USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 880 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 100 THR OG1 : rot 180:sc= 0.102 USER MOD Set 1.2: A 102 THR OG1 : rot 85:sc= 0.0986 USER MOD Single : A 6 GLN : amide:sc= -0.453 K(o=-0.45,f=-1.9!) USER MOD Single : A 7 TYR OH : rot 94:sc= 1.22 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0908 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= -9.14! C(o=-9.1!,f=-12!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.8!) USER MOD Single : A 44 MET CE :methyl -142:sc= -0.629 (180deg=-2.23) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 57 THR OG1 : rot -47:sc= 0.964 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -1.35 (180deg=-1.88) USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= -0.0432 (180deg=-0.294) USER MOD Single : A 65 THR OG1 : rot -170:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0675 X(o=-0.067,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 30:sc= -0.937 USER MOD Single : A 83 THR OG1 : rot -161:sc= -2.22! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= 0.156 (180deg=0.0128) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0783 USER MOD Single : A 94 GLN : amide:sc= -0.256 K(o=-0.26,f=-7.7!) USER MOD Single : A 96 ASN : amide:sc= -1.22 K(o=-1.2,f=-3!) USER MOD Single : A 106 ASN : amide:sc= -0.825 X(o=-0.83,f=-0.4) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 169:sc= 0.506 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 162.757 13.740 7.997 1.00 0.00 N ATOM 2 CA GLN A 6 163.418 12.661 7.218 1.00 0.00 C ATOM 3 C GLN A 6 164.889 12.526 7.598 1.00 0.00 C ATOM 4 O GLN A 6 165.608 13.520 7.702 1.00 0.00 O ATOM 5 CB GLN A 6 163.284 12.982 5.728 1.00 0.00 C ATOM 6 CG GLN A 6 163.018 11.761 4.864 1.00 0.00 C ATOM 7 CD GLN A 6 163.370 11.991 3.407 1.00 0.00 C ATOM 8 OE1 GLN A 6 164.256 12.785 3.088 1.00 0.00 O ATOM 9 NE2 GLN A 6 162.676 11.296 2.512 1.00 0.00 N ATOM 0 HA GLN A 6 162.934 11.711 7.443 1.00 0.00 H new ATOM 0 HB2 GLN A 6 162.473 13.697 5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 6 164.198 13.467 5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 6 163.595 10.918 5.245 1.00 0.00 H new ATOM 0 HG3 GLN A 6 161.966 11.488 4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 6 161.950 10.649 2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 6 162.869 11.410 1.517 1.00 0.00 H new ATOM 18 N TYR A 7 165.330 11.289 7.804 1.00 0.00 N ATOM 19 CA TYR A 7 166.715 11.022 8.174 1.00 0.00 C ATOM 20 C TYR A 7 167.621 11.081 6.953 1.00 0.00 C ATOM 21 O TYR A 7 167.154 11.214 5.822 1.00 0.00 O ATOM 22 CB TYR A 7 166.826 9.651 8.847 1.00 0.00 C ATOM 23 CG TYR A 7 168.199 9.318 9.385 1.00 0.00 C ATOM 24 CD1 TYR A 7 168.770 10.072 10.402 1.00 0.00 C ATOM 25 CD2 TYR A 7 168.921 8.244 8.879 1.00 0.00 C ATOM 26 CE1 TYR A 7 170.022 9.766 10.901 1.00 0.00 C ATOM 27 CE2 TYR A 7 170.174 7.932 9.372 1.00 0.00 C ATOM 28 CZ TYR A 7 170.720 8.696 10.382 1.00 0.00 C ATOM 29 OH TYR A 7 171.967 8.386 10.876 1.00 0.00 O ATOM 0 H TYR A 7 164.748 10.456 7.721 1.00 0.00 H new ATOM 0 HA TYR A 7 167.036 11.790 8.877 1.00 0.00 H new ATOM 0 HB2 TYR A 7 166.109 9.605 9.667 1.00 0.00 H new ATOM 0 HB3 TYR A 7 166.537 8.884 8.128 1.00 0.00 H new ATOM 0 HD1 TYR A 7 168.227 10.912 10.810 1.00 0.00 H new ATOM 0 HD2 TYR A 7 168.496 7.644 8.088 1.00 0.00 H new ATOM 0 HE1 TYR A 7 170.451 10.362 11.693 1.00 0.00 H new ATOM 0 HE2 TYR A 7 170.723 7.094 8.968 1.00 0.00 H new ATOM 0 HH TYR A 7 171.881 7.710 11.580 1.00 0.00 H new ATOM 39 N VAL A 8 168.918 10.990 7.195 1.00 0.00 N ATOM 40 CA VAL A 8 169.904 11.039 6.124 1.00 0.00 C ATOM 41 C VAL A 8 170.662 9.720 6.001 1.00 0.00 C ATOM 42 O VAL A 8 170.704 8.928 6.939 1.00 0.00 O ATOM 43 CB VAL A 8 170.917 12.175 6.347 1.00 0.00 C ATOM 44 CG1 VAL A 8 171.783 12.369 5.113 1.00 0.00 C ATOM 45 CG2 VAL A 8 170.202 13.467 6.714 1.00 0.00 C ATOM 0 H VAL A 8 169.316 10.881 8.128 1.00 0.00 H new ATOM 0 HA VAL A 8 169.353 11.223 5.202 1.00 0.00 H new ATOM 0 HB VAL A 8 171.566 11.898 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 8 172.493 13.177 5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 8 172.326 11.448 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 8 171.151 12.622 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 8 170.936 14.258 6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 8 169.526 13.751 5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 8 169.631 13.319 7.631 1.00 0.00 H new ATOM 55 N VAL A 9 171.259 9.495 4.836 1.00 0.00 N ATOM 56 CA VAL A 9 172.016 8.273 4.587 1.00 0.00 C ATOM 57 C VAL A 9 173.337 8.267 5.360 1.00 0.00 C ATOM 58 O VAL A 9 173.986 9.304 5.497 1.00 0.00 O ATOM 59 CB VAL A 9 172.312 8.102 3.083 1.00 0.00 C ATOM 60 CG1 VAL A 9 173.169 9.252 2.571 1.00 0.00 C ATOM 61 CG2 VAL A 9 172.982 6.761 2.818 1.00 0.00 C ATOM 0 H VAL A 9 171.234 10.143 4.049 1.00 0.00 H new ATOM 0 HA VAL A 9 171.400 7.442 4.931 1.00 0.00 H new ATOM 0 HB VAL A 9 171.366 8.119 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 9 173.367 9.113 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 9 172.642 10.194 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 