77.716 9.764 5.595 1.00 0.00 C ATOM 837 C THR A 55 78.913 9.452 4.692 1.00 0.00 C ATOM 838 O THR A 55 80.006 9.986 4.888 1.00 0.00 O ATOM 839 CB THR A 55 77.996 9.238 7.018 1.00 0.00 C ATOM 840 OG1 THR A 55 77.911 7.807 7.046 1.00 0.00 O ATOM 841 CG2 THR A 55 77.011 9.830 8.020 1.00 0.00 C ATOM 0 H THR A 55 76.171 8.348 5.514 1.00 0.00 H new ATOM 0 HA THR A 55 77.579 10.845 5.639 1.00 0.00 H new ATOM 0 HB THR A 55 79.004 9.544 7.297 1.00 0.00 H new ATOM 0 HG1 THR A 55 76.972 7.536 7.114 1.00 0.00 H new ATOM 0 HG21 THR A 55 77.229 9.444 9.016 1.00 0.00 H new ATOM 0 HG22 THR A 55 77.104 10.916 8.023 1.00 0.00 H new ATOM 0 HG23 THR A 55 75.995 9.554 7.738 1.00 0.00 H new ATOM 849 N GLY A 56 78.699 8.596 3.700 1.00 0.00 N ATOM 850 CA GLY A 56 79.760 8.245 2.774 1.00 0.00 C ATOM 851 C GLY A 56 80.423 6.927 3.120 1.00 0.00 C ATOM 852 O GLY A 56 81.499 6.613 2.616 1.00 0.00 O ATOM 0 H GLY A 56 77.806 8.137 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 56 79.352 8.188 1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.511 9.035 2.771 1.00 0.00 H new ATOM 856 N ASP A 57 79.781 6.157 3.985 1.00 0.00 N ATOM 857 CA ASP A 57 80.323 4.871 4.412 1.00 0.00 C ATOM 858 C ASP A 57 79.580 3.723 3.736 1.00 0.00 C ATOM 859 O ASP A 57 78.378 3.565 3.915 1.00 0.00 O ATOM 860 CB ASP A 57 80.214 4.741 5.931 1.00 0.00 C ATOM 861 CG ASP A 57 80.722 3.410 6.444 1.00 0.00 C ATOM 862 OD1 ASP A 57 81.954 3.206 6.476 1.00 0.00 O ATOM 863 OD2 ASP A 57 79.893 2.561 6.830 1.00 0.00 O ATOM 0 H ASP A 57 78.884 6.398 4.407 1.00 0.00 H new ATOM 0 HA ASP A 57 81.372 4.822 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 57 80.779 5.546 6.401 1.00 0.00 H new ATOM 0 HB3 ASP A 57 79.173 4.866 6.228 1.00 0.00 H new ATOM 868 N ILE A 58 80.293 2.935 2.947 1.00 0.00 N ATOM 869 CA ILE A 58 79.673 1.808 2.259 1.00 0.00 C ATOM 870 C ILE A 58 79.613 0.596 3.180 1.00 0.00 C ATOM 871 O ILE A 58 80.643 0.096 3.637 1.00 0.00 O ATOM 872 CB ILE A 58 80.428 1.444 0.963 1.00 0.00 C ATOM 873 CG1 ILE A 58 80.478 2.656 0.025 1.00 0.00 C ATOM 874 CG2 ILE A 58 79.763 0.258 0.271 1.00 0.00 C ATOM 875 CD1 ILE A 58 81.228 2.400 -1.266 1.00 0.00 C ATOM 0 H ILE A 58 81.290 3.050 2.767 1.00 0.00 H new ATOM 0 HA ILE A 58 78.661 2.107 1.985 1.00 0.00 H new ATOM 0 HB ILE A 58 81.448 1.160 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 58 79.459 2.962 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 58 80.948 3.489 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 58 80.309 0.016 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 58 79.771 -0.604 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 58 78.733 0.514 0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 58 81.220 3.303 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 58 82.258 2.124 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 58 80.746 1.589 -1.812 1.00 0.00 H new ATOM 887 N THR A 59 78.403 0.142 3.468 1.00 0.00 N ATOM 888 CA THR A 59 78.197 -0.996 4.346 1.00 0.00 C ATOM 889 C THR A 59 77.380 -2.067 3.628 1.00 0.00 C ATOM 890 O THR A 59 76.729 -1.789 2.620 1.00 0.00 O ATOM 891 CB THR A 59 77.468 -0.567 5.634 1.00 0.00 C ATOM 892 OG1 THR A 59 77.983 0.688 6.082 1.00 0.00 O ATOM 893 CG2 THR A 59 77.640 -1.600 6.740 1.00 0.00 C ATOM 0 H THR A 59 77.543 0.550 3.102 1.00 0.00 H new ATOM 0 HA THR A 59 79.172 -1.402 4.615 1.00 0.00 H new ATOM 0 HB THR A 59 76.406 -0.479 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 59 78.961 0.645 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 59 77.114 -1.267 