9 174.113 9.273 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 9 173.183 6.659 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 9 173.920 6.707 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 9 172.324 5.955 3.142 1.00 0.00 H new ATOM 71 N PRO A 10 173.758 7.094 5.873 1.00 0.00 N ATOM 72 CA PRO A 10 175.008 6.961 6.630 1.00 0.00 C ATOM 73 C PRO A 10 176.242 7.162 5.756 1.00 0.00 C ATOM 74 O PRO A 10 176.132 7.436 4.561 1.00 0.00 O ATOM 75 CB PRO A 10 174.970 5.520 7.161 1.00 0.00 C ATOM 76 CG PRO A 10 173.573 5.047 6.944 1.00 0.00 C ATOM 77 CD PRO A 10 173.056 5.808 5.761 1.00 0.00 C ATOM 0 HA PRO A 10 175.079 7.715 7.413 1.00 0.00 H new ATOM 0 HB2 PRO A 10 175.684 4.889 6.632 1.00 0.00 H new ATOM 0 HB3 PRO A 10 175.236 5.485 8.218 1.00 0.00 H new ATOM 0 HG2 PRO A 10 173.550 3.973 6.757 1.00 0.00 H new ATOM 0 HG3 PRO A 10 172.958 5.231 7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 10 173.284 5.302 4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 10 171.974 5.932 5.801 1.00 0.00 H new ATOM 85 N SER A 11 177.417 7.025 6.364 1.00 0.00 N ATOM 86 CA SER A 11 178.674 7.193 5.650 1.00 0.00 C ATOM 87 C SER A 11 179.406 5.863 5.494 1.00 0.00 C ATOM 88 O SER A 11 179.737 5.206 6.481 1.00 0.00 O ATOM 89 CB SER A 11 179.560 8.187 6.395 1.00 0.00 C ATOM 90 OG SER A 11 180.581 8.696 5.552 1.00 0.00 O ATOM 0 H SER A 11 177.522 6.797 7.353 1.00 0.00 H new ATOM 0 HA SER A 11 178.451 7.574 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 11 178.952 9.010 6.771 1.00 0.00 H new ATOM 0 HB3 SER A 11 180.009 7.700 7.261 1.00 0.00 H new ATOM 0 HG SER A 11 181.133 9.332 6.054 1.00 0.00 H new ATOM 96 N ALA A 12 179.656 5.472 4.247 1.00 0.00 N ATOM 97 CA ALA A 12 180.350 4.222 3.964 1.00 0.00 C ATOM 98 C ALA A 12 181.864 4.385 4.078 1.00 0.00 C ATOM 99 O ALA A 12 182.479 5.127 3.312 1.00 0.00 O ATOM 100 CB ALA A 12 179.974 3.710 2.582 1.00 0.00 C ATOM 0 H ALA A 12 179.388 6.003 3.418 1.00 0.00 H new ATOM 0 HA ALA A 12 180.038 3.491 4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 12 180.500 2.776 2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 12 178.899 3.537 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 12 180.254 4.449 1.832 1.00 0.00 H new ATOM 106 N LYS A 13 182.458 3.679 5.036 1.00 0.00 N ATOM 107 CA LYS A 13 183.902 3.736 5.250 1.00 0.00 C ATOM 108 C LYS A 13 184.573 2.481 4.701 1.00 0.00 C ATOM 109 O LYS A 13 184.528 1.422 5.325 1.00 0.00 O ATOM 110 CB LYS A 13 184.214 3.885 6.741 1.00 0.00 C ATOM 111 CG LYS A 13 185.685 4.134 7.034 1.00 0.00 C ATOM 112 CD LYS A 13 185.865 5.126 8.173 1.00 0.00 C ATOM 113 CE LYS A 13 186.174 6.519 7.652 1.00 0.00 C ATOM 114 NZ LYS A 13 186.461 7.476 8.757 1.00 0.00 N ATOM 0 H LYS A 13 181.962 3.060 5.677 1.00 0.00 H new ATOM 0 HA LYS A 13 184.293 4.604 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 13 183.627 4.710 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 13 183.896 2.982 7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 13 186.171 3.192 7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 13 186.177 4.513 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 13 184.959 5.155 8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 13 186.673 4.792 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 13 187.031 6.473 6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 13 185.329 6.883 7.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 186.667 8.414 8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 185.634 7.540 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 187.283 7.143 9.300 1.00 0.00 H new ATOM 128 N LEU A 14 185.181 2.605 3.525 1.00 0.00 N ATOM 129 CA LEU A 14 185.847 1.476 2.881 1.00 0.00 C ATOM 130 C LEU A 14 187.321 1.391 3.267 1.00 0.00 C ATOM 131 O LEU A 14 187.878 2.316 3.858 1.00 0.00 O ATOM 132 CB LEU A 14 185.720 1.587 1.361 1.00 0.00 C ATOM 133 CG LEU A 14 184.352 2.052 0.859 1.00 0.00 C ATOM 134 CD1 LEU A 14 184.325 3.566 0.712 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.011 1.379 -0.463 1.00 0.00 C ATOM 0 H LEU A 14 185.227 3.477 2.998 1.00 0.00 H new ATOM 0 HA LEU A 14 185.356 0.566 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.479 2.280 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 14 185.940 0.614 0.921 1.00 0.00 H new ATOM 0 HG LEU A 14 183.600 1.765 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 14 183.344 3.879 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 14 184.523 4.029 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 14 185.088 3.876 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.034 1.722 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 14 184.766 1.634 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 14 183.988 0.298 -0.326 1.00 0.00 H new ATOM 147 N GLU A 15 187.944 0.267 2.919 1.00 0.00 N ATOM 148 CA GLU A 15 189.354 0.038 3.214 1.00 0.00 C ATOM 149 C GLU A 15 189.946 -0.982 2.239 1.00 0.00 C ATOM 150 O GLU A 15 189.223 -1.814 1.691 1.00 0.00 O ATOM 151 CB GLU A 15 189.517 -0.453 4.654 1.00 0.00 C ATOM 152 CG GLU A 15 189.809 0.662 5.647 1.00 0.00 C ATOM 153 CD GLU A 15 188.774 0.747 6.752 1.00 0.00 C ATOM 154 OE1 GLU A 15 187.579 0.922 6.434 1.00 0.00 O ATOM 155 OE2 GLU A 15 189.160 0.638 7.935 1.00 0.00 O ATOM 0 H GLU A 15 187.489 -0.503 2.429 1.00 0.00 H new ATOM 0 HA GLU A 15 189.891 0.980 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 15 188.607 -0.970 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 15 190.326 -1.183 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 15 190.793 0.502 6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 15 189.848 1.614 5.117 1.00 0.00 H new ATOM 162 N ALA A 16 191.259 -0.910 2.018 1.00 0.00 N ATOM 163 CA ALA A 16 191.925 -1.829 1.092 1.00 0.00 C ATOM 164 C ALA A 16 192.346 -3.126 1.783 1.00 0.00 C ATOM 165 O ALA A 16 193.006 -3.105 2.820 1.00 0.00 O ATOM 166 CB ALA A 16 193.139 -1.157 0.467 1.00 0.00 C ATOM 0 H ALA A 16 191.878 -0.232 2.462 1.00 0.00 H new ATOM 0 HA ALA A 16 191.208 -2.085 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 16 193.625 -1.850 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 16 192.822 -0.268 -0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.840 -0.871 1.251 1.00 0.00 H new ATOM 172 N ILE A 17 191.959 -4.255 1.191 1.00 0.00 N ATOM 173 CA ILE A 17 192.294 -5.566 1.738 1.00 0.00 C ATOM 174 C ILE A 17 193.264 -6.304 0.817 1.00 0.00 C ATOM 175 O ILE A 17 192.929 -6.634 -0.320 1.00 0.00 O ATOM 176 CB ILE A 17 191.025 -6.432 1.950 1.00 0.00 C ATOM 177 CG1 ILE A 17 190.163 -5.858 3.079 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.396 -7.874 2.265 1.00 0.00 C ATOM 179 CD1 ILE A 17 189.792 -4.405 2.891 1.00 0.00 C ATOM 0 H ILE A 17 191.412 -4.286 0.331 1.00 0.00 H new ATOM 0 HA ILE A 17 192.769 -5.401 2.705 1.00 0.00 H new ATOM 0 HB ILE A 17 190.452 -6.415 1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.250 -6.448 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 17 190.698 -5.967 4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 17 190.488 -8.460 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 17 191.970 -8.291 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 17 191.996 -7.905 3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 17 189.182 -4.074 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.698 -3.802 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 17 189.228 -4.290 1.966 1.00 0.00 H new ATOM 191 N TYR A 18 194.469 -6.558 1.319 1.00 0.00 N ATOM 192 CA TYR A 18 195.489 -7.258 0.544 1.00 0.00 C ATOM 193 C TYR A 18 195.226 -8.764 0.540 1.00 0.00 C ATOM 194 O TYR A 18 194.775 -9.321 1.541 1.00 0.00 O ATOM 195 CB TYR A 18 196.879 -6.972 1.121 1.00 0.00 C ATOM 196 CG TYR A 18 197.940 -6.745 0.068 1.00 0.00 C ATOM 197 CD1 TYR A 18 197.790 -5.756 -0.895 1.00 0.00 C ATOM 198 CD2 TYR A 18 199.092 -7.521 0.037 1.00 0.00 C ATOM 199 CE1 TYR A 18 198.759 -5.545 -1.860 1.00 0.00 C ATOM 200 CE2 TYR A 18 200.064 -7.318 -0.923 1.00 0.00 C ATOM 201 CZ TYR A 18 199.894 -6.329 -1.869 1.00 0.00 C ATOM 202 OH TYR A 18 200.860 -6.123 -2.827 1.00 0.00 O ATOM 0 H TYR A 18 194.763 -6.290 2.258 1.00 0.00 H new ATOM 0 HA TYR A 18 195.447 -6.896 -0.483 1.00 0.00 H new ATOM 0 HB2 TYR A 18 196.822 -6.092 1.762 1.00 0.00 H new ATOM 0 HB3 TYR A 18 197.180 -7.808 1.752 1.00 0.00 H new ATOM 0 HD1 TYR A 18 196.902 -5.141 -0.891 1.00 0.00 H new ATOM 0 HD2 TYR A 18 199.230 -8.296 0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 18 198.627 -4.771 -2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 18 200.953 -7.931 -0.933 1.00 0.00 H new ATOM 0 HH TYR A 18 201.595 -6.758 -2.693 1.00 0.00 H new ATOM 212 N PRO A 19 195.503 -9.452 -0.586 1.00 0.00 N ATOM 213 CA PRO A 19 196.038 -8.848 -1.801 1.00 0.00 C ATOM 214 C PRO A 19 194.942 -8.414 -2.768 1.00 0.00 C ATOM 215 O PRO A 19 195.219 -7.816 -3.808 1.00 0.00 O ATOM 216 CB PRO A 19 196.854 -9.989 -2.392 1.00 0.00 C ATOM 217 CG PRO A 19 196.125 -11.233 -1.993 1.00 0.00 C ATOM 218 CD PRO A 19 195.308 -10.900 -0.761 1.00 0.00 C ATOM 0 HA PRO A 19 196.606 -7.939 -1.605 1.00 0.00 H new ATOM 0 HB2 PRO A 19 196.925 -9.903 -3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 19 197.873 -9.987 -2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 19 195.479 -11.576 -2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 19 196.827 -12.039 -1.782 1.00 0.00 H new ATOM 0 HD2 PRO A 19 194.256 -11.147 -0.901 1.00 0.00 H new ATOM 0 HD3 PRO A 19 195.653 -11.457 0.110 1.00 0.00 H new ATOM 226 N ARG A 20 193.695 -8.717 -2.417 1.00 0.00 N ATOM 227 CA ARG A 20 192.561 -8.358 -3.247 1.00 0.00 C ATOM 228 C ARG A 20 191.257 -8.494 -2.469 1.00 0.00 C ATOM 229 O ARG A 20 190.624 -9.551 -2.475 1.00 0.00 O ATOM 230 CB ARG A 20 192.521 -9.233 -4.503 1.00 0.00 C ATOM 231 CG ARG A 20 191.548 -8.736 -5.560 1.00 0.00 C ATOM 232 CD ARG A 20 191.311 -9.785 -6.633 1.00 0.00 C ATOM 233 NE ARG A 20 192.169 -9.582 -7.798 1.00 0.00 N ATOM 234 CZ ARG A 20 192.295 -10.461 -8.790 1.00 0.00 C ATOM 235 NH1 ARG A 20 191.622 -11.604 -8.762 1.00 0.00 N ATOM 236 NH2 ARG A 20 193.097 -10.197 -9.812 1.00 0.00 N ATOM 0 H ARG A 20 193.449 -9.212 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 20 192.675 -7.317 -3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 20 193.521 -9.280 -4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 20 192.248 -10.249 -4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 20 190.600 -8.474 -5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 20 191.939 -7.827 -6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 20 191.493 -10.776 -6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 20 190.266 -9.756 -6.943 1.00 0.00 H new ATOM 0 HE ARG A 20 192.703 -8.715 -7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 20 191.004 -11.813 -7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 20 191.722 -12.274 -9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 20 193.618 -9.320 -9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 20 193.193 -10.871 -10.572 1.00 0.00 H new ATOM 250 N GLY A 21 190.862 -7.417 -1.799 1.00 0.00 N ATOM 251 CA GLY A 21 189.637 -7.434 -1.021 1.00 0.00 C ATOM 252 C GLY A 21 189.058 -6.048 -0.811 1.00 0.00 C ATOM 253 O GLY A 21 189.559 -5.067 -1.362 1.00 0.00 O ATOM 0 H GLY A 21 191.369 -6.532 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 21 188.900 -8.059 -1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 21 189.833 -7.892 -0.052 1.00 0.00 H new ATOM 257 N LEU A 22 188.000 -5.972 -0.014 1.00 0.00 N ATOM 258 CA LEU A 22 187.347 -4.700 0.274 1.00 0.00 C ATOM 259 C LEU A 22 186.547 -4.782 1.572 1.00 0.00 C ATOM 260 O LEU A 22 185.776 -5.719 1.777 1.00 0.00 O ATOM 261 CB LEU A 22 186.431 -4.304 -0.890 1.00 0.00 C ATOM 262 CG LEU A 22 185.417 -3.196 -0.586 1.00 0.00 C ATOM 263 CD1 LEU A 22 186.091 -2.028 0.118 1.00 0.00 C ATOM 264 CD2 LEU A 22 184.738 -2.733 -1.866 1.00 0.00 C ATOM 0 H LEU A 22 187.575 -6.777 0.446 1.00 0.00 H new ATOM 0 HA LEU A 22 188.116 -3.938 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 22 187.053 -3.984 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 22 185.887 -5.190 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 22 184.656 -3.600 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 22 185.353 -1.253 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 22 186.528 -2.372 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 22 186.875 -1.622 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 22 184.021 -1.946 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 22 185.488 -2.348 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 22 184.218 -3.573 -2.326 1.00 0.00 H new ATOM 276 N ARG A 23 186.730 -3.794 2.441 1.00 0.00 N ATOM 277 CA ARG A 23 186.018 -3.753 3.713 1.00 0.00 C ATOM 278 C ARG A 23 185.356 -2.392 3.910 1.00 0.00 C ATOM 279 O ARG A 23 186.038 -1.374 4.029 1.00 0.00 O ATOM 280 CB ARG A 23 186.969 -4.042 4.876 1.00 0.00 C ATOM 281 CG ARG A 23 186.262 -4.236 6.208 1.00 0.00 C ATOM 282 CD ARG A 23 187.098 -3.717 7.365 1.00 0.00 C ATOM 283 NE ARG A 23 186.329 -3.636 8.605 1.00 0.00 N ATOM 284 CZ ARG A 23 186.021 -4.690 9.357 1.00 0.00 C ATOM 285 NH1 ARG A 23 186.416 -5.907 9.000 1.00 0.00 N ATOM 286 NH2 ARG A 23 185.317 -4.529 10.469 1.00 0.00 N ATOM 0 H ARG A 23 187.365 -3.011 2.288 1.00 0.00 H new ATOM 0 HA ARG A 23 185.247 -4.523 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 23 187.547 -4.937 4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 23 187.678 -3.219 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 23 185.303 -3.718 6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 23 186.050 -5.295 6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 23 187.957 -4.372 7.514 1.00 0.00 H new ATOM 0 HD3 ARG A 23 187.488 -2.730 7.116 1.00 0.00 H new ATOM 0 HE ARG A 23 186.009 -2.717 8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 23 186.958 -6.037 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 23 186.177 -6.711 9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 23 185.011 -3.597 10.749 1.00 0.00 H new ATOM 0 HH22 ARG A 23 185.081 -5.337 11.045 1.00 0.00 H new ATOM 300 N VAL A 24 184.026 -2.378 3.938 1.00 0.00 N ATOM 301 CA VAL A 24 183.282 -1.137 4.112 1.00 0.00 C ATOM 302 C VAL A 24 182.356 -1.204 5.323 1.00 0.00 C ATOM 303 O VAL A 24 181.986 -2.286 5.778 1.00 0.00 O ATOM 304 CB VAL A 24 182.445 -0.811 2.862 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.804 0.561 2.987 1.00 0.00 C ATOM 306 CG2 VAL A 24 183.303 -0.896 1.609 1.00 0.00 C ATOM 0 H VAL A 24 183.444 -3.210 3.843 1.00 0.00 H new ATOM 0 HA VAL A 24 184.019 -0.350 4.271 1.00 0.00 H new ATOM 0 HB VAL A 24 181.647 -1.549 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 24 181.217 0.771 2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 24 181.153 0.580 3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 24 182.581 1.317 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 24 182.695 -0.663 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 24 184.124 -0.182 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 24 183.706 -1.904 1.512 1.00 0.00 H new ATOM 316 N SER A 25 181.979 -0.036 5.835 1.00 0.00 N ATOM 317 CA SER A 25 181.091 0.048 6.990 1.00 0.00 C ATOM 318 C SER A 25 180.250 1.321 6.938 1.00 0.00 C ATOM 319 O SER A 25 180.716 2.365 6.481 1.00 0.00 O ATOM 320 CB SER A 25 181.897 0.007 8.289 1.00 0.00 C ATOM 321 OG SER A 25 183.181 -0.556 8.075 1.00 0.00 O ATOM 0 H SER A 25 182.276 0.868 5.467 1.00 0.00 H new ATOM 0 HA SER A 25 