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 59 77.230 -2.555 6.413 1.00 0.00 H new ATOM 0 HG23 THR A 59 78.700 -1.718 6.966 1.00 0.00 H new ATOM 901 N TYR A 60 77.413 -3.285 4.134 1.00 0.00 N ATOM 902 CA TYR A 60 76.682 -4.378 3.518 1.00 0.00 C ATOM 903 C TYR A 60 75.447 -4.684 4.352 1.00 0.00 C ATOM 904 O TYR A 60 75.529 -4.741 5.577 1.00 0.00 O ATOM 905 CB TYR A 60 77.585 -5.611 3.405 1.00 0.00 C ATOM 906 CG TYR A 60 79.015 -5.258 3.063 1.00 0.00 C ATOM 907 CD1 TYR A 60 79.332 -4.641 1.859 1.00 0.00 C ATOM 908 CD2 TYR A 60 80.043 -5.517 3.958 1.00 0.00 C ATOM 909 CE1 TYR A 60 80.634 -4.289 1.560 1.00 0.00 C ATOM 910 CE2 TYR A 60 81.347 -5.175 3.664 1.00 0.00 C ATOM 911 CZ TYR A 60 81.638 -4.558 2.466 1.00 0.00 C ATOM 912 OH TYR A 60 82.935 -4.197 2.179 1.00 0.00 O ATOM 0 H TYR A 60 77.938 -3.543 4.970 1.00 0.00 H new ATOM 0 HA TYR A 60 76.368 -4.095 2.513 1.00 0.00 H new ATOM 0 HB2 TYR A 60 77.566 -6.158 4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 60 77.187 -6.279 2.641 1.00 0.00 H new ATOM 0 HD1 TYR A 60 78.548 -4.433 1.146 1.00 0.00 H new ATOM 0 HD2 TYR A 60 79.819 -5.994 4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 60 80.864 -3.806 0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 60 82.136 -5.390 4.369 1.00 0.00 H new ATOM 0 HH TYR A 60 83.519 -4.457 2.922 1.00 0.00 H new ATOM 922 N PHE A 61 74.308 -4.861 3.699 1.00 0.00 N ATOM 923 CA PHE A 61 73.051 -5.071 4.408 1.00 0.00 C ATOM 924 C PHE A 61 72.218 -6.160 3.747 1.00 0.00 C ATOM 925 O PHE A 61 72.454 -6.535 2.599 1.00 0.00 O ATOM 926 CB PHE A 61 72.238 -3.774 4.475 1.00 0.00 C ATOM 927 CG PHE A 61 72.824 -2.728 5.382 1.00 0.00 C ATOM 928 CD1 PHE A 61 72.706 -2.846 6.758 1.00 0.00 C ATOM 929 CD2 PHE A 61 73.492 -1.633 4.861 1.00 0.00 C ATOM 930 CE1 PHE A 61 73.240 -1.887 7.596 1.00 0.00 C ATOM 931 CE2 PHE A 61 74.026 -0.670 5.693 1.00 0.00 C ATOM 932 CZ PHE A 61 73.903 -0.799 7.063 1.00 0.00 C ATOM 0 H PHE A 61 74.226 -4.864 2.682 1.00 0.00 H new ATOM 0 HA PHE A 61 73.300 -5.389 5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 61 72.150 -3.360 3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 61 71.228 -4.008 4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 61 72.191 -3.697 7.179 1.00 0.00 H new ATOM 0 HD2 PHE A 61 73.596 -1.531 3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 61 73.139 -1.988 8.667 1.00 0.00 H new ATOM 0 HE2 PHE A 61 74.539 0.183 5.274 1.00 0.00 H new ATOM 0 HZ PHE A 61 74.325 -0.050 7.717 1.00 0.00 H new ATOM 942 N LYS A 62 71.241 -6.654 4.484 1.00 0.00 N ATOM 943 CA LYS A 62 70.348 -7.693 4.003 1.00 0.00 C ATOM 944 C LYS A 62 68.937 -7.119 3.889 1.00 0.00 C ATOM 945 O LYS A 62 68.652 -6.078 4.483 1.00 0.00 O ATOM 946 CB LYS A 62 70.410 -8.891 4.963 1.00 0.00 C ATOM 947 CG LYS A 62 69.478 -10.041 4.618 1.00 0.00 C ATOM 948 CD LYS A 62 69.894 -11.350 5.282 1.00 0.00 C ATOM 949 CE LYS A 62 69.763 -11.319 6.799 1.00 0.00 C ATOM 950 NZ LYS A 62 70.797 -10.466 7.448 1.00 0.00 N ATOM 0 H LYS A 62 71.043 -6.346 5.436 1.00 0.00 H new ATOM 0 HA LYS A 62 70.649 -8.042 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 62 71.433 -9.267 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 62 70.176 -8.543 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 62 68.464 -9.787 4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 62 69.458 -10.176 3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 62 69.282 -12.161 4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 62 70.928 -11.572 5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 62 68.773 -10.950 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 62 69.840 -12.335 7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 71.146 -10.937 8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 71.588 -10.318 6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 70.380 -9.547 7.701 1.00 0.00 H new ATOM 964 N GLU A 63 68.069 -7.781 3.124 1.00 0.00 N ATOM 965 CA GLU A 63 66.707 -7.290 2.873 1.00 0.00 C ATOM 966 C GLU A 63 65.955 -6.988 4.174 1.00 0.00 C ATOM 967 O GLU A 63 65.114 -6.094 4.222 1.00 0.00 O ATOM 968 CB GLU A 63 65.921 -8.315 2.052 1.00 0.00 C ATOM 969 CG GLU A 63 66.617 -8.714 0.762 1.00 0.00 C ATOM 970 CD GLU A 63 65.824 -9.702 -0.067 1.00 0.00 C ATOM 971 OE1 GLU A 63 65.537 -10.812 0.432 1.00 0.00 O ATOM 972 OE2 GLU A 63 65.501 -9.381 -1.231 1.00 0.00 O ATOM 0 H GLU A 63 68.284 -8.665 2.663 1.00 0.00 H new ATOM 0 HA GLU A 63 66.796 -6.358 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.756 -9.206 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 63 64.939 -7.904 1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 63 66.805 -7.820 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 63 67.588 -9.148 1.001 1.00 0.00 H new ATOM 979 N HIS A 64 66.278 -7.728 5.226 1.00 0.00 N ATOM 980 CA HIS A 64 65.615 -7.568 6.518 1.00 0.00 C ATOM 981 C HIS A 64 66.095 -6.304 7.245 1.00 0.00 C ATOM 982 O HIS A 64 65.401 -5.774 8.114 1.00 0.00 O ATOM 983 CB HIS A 64 65.871 -8.814 7.377 1.00 0.00 C ATOM 984 CG HIS A 64 65.298 -8.748 8.761 1.00 0.00 C ATOM 985 ND1 HIS A 64 66.032 -8.345 9.851 1.00 0.00 N ATOM 986 CD2 HIS A 64 64.064 -9.046 9.231 1.00 0.00 C ATOM 987 CE1 HIS A 64 65.280 -8.397 10.933 1.00 0.00 C ATOM 988 NE2 HIS A 64 64.080 -8.821 10.585 1.00 0.00 N ATOM 0 H HIS A 64 66.999 -8.449 5.212 1.00 0.00 H new ATOM 0 HA HIS A 64 64.544 -7.456 6.347 1.00 0.00 H new ATOM 0 HB2 HIS A 64 65.454 -9.682 6.867 1.00 0.00 H new ATOM 0 HB3 HIS A 64 66.947 -8.973 7.451 1.00 0.00 H new ATOM 0 HD1 HIS A 64 67.008 -8.051 9.827 1.00 0.00 H new ATOM 0 HD2 HIS A 64 63.224 -9.395 8.649 1.00 0.00 H new ATOM 0 HE1 HIS A 64 65.593 -8.137 11.933 1.00 0.00 H new ATOM 997 N GLU A 65 67.269 -5.816 6.875 1.00 0.00 N ATOM 998 CA GLU A 65 67.879 -4.683 7.563 1.00 0.00 C ATOM 999 C GLU A 65 67.568 -3.359 6.867 1.00 0.00 C ATOM 1000 O GLU A 65 67.963 -2.296 7.349 1.00 0.00 O ATOM 1001 CB GLU A 65 69.399 -4.860 7.656 1.00 0.00 C ATOM 1002 CG GLU A 65 69.864 -5.753 8.801 1.00 0.00 C ATOM 1003 CD GLU A 65 69.435 -7.198 8.658 1.00 0.00 C ATOM 1004 OE1 GLU A 65 70.090 -7.946 7.902 1.00 0.00 O ATOM 1005 OE2 GLU A 65 68.457 -7.599 9.323 1.00 0.00 O ATOM 0 H GLU A 65 67.821 -6.186 6.101 1.00 0.00 H new ATOM 0 HA GLU A 65 67.451 -4.654 8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 65 69.761 -5.277 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 65 69.860 -3.879 7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 65 70.951 -5.711 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 65 69.474 -5.358 9.739 1.00 0.00 H new ATOM 1012 N LEU A 66 66.856 -3.413 5.749 1.00 0.00 N ATOM 1013 CA LEU A 66 66.612 -2.210 4.963 1.00 0.00 C ATOM 1014 C LEU A 66 65.126 -1.936 4.781 1.00 0.00 C ATOM 1015 O LEU A 66 64.304 -2.853 4.756 1.00 0.00 O ATOM 1016 CB LEU A 66 67.285 -2.325 3.596 1.00 0.00 C ATOM 1017 CG LEU A 66 68.812 -2.404 3.627 1.00 0.00 C ATOM 1018 CD1 LEU A 66 69.361 -2.545 2.219 1.00 0.00 C ATOM 1019 CD2 LEU A 66 69.397 -1.173 4.305 1.00 0.00 C ATOM 0 H LEU A 66 66.442 -4.264 5.369 1.00 0.00 H new ATOM 0 HA LEU A 66 67.040 -1.373 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 66 66.901 -3.213 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 66 66.994 -1.466 2.992 1.00 0.00 H new ATOM 0 HG LEU A 66 69.101 -3.283 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 66 70.449 -2.600 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.967 -3.454 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.062 -1.682 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 66 70.484 -1.247 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.100 -0.280 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.026 -1.110 5.328 1.00 0.00 H new ATOM 1031 N THR A 67 64.798 -0.659 4.661 1.00 0.00 N ATOM 1032 CA THR A 67 63.436 -0.227 4.392 1.00 0.00 C ATOM 1033 C THR A 67 63.433 0.756 3.219 1.00 0.00 C ATOM 1034 O THR A 67 64.106 1.783 3.270 1.00 0.00 O ATOM 1035 CB THR A 67 62.822 0.449 5.633 1.00 0.00 C ATOM 1036 OG1 THR A 67 63.039 -0.370 6.790 1.00 0.00 O ATOM 1037 CG2 THR A 67 61.328 0.683 5.452 1.00 0.00 C ATOM 0 H THR A 67 65.467 0.106 4.747 1.00 0.00 H new ATOM 0 HA THR A 67 62.837 -1.103 4.142 1.00 0.00 H new ATOM 0 HB THR A 67 63.309 1.415 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 67 62.648 0.065 7.577 1.00 0.00 H new ATOM 0 HG21 THR A 67 60.924 1.161 6.344 1.00 0.00 H new ATOM 0 HG22 THR A 67 61.163 1.327 4.589 1.00 0.00 H new ATOM 0 HG23 THR A 67 60.827 -0.272 5.293 1.00 0.00 H new ATOM 1045 N PRO A 68 62.700 0.446 2.139 1.00 0.00 N ATOM 1046 CA PRO A 68 62.678 1.283 0.933 1.00 0.00 C ATOM 1047 C PRO A 68 62.119 2.684 1.184 1.00 0.00 C ATOM 1048 O PRO A 68 61.194 2.869 1.978 1.00 0.00 O ATOM 1049 CB PRO A 68 61.775 0.509 -0.034 1.00 0.00 C ATOM 1050 CG PRO A 68 60.970 -0.404 0.826 1.00 0.00 C ATOM 1051 CD PRO A 68 61.841 -0.742 2.002 1.00 0.00 C ATOM 0 HA PRO A 68 63.685 1.453 0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 68 61.133 1.185 -0.599 1.00 0.00 H new ATOM 0 HB3 PRO A 68 62.365 -0.052 -0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 68 60.047 0.078 1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 68 60.685 -1.304 0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 68 61.252 -0.918 2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.427 -1.644 1.823 1.00 0.00 H new ATOM 1059 N LEU A 69 62.701 3.669 0.513 1.00 0.00 N ATOM 1060 CA LEU A 69 62.224 5.040 0.601 1.00 0.00 C ATOM 1061 C LEU A 69 61.273 5.339 -0.550 1.00 0.00 C ATOM 1062 O LEU A 69 61.367 4.730 -1.619 1.00 0.00 O ATOM 1063 CB LEU A 69 63.397 6.024 0.575 1.00 0.00 C ATOM 1064 CG LEU A 69 64.349 5.941 1.770 1.00 0.00 C ATOM 1065 CD1 LEU A 69 65.510 6.905 1.589 1.00 0.00 C ATOM 1066 CD2 LEU A 69 63.606 6.240 3.064 1.00 0.00 C ATOM 0 H LEU A 69 63.507 3.542 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 69 61.692 5.158 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.970 5.856 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 69 62.998 7.037 0.519 1.00 0.00 H new ATOM 0 HG LEU A 69 64.746 4.927 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 69 66.179 6.835 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 69 66.057 6.650 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 69 65.129 7.923 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.298 6.177 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 69 63.183 7.244 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 69 62.804 5.514 3.199 1.00 0.00 H new ATOM 1078 N LYS A 70 60.358 6.271 -0.332 1.00 0.00 N ATOM 1079 CA LYS A 70 59.380 6.630 -1.348 1.00 0.00 C ATOM 1080 C LYS A 70 