180.421 -0.811 6.963 1.00 0.00 H new ATOM 0 HB2 SER A 25 182.001 1.016 8.688 1.00 0.00 H new ATOM 0 HB3 SER A 25 181.360 -0.578 9.036 1.00 0.00 H new ATOM 0 HG SER A 25 183.677 -0.570 8.920 1.00 0.00 H new ATOM 327 N ILE A 26 179.011 1.226 7.407 1.00 0.00 N ATOM 328 CA ILE A 26 178.101 2.371 7.408 1.00 0.00 C ATOM 329 C ILE A 26 177.309 2.444 8.715 1.00 0.00 C ATOM 330 O ILE A 26 176.668 1.471 9.110 1.00 0.00 O ATOM 331 CB ILE A 26 177.103 2.290 6.239 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.376 0.943 6.258 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.815 2.496 4.913 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.877 1.068 6.426 1.00 0.00 C ATOM 0 H ILE A 26 178.612 0.370 7.792 1.00 0.00 H new ATOM 0 HA ILE A 26 178.717 3.264 7.301 1.00 0.00 H new ATOM 0 HB ILE A 26 176.366 3.084 6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.587 0.412 5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.775 0.335 7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 26 177.093 2.435 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 26 178.290 3.477 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.573 1.724 4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.427 0.075 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.657 1.570 7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.466 1.649 5.600 1.00 0.00 H new ATOM 346 N PRO A 27 177.329 3.604 9.400 1.00 0.00 N ATOM 347 CA PRO A 27 176.593 3.782 10.657 1.00 0.00 C ATOM 348 C PRO A 27 175.092 3.588 10.464 1.00 0.00 C ATOM 349 O PRO A 27 174.408 4.453 9.920 1.00 0.00 O ATOM 350 CB PRO A 27 176.904 5.225 11.070 1.00 0.00 C ATOM 351 CG PRO A 27 177.398 5.894 9.831 1.00 0.00 C ATOM 352 CD PRO A 27 178.053 4.823 9.007 1.00 0.00 C ATOM 0 HA PRO A 27 176.888 3.051 11.410 1.00 0.00 H new ATOM 0 HB2 PRO A 27 176.015 5.723 11.458 1.00 0.00 H new ATOM 0 HB3 PRO A 27 177.656 5.255 11.859 1.00 0.00 H new ATOM 0 HG2 PRO A 27 176.576 6.357 9.285 1.00 0.00 H new ATOM 0 HG3 PRO A 27 178.106 6.686 10.073 1.00 0.00 H new ATOM 0 HD2 PRO A 27 177.957 5.021 7.940 1.00 0.00 H new ATOM 0 HD3 PRO A 27 179.119 4.745 9.222 1.00 0.00 H new ATOM 360 N ASP A 28 174.591 2.439 10.902 1.00 0.00 N ATOM 361 CA ASP A 28 173.176 2.116 10.766 1.00 0.00 C ATOM 362 C ASP A 28 172.310 3.029 11.625 1.00 0.00 C ATOM 363 O ASP A 28 172.771 3.612 12.604 1.00 0.00 O ATOM 364 CB ASP A 28 172.927 0.653 11.151 1.00 0.00 C ATOM 365 CG ASP A 28 171.454 0.284 11.140 1.00 0.00 C ATOM 366 OD1 ASP A 28 170.728 0.762 10.243 1.00 0.00 O ATOM 367 OD2 ASP A 28 171.028 -0.483 12.028 1.00 0.00 O ATOM 0 H ASP A 28 175.146 1.713 11.356 1.00 0.00 H new ATOM 0 HA ASP A 28 172.900 2.269 9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.465 0.004 10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.336 0.469 12.145 1.00 0.00 H new ATOM 372 N ASP A 29 171.041 3.129 11.245 1.00 0.00 N ATOM 373 CA ASP A 29 170.079 3.946 11.966 1.00 0.00 C ATOM 374 C ASP A 29 168.723 3.252 11.977 1.00 0.00 C ATOM 375 O ASP A 29 167.688 3.871 11.730 1.00 0.00 O ATOM 376 CB ASP A 29 169.961 5.330 11.324 1.00 0.00 C ATOM 377 CG ASP A 29 169.852 6.438 12.354 1.00 0.00 C ATOM 378 OD1 ASP A 29 170.906 6.923 12.817 1.00 0.00 O ATOM 379 OD2 ASP A 29 168.714 6.820 12.697 1.00 0.00 O ATOM 0 H ASP A 29 170.654 2.648 10.433 1.00 0.00 H new ATOM 0 HA ASP A 29 170.424 4.074 12.992 1.00 0.00 H new ATOM 0 HB2 ASP A 29 170.831 5.510 10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.085 5.353 10.675 1.00 0.00 H new ATOM 384 N GLY A 30 168.747 1.953 12.260 1.00 0.00 N ATOM 385 CA GLY A 30 167.533 1.175 12.296 1.00 0.00 C ATOM 386 C GLY A 30 166.944 0.960 10.918 1.00 0.00 C ATOM 387 O GLY A 30 165.740 1.123 10.718 1.00 0.00 O ATOM 0 H GLY A 30 169.596 1.427 12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 30 167.738 0.208 12.755 1.00 0.00 H new ATOM 0 HA3 GLY A 30 166.800 1.679 12.927 1.00 0.00 H new ATOM 391 N PHE A 31 167.793 0.589 9.965 1.00 0.00 N ATOM 392 CA PHE A 31 167.346 0.350 8.598 1.00 0.00 C ATOM 393 C PHE A 31 166.904 -1.091 8.409 1.00 0.00 C ATOM 394 O PHE A 31 166.828 -1.871 9.359 1.00 0.00 O ATOM 395 CB PHE A 31 168.459 0.659 7.594 1.00 0.00 C ATOM 396 CG PHE A 31 169.194 1.938 7.873 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.504 3.095 8.194 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.577 1.981 7.814 1.00 0.00 C ATOM 399 CE1 PHE A 31 169.181 4.272 8.452 1.00 0.00 C ATOM 400 CE2 PHE A 31 171.260 3.153 8.072 1.00 0.00 C ATOM 401 CZ PHE A 31 170.561 4.300 8.390 1.00 0.00 C ATOM 0 H PHE A 31 168.792 0.448 10.114 1.00 0.00 H new ATOM 0 HA PHE A 31 166.500 1.014 8.419 1.00 0.00 H new ATOM 0 HB2 PHE A 31 169.172 -0.165 7.593 1.00 0.00 H new ATOM 0 HB3 PHE A 31 168.029 0.710 6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.425 3.077 8.243 1.00 0.00 H new ATOM 0 HD2 PHE A 31 171.128 1.087 7.563 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.632 5.168 8.702 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.339 3.172 8.025 1.00 0.00 H new ATOM 0 HZ PHE A 31 171.092 5.219 8.590 1.00 0.00 H new ATOM 411 N SER A 32 166.629 -1.427 7.161 1.00 0.00 N ATOM 412 CA SER A 32 166.204 -2.763 6.790 1.00 0.00 C