59.405 8.132 -1.602 1.00 0.00 C ATOM 1081 O LYS A 70 59.645 8.919 -0.684 1.00 0.00 O ATOM 1082 CB LYS A 70 57.982 6.186 -0.914 1.00 0.00 C ATOM 1083 CG LYS A 70 57.876 4.689 -0.665 1.00 0.00 C ATOM 1084 CD LYS A 70 56.519 4.312 -0.105 1.00 0.00 C ATOM 1085 CE LYS A 70 56.438 2.826 0.204 1.00 0.00 C ATOM 1086 NZ LYS A 70 55.141 2.462 0.835 1.00 0.00 N ATOM 0 H LYS A 70 60.272 6.793 0.540 1.00 0.00 H new ATOM 0 HA LYS A 70 59.637 6.119 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 70 57.705 6.719 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 70 57.263 6.471 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 70 58.048 4.151 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 70 58.656 4.379 0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 70 56.327 4.885 0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 70 55.742 4.579 -0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 70 56.567 2.256 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 70 57.256 2.548 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 55.125 1.441 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 55.029 2.987 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 54.361 2.704 0.190 1.00 0.00 H new ATOM 1100 N GLY A 71 59.149 8.522 -2.843 1.00 0.00 N ATOM 1101 CA GLY A 71 59.221 9.921 -3.214 1.00 0.00 C ATOM 1102 C GLY A 71 58.038 10.712 -2.704 1.00 0.00 C ATOM 1103 O GLY A 71 58.187 11.852 -2.253 1.00 0.00 O ATOM 0 H GLY A 71 58.892 7.892 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 71 60.141 10.352 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 71 59.270 10.005 -4.300 1.00 0.00 H new ATOM 1107 N GLY A 72 56.861 10.106 -2.766 1.00 0.00 N ATOM 1108 CA GLY A 72 55.665 10.766 -2.287 1.00 0.00 C ATOM 1109 C GLY A 72 54.453 10.446 -3.134 1.00 0.00 C ATOM 1110 O GLY A 72 53.905 9.345 -3.048 1.00 0.00 O ATOM 0 H GLY A 72 56.713 9.168 -3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 72 55.475 10.465 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 72 55.826 11.844 -2.280 1.00 0.00 H new ATOM 1114 N LEU A 73 54.045 11.415 -3.956 1.00 0.00 N ATOM 1115 CA LEU A 73 52.863 11.281 -4.808 1.00 0.00 C ATOM 1116 C LEU A 73 51.600 11.132 -3.963 1.00 0.00 C ATOM 1117 O LEU A 73 50.580 10.623 -4.429 1.00 0.00 O ATOM 1118 CB LEU A 73 52.995 10.093 -5.777 1.00 0.00 C ATOM 1119 CG LEU A 73 53.947 10.296 -6.964 1.00 0.00 C ATOM 1120 CD1 LEU A 73 55.403 10.282 -6.519 1.00 0.00 C ATOM 1121 CD2 LEU A 73 53.703 9.233 -8.023 1.00 0.00 C ATOM 0 H LEU A 73 54.523 12.311 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 73 52.785 12.192 -5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 73 53.331 9.224 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 73 52.005 9.856 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 73 53.742 11.276 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 73 56.049 10.428 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 73 55.572 11.084 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 73 55.632 9.324 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 73 54.385 9.389 -8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 73 53.875 8.246 -7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 73 52.674 9.301 -8.376 1.00 0.00 H new ATOM 1133 N ALA A 74 51.663 11.614 -2.730 1.00 0.00 N ATOM 1134 CA ALA A 74 50.556 11.490 -1.799 1.00 0.00 C ATOM 1135 C ALA A 74 49.846 12.824 -1.613 1.00 0.00 C ATOM 1136 O ALA A 74 48.787 12.892 -0.989 1.00 0.00 O ATOM 1137 CB ALA A 74 51.058 10.970 -0.462 1.00 0.00 C ATOM 0 H ALA A 74 52.477 12.098 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 74 49.839 10.781 -2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 74 50.221 10.880 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 74 51.520 9.993 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 74 51.793 11.664 -0.055 1.00 0.00 H new ATOM 1143 N TYR A 75 50.442 13.887 -2.139 1.00 0.00 N ATOM 1144 CA TYR A 75 49.863 15.221 -2.032 1.00 0.00 C ATOM 1145 C TYR A 75 49.603 15.803 -3.422 1.00 0.00 C ATOM 1146 O TYR A 75 49.122 16.928 -3.565 1.00 0.00 O ATOM 1147 CB TYR A 75 50.808 16.123 -1.227 1.00 0.00 C ATOM 1148 CG TYR A 75 50.227 17.476 -0.865 1.00 0.00 C ATOM 1149 CD1 TYR A 75 49.190 17.588 0.052 1.00 0.00 C ATOM 1150 CD2 TYR A 75 50.722 18.639 -1.439 1.00 0.00 C ATOM 1151 CE1 TYR A 75 48.661 18.822 0.385 1.00 0.00 C ATOM 1152 CE2 TYR A 75 50.200 19.875 -1.112 1.00 0.00 C ATOM 1153 CZ TYR A 75 49.170 19.963 -0.200 1.00 0.00 C ATOM 1154 OH TYR A 75 48.650 21.197 0.128 1.00 0.00 O ATOM 0 H TYR A 75 51.327 13.851 -2.645 1.00 0.00 H new ATOM 0 HA TYR A 75 48.907 15.160 -1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 75 51.091 15.606 -0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 75 51.722 16.276 -1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 75 48.790 16.697 0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 75 51.529 18.576 -2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 75 47.854 18.892 1.099 1.00 0.00 H new ATOM 0 HE2 TYR A 75 50.597 20.769 -1.569 1.00 0.00 H new ATOM 0 HH TYR A 75 49.122 21.895 -0.373 1.00 0.00 H new ATOM 1164 N VAL A 76 49.902 15.015 -4.446 1.00 0.00 N ATOM 1165 CA VAL A 76 49.754 15.458 -5.826 1.00 0.00 C ATOM 1166 C VAL A 76 48.385 15.065 -6.380 1.00 0.00 C ATOM 1167 O VAL A 76 47.827 14.029 -6.009 1.00 0.00 O ATOM 1168 CB VAL A 76 50.874 14.872 -6.725 1.00 0.00 C ATOM 1169 CG1 VAL A 76 50.775 13.356 -6.813 1.00 0.00 C ATOM 1170 CG2 VAL A 76 50.846 15.489 -8.117 1.00 0.00 C ATOM 0 H VAL A 76 50.250 14.061 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 76 49.838 16.545 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 76 51.827 15.124 -6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 76 51.574 12.976 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 76 50.871 12.927 -5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 76 49.810 13.078 -7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 76 51.643 15.057 -8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 76 49.883 15.285 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 76 50.992 16.567 -8.040 1.00 0.00 H new ATOM 1180 N LEU A 77 47.836 15.908 -7.243 1.00 0.00 N ATOM 1181 CA LEU A 77 46.580 15.609 -7.911 1.00 0.00 C ATOM 1182 C LEU A 77 46.852 15.362 -9.385 1.00 0.00 C ATOM 1183 O LEU A 77 46.948 16.303 -10.171 1.00 0.00 O ATOM 1184 CB LEU A 77 45.566 16.753 -7.753 1.00 0.00 C ATOM 1185 CG LEU A 77 45.002 16.969 -6.340 1.00 0.00 C ATOM 1186 CD1 LEU A 77 46.042 17.584 -5.413 1.00 0.00 C ATOM 1187 CD2 LEU A 77 43.757 17.841 -6.399 1.00 0.00 C ATOM 0 H LEU A 77 48.244 16.808 -7.497 1.00 0.00 H new ATOM 0 HA LEU A 77 46.148 14.721 -7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 77 46.041 17.679 -8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 77 44.732 16.568 -8.430 1.00 0.00 H new ATOM 0 HG LEU A 77 44.732 15.995 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 77 45.609 17.723 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 77 46.904 16.921 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 