ATOM 413 C SER A 32 166.980 -3.254 5.575 1.00 0.00 C ATOM 414 O SER A 32 167.174 -4.458 5.405 1.00 0.00 O ATOM 415 CB SER A 32 164.702 -2.789 6.504 1.00 0.00 C ATOM 416 OG SER A 32 163.953 -2.811 7.707 1.00 0.00 O ATOM 0 H SER A 32 166.695 -0.779 6.376 1.00 0.00 H new ATOM 0 HA SER A 32 166.410 -3.431 7.627 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.426 -1.914 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.458 -3.666 5.904 1.00 0.00 H new ATOM 0 HG SER A 32 162.996 -2.826 7.496 1.00 0.00 H new ATOM 422 N LEU A 33 167.441 -2.327 4.729 1.00 0.00 N ATOM 423 CA LEU A 33 168.204 -2.727 3.547 1.00 0.00 C ATOM 424 C LEU A 33 169.351 -1.774 3.257 1.00 0.00 C ATOM 425 O LEU A 33 169.165 -0.564 3.204 1.00 0.00 O ATOM 426 CB LEU A 33 167.322 -2.810 2.304 1.00 0.00 C ATOM 427 CG LEU A 33 167.872 -3.720 1.205 1.00 0.00 C ATOM 428 CD1 LEU A 33 167.815 -5.178 1.632 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.119 -3.511 -0.099 1.00 0.00 C ATOM 0 H LEU A 33 167.304 -1.322 4.837 1.00 0.00 H new ATOM 0 HA LEU A 33 168.606 -3.714 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.335 -3.168 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.191 -1.807 1.898 1.00 0.00 H new ATOM 0 HG LEU A 33 168.916 -3.455 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 33 168.211 -5.806 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 33 168.412 -5.317 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 33 166.781 -5.458 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.529 -4.169 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.064 -3.740 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.224 -2.474 -0.418 1.00 0.00 H new ATOM 441 N PHE A 34 170.530 -2.344 3.043 1.00 0.00 N ATOM 442 CA PHE A 34 171.719 -1.570 2.724 1.00 0.00 C ATOM 443 C PHE A 34 172.311 -2.028 1.391 1.00 0.00 C ATOM 444 O PHE A 34 172.987 -3.056 1.324 1.00 0.00 O ATOM 445 CB PHE A 34 172.753 -1.722 3.834 1.00 0.00 C ATOM 446 CG PHE A 34 174.078 -1.088 3.517 1.00 0.00 C ATOM 447 CD1 PHE A 34 174.143 0.201 3.014 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.260 -1.787 3.714 1.00 0.00 C ATOM 449 CE1 PHE A 34 175.359 0.782 2.713 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.479 -1.210 3.417 1.00 0.00 C ATOM 451 CZ PHE A 34 176.529 0.075 2.915 1.00 0.00 C ATOM 0 H PHE A 34 170.687 -3.351 3.086 1.00 0.00 H new ATOM 0 HA PHE A 34 171.440 -0.520 2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.358 -1.280 4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 34 172.906 -2.783 4.033 1.00 0.00 H new ATOM 0 HD1 PHE A 34 173.232 0.758 2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.226 -2.794 4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 34 175.396 1.787 2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.392 -1.764 3.577 1.00 0.00 H new ATOM 0 HZ PHE A 34 177.481 0.527 2.680 1.00 0.00 H new ATOM 461 N ALA A 35 172.057 -1.262 0.336 1.00 0.00 N ATOM 462 CA ALA A 35 172.566 -1.591 -0.989 1.00 0.00 C ATOM 463 C ALA A 35 173.724 -0.677 -1.367 1.00 0.00 C ATOM 464 O ALA A 35 173.578 0.545 -1.405 1.00 0.00 O ATOM 465 CB ALA A 35 171.453 -1.494 -2.022 1.00 0.00 C ATOM 0 H ALA A 35 171.501 -0.408 0.373 1.00 0.00 H new ATOM 0 HA ALA A 35 172.935 -2.616 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 35 171.848 -1.742 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.656 -2.191 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 35 171.057 -0.479 -2.036 1.00 0.00 H new ATOM 471 N PHE A 36 174.876 -1.275 -1.640 1.00 0.00 N ATOM 472 CA PHE A 36 176.062 -0.514 -2.007 1.00 0.00 C ATOM 473 C PHE A 36 176.369 -0.661 -3.492 1.00 0.00 C ATOM 474 O PHE A 36 176.389 -1.769 -4.023 1.00 0.00 O ATOM 475 CB PHE A 36 177.260 -0.979 -1.181 1.00 0.00 C ATOM 476 CG PHE A 36 178.515 -0.194 -1.441 1.00 0.00 C ATOM 477 CD1 PHE A 36 179.224 -0.368 -2.618 1.00 0.00 C ATOM 478 CD2 PHE A 36 178.986 0.715 -0.507 1.00 0.00 C ATOM 479 CE1 PHE A 36 180.379 0.350 -2.860 1.00 0.00 C ATOM 480 CE2 PHE A 36 180.142 1.436 -0.743 1.00 0.00 C ATOM 481 CZ PHE A 36 180.839 1.252 -1.922 1.00 0.00 C ATOM 0 H PHE A 36 175.014 -2.285 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 36 175.867 0.538 -1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 36 177.010 -0.907 -0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.450 -2.031 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 36 178.870 -1.073 -3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 36 178.444 0.862 0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 36 180.922 0.206 -3.783 1.00 0.00 H new ATOM 0 HE2 PHE A 36 180.499 2.141 -0.007 1.00 0.00 H new ATOM 0 HZ PHE A 36 181.743 1.813 -2.109 1.00 0.00 H new ATOM 491 N HIS A 37 176.608 0.469 -4.150 1.00 0.00 N ATOM 492 CA HIS A 37 176.921 0.497 -5.565 1.00 0.00 C ATOM 493 C HIS A 37 178.197 1.300 -5.775 1.00 0.00 C ATOM 494 O HIS A 37 178.259 2.458 -5.373 1.00 0.00 O ATOM 495 CB HIS A 37 175.770 1.146 -6.315 1.00 0.00 C ATOM 496 CG HIS A 37 175.122 0.240 -7.311 1.00 0.00 C ATOM 497 ND1 HIS A 37 173.775 0.280 -7.600 1.00 0.00 N ATOM 498 CD2 HIS A 37 175.637 -0.757 -8.068 1.00 0.00 C ATOM 499 CE1 HIS A 37 173.489 -0.653 -8.488 1.00 0.00 C