77 46.358 18.549 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 77 43.367 17.987 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 77 44.010 18.808 -6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 77 43.000 17.354 -7.014 1.00 0.00 H new ATOM 1199 N GLU A 78 47.004 14.101 -9.753 1.00 0.00 N ATOM 1200 CA GLU A 78 47.383 13.753 -11.113 1.00 0.00 C ATOM 1201 C GLU A 78 46.239 13.038 -11.824 1.00 0.00 C ATOM 1202 O GLU A 78 46.022 11.843 -11.625 1.00 0.00 O ATOM 1203 CB GLU A 78 48.653 12.889 -11.088 1.00 0.00 C ATOM 1204 CG GLU A 78 49.327 12.709 -12.443 1.00 0.00 C ATOM 1205 CD GLU A 78 48.745 11.574 -13.259 1.00 0.00 C ATOM 1206 OE1 GLU A 78 49.111 10.406 -13.003 1.00 0.00 O ATOM 1207 OE2 GLU A 78 47.935 11.843 -14.169 1.00 0.00 O ATOM 0 H GLU A 78 46.871 13.303 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 78 47.595 14.665 -11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 78 49.368 13.338 -10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 78 48.400 11.906 -10.690 1.00 0.00 H new ATOM 0 HG2 GLU A 78 49.240 13.636 -13.010 1.00 0.00 H new ATOM 0 HG3 GLU A 78 50.391 12.528 -12.290 1.00 0.00 H new ATOM 1214 N HIS A 79 45.483 13.794 -12.613 1.00 0.00 N ATOM 1215 CA HIS A 79 44.421 13.234 -13.444 1.00 0.00 C ATOM 1216 C HIS A 79 44.242 14.049 -14.721 1.00 0.00 C ATOM 1217 O HIS A 79 44.064 13.489 -15.804 1.00 0.00 O ATOM 1218 CB HIS A 79 43.089 13.168 -12.685 1.00 0.00 C ATOM 1219 CG HIS A 79 42.979 12.005 -11.747 1.00 0.00 C ATOM 1220 ND1 HIS A 79 42.906 12.142 -10.377 1.00 0.00 N ATOM 1221 CD2 HIS A 79 42.917 10.674 -11.992 1.00 0.00 C ATOM 1222 CE1 HIS A 79 42.807 10.950 -9.822 1.00 0.00 C ATOM 1223 NE2 HIS A 79 42.811 10.043 -10.778 1.00 0.00 N ATOM 0 H HIS A 79 45.587 14.805 -12.695 1.00 0.00 H new ATOM 0 HA HIS A 79 44.720 12.219 -13.707 1.00 0.00 H new ATOM 0 HB2 HIS A 79 42.959 14.091 -12.120 1.00 0.00 H new ATOM 0 HB3 HIS A 79 42.274 13.118 -13.407 1.00 0.00 H new ATOM 0 HD2 HIS A 79 42.946 10.199 -12.961 1.00 0.00 H new ATOM 0 HE1 HIS A 79 42.735 10.751 -8.763 1.00 0.00 H new ATOM 0 HE2 HIS A 79 42.746 9.035 -10.638 1.00 0.00 H new ATOM 1232 N HIS A 80 44.305 15.372 -14.600 1.00 0.00 N ATOM 1233 CA HIS A 80 44.073 16.249 -15.739 1.00 0.00 C ATOM 1234 C HIS A 80 45.175 17.300 -15.863 1.00 0.00 C ATOM 1235 O HIS A 80 45.061 18.406 -15.338 1.00 0.00 O ATOM 1236 CB HIS A 80 42.695 16.915 -15.615 1.00 0.00 C ATOM 1237 CG HIS A 80 42.320 17.786 -16.776 1.00 0.00 C ATOM 1238 ND1 HIS A 80 42.246 17.323 -18.070 1.00 0.00 N ATOM 1239 CD2 HIS A 80 41.984 19.097 -16.828 1.00 0.00 C ATOM 1240 CE1 HIS A 80 41.882 18.309 -18.867 1.00 0.00 C ATOM 1241 NE2 HIS A 80 41.714 19.396 -18.141 1.00 0.00 N ATOM 0 H HIS A 80 44.514 15.857 -13.727 1.00 0.00 H new ATOM 0 HA HIS A 80 44.093 15.646 -16.647 1.00 0.00 H new ATOM 0 HB2 HIS A 80 41.939 16.138 -15.500 1.00 0.00 H new ATOM 0 HB3 HIS A 80 42.676 17.515 -14.705 1.00 0.00 H new ATOM 0 HD2 HIS A 80 41.937 19.780 -15.993 1.00 0.00 H new ATOM 0 HE1 HIS A 80 41.745 18.237 -19.936 1.00 0.00 H new ATOM 0 HE2 HIS A 80 41.430 20.309 -18.496 1.00 0.00 H new ATOM 1250 N HIS A 81 46.255 16.926 -16.536 1.00 0.00 N ATOM 1251 CA HIS A 81 47.357 17.837 -16.824 1.00 0.00 C ATOM 1252 C HIS A 81 47.728 17.728 -18.299 1.00 0.00 C ATOM 1253 O HIS A 81 47.957 16.625 -18.802 1.00 0.00 O ATOM 1254 CB HIS A 81 48.596 17.513 -15.969 1.00 0.00 C ATOM 1255 CG HIS A 81 48.439 17.776 -14.499 1.00 0.00 C ATOM 1256 ND1 HIS A 81 49.118 17.067 -13.529 1.00 0.00 N ATOM 1257 CD2 HIS A 81 47.694 18.690 -13.834 1.00 0.00 C ATOM 1258 CE1 HIS A 81 48.793 17.532 -12.339 1.00 0.00 C ATOM 1259 NE2 HIS A 81 47.932 18.517 -12.495 1.00 0.00 N ATOM 0 H HIS A 81 46.393 15.982 -16.898 1.00 0.00 H new ATOM 0 HA HIS A 81 47.031 18.849 -16.584 1.00 0.00 H new ATOM 0 HB2 HIS A 81 48.851 16.463 -16.110 1.00 0.00 H new ATOM 0 HB3 HIS A 81 49.438 18.098 -16.340 1.00 0.00 H new ATOM 0 HD2 HIS A 81 47.034 19.421 -14.277 1.00 0.00 H new ATOM 0 HE1 HIS A 81 49.169 17.167 -11.395 1.00 0.00 H new ATOM 0 HE2 HIS A 81 47.511 19.062 -11.742 1.00 0.00 H new ATOM 1268 N HIS A 82 47.779 18.851 -18.999 1.00 0.00 N ATOM 1269 CA HIS A 82 48.158 18.830 -20.406 1.00 0.00 C ATOM 1270 C HIS A 82 49.470 19.580 -20.621 1.00 0.00 C ATOM 1271 O HIS A 82 49.487 20.770 -20.925 1.00 0.00 O ATOM 1272 CB HIS A 82 47.035 19.369 -21.324 1.00 0.00 C ATOM 1273 CG HIS A 82 46.691 20.825 -21.158 1.00 0.00 C ATOM 1274 ND1 HIS A 82 47.133 21.804 -22.024 1.00 0.00 N ATOM 1275 CD2 HIS A 82 45.928 21.460 -20.242 1.00 0.00 C ATOM 1276 CE1 HIS A 82 46.656 22.972 -21.645 1.00 0.00 C ATOM 1277 NE2 HIS A 82 45.921 22.795 -20.567 1.00 0.00 N ATOM 0 H HIS A 82 47.567 19.776 -18.625 1.00 0.00 H new ATOM 0 HA HIS A 82 48.312 17.788 -20.688 1.00 0.00 H new ATOM 0 HB2 HIS A 82 47.328 19.201 -22.360 1.00 0.00 H new ATOM 0 HB3 HIS A 82 46.135 18.781 -21.148 1.00 0.00 H new ATOM 0 HD2 HIS A 82 45.417 21.003 -19.408 1.00 0.00 H new ATOM 0 HE1 HIS A 82 46.837 23.917 -22.136 1.00 0.00 H new ATOM 0 HE2 HIS A 82 45.428 23.528 -20.057 1.00 0.00 H new ATOM 1286 N HIS A 83 50.574 18.868 -20.421 1.00 0.00 N ATOM 1287 CA HIS A 83 51.912 19.423 -20.620 1.00 0.00 C ATOM 1288 C HIS A 83 52.164 20.605 -19.685 1.00 0.00 C ATOM 1289 O HIS A 83 51.456 20.792 -18.692 1.00 0.00 O ATOM 1290 CB HIS A 83 52.115 19.842 -22.083 1.00 0.00 C ATOM 1291 CG HIS A 83 51.982 18.706 -23.049 1.00 0.00 C ATOM 1292 ND1 HIS A 83 51.639 18.872 -24.373 1.00 0.00 N ATOM 1293 CD2 HIS A 83 52.151 17.374 -22.873 1.00 0.00 C ATOM 1294 CE1 HIS A 83 51.601 17.692 -24.965 1.00 0.00 C ATOM 1295 NE2 HIS A 83 51.908 16.767 -24.077 1.00 0.00 N ATOM 0 H HIS A 83 50.569 17.894 -20.118 1.00 0.00 H new ATOM 0 HA HIS A 83 52.635 18.643 -20.380 1.00 0.00 H new ATOM 0 HB2 HIS A 83 51.387 20.613 -22.337 1.00 0.00 H new ATOM 0 HB3 HIS A 83 53.103 20.288 -22.192 1.00 0.00 H new ATOM 0 HD2 HIS A 83 52.427 16.881 -21.953 1.00 0.00 H new ATOM 0 HE1 HIS A 83 51.359 17.515 -26.002 1.00 0.00 H new ATOM 0 HE2 HIS A 83 51.957 15.764 -24.257 1.00 0.00 H new ATOM 1304 N HIS A 84 53.184 21.388 -19.993 1.00 0.00 N ATOM 1305 CA HIS A 84 53.533 22.536 -19.177 1.00 0.00 C ATOM 1306 C HIS A 84 53.280 23.816 -19.960 1.00 0.00 C ATOM 1307 O HIS A 84 54.181 24.250 -20.707 1.00 0.00 O ATOM 1308 CB HIS A 84 54.996 22.447 -18.732 1.00 0.00 C ATOM 1309 CG HIS A 84 55.430 23.550 -17.815 1.00 0.00 C ATOM 1310 ND1 HIS A 84 56.473 24.400 -18.107 1.00 0.00 N ATOM 1311 CD2 HIS A 84 54.977 23.920 -16.595 1.00 0.00 C ATOM 1312 CE1 HIS A 84 56.645 25.244 -17.108 1.00 0.00 C ATOM 1313 NE2 HIS A 84 55.750 24.976 -16.175 1.00 0.00 N ATOM 1314 OXT HIS A 84 52.167 24.365 -19.849 1.00 0.00 O ATOM 0 H HIS A 84 53.786 21.248 -20.805 1.00 0.00 H new ATOM 0 HA HIS A 84 52.910 22.545 -18.283 1.00 0.00 H new ATOM 0 HB2 HIS A 84 55.154 21.491 -18.232 1.00 0.00 H new ATOM 0 HB3 HIS A 84 55.634 22.453 -19.616 1.00 0.00 H new ATOM 0 HD2 HIS A 84 54.160 23.469 -16.052 1.00 0.00 H new ATOM 0 HE1 HIS A 84 57.392 26.023 -17.061 1.00 0.00 H new ATOM 0 HE2 HIS A 84 55.649 25.471 -15.289 1.00 0.00 H new TER 1323 HIS A 84