ATOM 500 NE2 HIS A 37 174.602 -1.297 -8.789 1.00 0.00 N ATOM 0 H HIS A 37 176.589 1.390 -3.712 1.00 0.00 H new ATOM 0 HA HIS A 37 177.068 -0.517 -5.938 1.00 0.00 H new ATOM 0 HB2 HIS A 37 175.021 1.479 -5.597 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.136 2.035 -6.829 1.00 0.00 H new ATOM 0 HD1 HIS A 37 173.104 0.930 -7.191 1.00 0.00 H new ATOM 0 HD2 HIS A 37 176.670 -1.069 -8.099 1.00 0.00 H new ATOM 0 HE1 HIS A 37 172.511 -0.856 -8.899 1.00 0.00 H new ATOM 509 N GLY A 38 179.223 0.703 -6.382 1.00 0.00 N ATOM 510 CA GLY A 38 180.459 1.447 -6.567 1.00 0.00 C ATOM 511 C GLY A 38 181.296 0.987 -7.738 1.00 0.00 C ATOM 512 O GLY A 38 181.319 -0.196 -8.068 1.00 0.00 O ATOM 0 H GLY A 38 179.223 -0.253 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.217 2.501 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.055 1.370 -5.658 1.00 0.00 H new ATOM 516 N LYS A 39 182.000 1.933 -8.357 1.00 0.00 N ATOM 517 CA LYS A 39 182.862 1.635 -9.492 1.00 0.00 C ATOM 518 C LYS A 39 184.310 1.997 -9.171 1.00 0.00 C ATOM 519 O LYS A 39 184.577 2.972 -8.466 1.00 0.00 O ATOM 520 CB LYS A 39 182.390 2.400 -10.732 1.00 0.00 C ATOM 521 CG LYS A 39 182.307 1.538 -11.980 1.00 0.00 C ATOM 522 CD LYS A 39 183.645 1.462 -12.695 1.00 0.00 C ATOM 523 CE LYS A 39 183.517 0.780 -14.047 1.00 0.00 C ATOM 524 NZ LYS A 39 184.846 0.448 -14.630 1.00 0.00 N ATOM 0 H LYS A 39 181.988 2.917 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 39 182.807 0.566 -9.697 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.409 2.831 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 39 183.071 3.230 -10.918 1.00 0.00 H new ATOM 0 HG2 LYS A 39 181.981 0.534 -11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 39 181.555 1.946 -12.656 1.00 0.00 H new ATOM 0 HD2 LYS A 39 184.044 2.467 -12.830 1.00 0.00 H new ATOM 0 HD3 LYS A 39 184.358 0.916 -12.077 1.00 0.00 H new ATOM 0 HE2 LYS A 39 182.930 -0.132 -13.939 1.00 0.00 H new ATOM 0 HE3 LYS A 39 182.973 1.431 -14.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 184.715 -0.016 -15.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 185.397 1.321 -14.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 185.356 -0.193 -13.989 1.00 0.00 H new ATOM 538 N LEU A 40 185.238 1.203 -9.695 1.00 0.00 N ATOM 539 CA LEU A 40 186.660 1.435 -9.470 1.00 0.00 C ATOM 540 C LEU A 40 187.254 2.260 -10.605 1.00 0.00 C ATOM 541 O LEU A 40 187.259 1.833 -11.759 1.00 0.00 O ATOM 542 CB LEU A 40 187.398 0.101 -9.344 1.00 0.00 C ATOM 543 CG LEU A 40 188.843 0.199 -8.850 1.00 0.00 C ATOM 544 CD1 LEU A 40 188.882 0.322 -7.335 1.00 0.00 C ATOM 545 CD2 LEU A 40 189.643 -1.011 -9.308 1.00 0.00 C ATOM 0 H LEU A 40 185.031 0.393 -10.279 1.00 0.00 H new ATOM 0 HA LEU A 40 186.777 1.992 -8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 40 186.841 -0.541 -8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 40 187.396 -0.390 -10.317 1.00 0.00 H new ATOM 0 HG LEU A 40 189.294 1.094 -9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 40 189.918 0.391 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 40 188.342 1.218 -7.029 1.00 0.00 H new ATOM 0 HD13 LEU A 40 188.414 -0.554 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 40 190.669 -0.926 -8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 40 189.192 -1.919 -8.907 1.00 0.00 H new ATOM 0 HD23 LEU A 40 189.643 -1.056 -10.397 1.00 0.00 H new ATOM 557 N ASN A 41 187.750 3.449 -10.272 1.00 0.00 N ATOM 558 CA ASN A 41 188.341 4.338 -11.267 1.00 0.00 C ATOM 559 C ASN A 41 187.275 4.832 -12.243 1.00 0.00 C ATOM 560 O ASN A 41 187.289 4.490 -13.426 1.00 0.00 O ATOM 561 CB ASN A 41 189.460 3.624 -12.029 1.00 0.00 C ATOM 562 CG ASN A 41 190.488 4.589 -12.587 1.00 0.00 C ATOM 563 OD1 ASN A 41 190.690 5.677 -12.049 1.00 0.00 O ATOM 564 ND2 ASN A 41 191.143 4.192 -13.672 1.00 0.00 N ATOM 0 H ASN A 41 187.754 3.818 -9.321 1.00 0.00 H new ATOM 0 HA ASN A 41 188.766 5.197 -10.747 1.00 0.00 H new ATOM 0 HB2 ASN A 41 189.954 2.916 -11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 41 189.028 3.046 -12.846 1.00 0.00 H new ATOM 0 HD21 ASN A 41 191.847 4.798 -14.093 1.00 0.00 H new ATOM 0 HD22 ASN A 41 190.942 3.281 -14.084 1.00 0.00 H new ATOM 571 N GLU A 42 186.353 5.642 -11.733 1.00 0.00 N ATOM 572 CA GLU A 42 185.275 6.194 -12.532 1.00 0.00 C ATOM 573 C GLU A 42 184.388 7.058 -11.651 1.00 0.00 C ATOM 574 O GLU A 42 183.706 6.559 -10.759 1.00 0.00 O ATOM 575 CB GLU A 42 184.448 5.084 -13.179 1.00 0.00 C ATOM 576 CG GLU A 42 183.312 5.611 -14.040 1.00 0.00 C ATOM 577 CD GLU A 42 182.516 4.502 -14.700 1.00 0.00 C ATOM 578 OE1 GLU A 42 183.138 3.605 -15.308 1.00 0.00 O ATOM 579 OE2 GLU A 42 181.270 4.531 -14.611 1.00 0.00 O ATOM 0 H GLU A 42 186.336 5.931 -10.755 1.00 0.00 H new ATOM 0 HA GLU A 42 185.705 6.801 -13.329 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.101 4.462 -13.791 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.037 4.443 -12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 42 182.645 6.215 -13.425 1.00 0.00 H new ATOM 0 HG3 GLU A 42 183.719 6.268 -14.809 1.00 0.00 H new ATOM 586 N GLU A 43 184.417 8.355 -11.896 1.00 0.00 N ATOM 587 CA GLU A 43 183.631 9.314 -11.113 1.00 0.00 C ATOM 588 C GLU A 43 182.140 9.184 -11.368 1.00 0.00 C ATOM 589 O GLU A 43 181.388 10.154 -11.269 1.00 0.00 O ATOM 590 CB GLU A 43 184.097 10.732 -11.398 1.00 0.00 C ATOM 591 CG GLU A 43 185.602 10.846 -11.413 1.00 0.00 C ATOM 592 CD GLU A 43 186.089 12.211 -11.854 1.00 0.00 C ATOM 593 OE1 GLU A 43 185.785 13.204 -11.158 1.00 0.00 O ATOM 594 OE2 GLU A 43 186.775 12.290 -12.895 1.00 0.00 O ATOM 0 H GLU A 43 184.978 8.779 -12.635 1.00 0.00 H new ATOM 0 HA GLU A 43 183.796 9.085 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 43 183.700 11.056 -12.360 1.00 0.00 H new ATOM 0 HB3 GLU A 43 183.691 11.405 -10.643 1.00 0.00 H new ATOM 0 HG2 GLU A 43 185.987 10.634 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 43 186.011 10.087 -12.080 1.00 0.00 H new ATOM 601 N MET A 44 181.734 7.971 -11.666 1.00 0.00 N ATOM 602 CA MET A 44 180.338 7.641 -11.919 1.00 0.00 C ATOM 603 C MET A 44 179.713 8.549 -12.972 1.00 0.00 C ATOM 604 O MET A 44 180.086 9.709 -13.126 1.00 0.00 O ATOM 605 CB MET A 44 179.535 7.714 -10.621 1.00 0.00 C ATOM 606 CG MET A 44 179.598 6.434 -9.804 1.00 0.00 C ATOM 607 SD MET A 44 177.990 5.941 -9.153 1.00 0.00 S ATOM 608 CE MET A 44 178.131 4.154 -9.215 1.00 0.00 C ATOM 0 H MET A 44 182.365 7.173 -11.742 1.00 0.00 H new ATOM 0 HA MET A 44 180.311 6.623 -12.308 1.00 0.00 H new ATOM 0 HB2 MET A 44 179.908 8.541 -10.017 1.00 0.00 H new ATOM 0 HB3 MET A 44 178.494 7.935 -10.857 1.00 0.00 H new ATOM 0 HG2 MET A 44 179.995 5.631 -10.425 1.00 0.00 H new ATOM 0 HG3 MET A 44 180.294 6.571 -8.976 1.00 0.00 H new ATOM 0 HE1 MET A 44 177.174 3.724 -9.511 1.00 0.00 H new ATOM 0 HE2 MET A 44 178.895 3.874 -9.941 1.00 0.00 H new ATOM 0 HE3 MET A 44 178.410 3.777 -8.231 1.00 0.00 H new ATOM 618 N ASP A 45 178.753 7.994 -13.693 1.00 0.00 N ATOM 619 CA ASP A 45 178.052 8.717 -14.737 1.00 0.00 C ATOM 620 C ASP A 45 176.580 8.326 -14.733 1.00 0.00 C ATOM 621 O ASP A 45 176.066 7.782 -15.710 1.00 0.00 O ATOM 622 CB ASP A 45 178.687 8.403 -16.086 1.00 0.00 C ATOM 623 CG ASP A 45 178.135 9.265 -17.205 1.00 0.00 C ATOM 624 OD1 ASP A 45 178.538 10.443 -17.301 1.00 0.00 O ATOM 625 OD2 ASP A 45 177.298 8.761 -17.984 1.00 0.00 O ATOM 0 H ASP A 45 178.439 7.031 -13.570 1.00 0.00 H new ATOM 0 HA ASP A 45 178.126 9.789 -14.555 1.00 0.00 H new ATOM 0 HB2 ASP A 45 179.765 8.548 -16.019 1.00 0.00 H new ATOM 0 HB3 ASP A 45 178.521 7.353 -16.326 1.00 0.00 H new ATOM 630 N GLY A 46 175.915 8.587 -13.612 1.00 0.00 N ATOM 631 CA GLY A 46 174.530 8.241 -13.476 1.00 0.00 C ATOM 632 C GLY A 46 174.360 6.934 -12.731 1.00 0.00 C ATOM 633 O GLY A 46 174.973 5.929 -13.092 1.00 0.00 O ATOM 0 H GLY A 46 176.324 9.037 -12.793 1.00 0.00 H new ATOM 0 HA2 GLY A 46 174.005 9.035 -12.946 1.00 0.00 H new ATOM 0 HA3 GLY A 46 174.074 8.161 -14.463 1.00 0.00 H new ATOM 637 N LEU A 47 173.542 6.949 -11.682 1.00 0.00 N ATOM 638 CA LEU A 47 173.300 5.765 -10.870 1.00 0.00 C ATOM 639 C LEU A 47 173.189 4.513 -11.732 1.00 0.00 C ATOM 640 O LEU A 47 172.132 4.221 -12.294 1.00 0.00 O ATOM 641 CB LEU A 47 172.030 5.960 -10.047 1.00 0.00 C ATOM 642 CG LEU A 47 172.022 7.218 -9.176 1.00 0.00 C ATOM 643 CD1 LEU A 47 170.617 7.787 -9.071 1.00 0.00 C ATOM 644 CD2 LEU A 47 172.582 6.909 -7.797 1.00 0.00 C ATOM 0 H LEU A 47 173.032 7.777 -11.374 1.00 0.00 H new ATOM 0 HA LEU A 47 174.148 5.628 -10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 47 171.176 5.997 -10.724 1.00 0.00 H new ATOM 0 HB3 LEU A 47 171.891 5.089 -9.406 1.00 0.00 H new ATOM 0 HG LEU A 47 172.658 7.969 -9.645 1.00 0.00 H new ATOM 0 HD11 LEU A 47 170.632 8.681 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 47 170.253 8.044 -10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 47 169.956 7.044 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 47 172.570 7.813 -7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 47 171.972 6.142 -7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 47 173.607 6.549 -7.893 1.00 0.00 H new ATOM 656 N GLU A 48 174.295 3.784 -11.840 1.00 0.00 N ATOM 657 CA GLU A 48 174.335 2.571 -12.643 1.00 0.00 C ATOM 658 C GLU A 48 174.740 1.368 -11.802 1.00 0.00 C ATOM 659 O GLU A 48 174.945 1.478 -10.593 1.00 0.00 O ATOM 660 CB GLU A 48 175.308 2.742 -13.811 1.00 0.00 C ATOM 661 CG GLU A 48 174.753 3.584 -14.947 1.00 0.00 C ATOM 662 CD GLU A 48 173.852 2.790 -15.874 1.00 0.00 C ATOM 663 OE1 GLU A 48 174.382 2.108 -16.775 1.00 0.00 O ATOM 664 OE2 GLU A 48 172.617 2.850 -15.696 1.00 0.00 O ATOM 0 H GLU A 48 175.176 4.014 -11.380 1.00 0.00 H new ATOM 0 HA GLU A 48 173.333 2.393 -13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 48 176.226 3.202 -13.444 1.00 0.00 H new ATOM 0 HB3 GLU A 48 175.576 1.758 -14.196 1.00 0.00 H new ATOM 0 HG2 GLU A 48 174.194 4.423 -14.533 1.00 0.00 H new ATOM 0 HG3 GLU A 48 175.579 4.004 -15.521 1.00 0.00 H new ATOM 671 N ALA A 49 174.843 0.215 -12.453 1.00 0.00 N ATOM 672 CA ALA A 49 175.210 -1.016 -11.778 1.00 0.00 C ATOM 673 C ALA A 49 176.609 -0.942 -11.171 1.00 0.00 C ATOM 674 O ALA A 49 176.949 -1.732 -10.290 1.00 0.00 O ATOM 675 CB ALA A 49 175.116 -2.189 -12.743 1.00 0.00 C ATOM 0 H ALA A 49 174.676 0.111 -13.454 1.00 0.00 H new ATOM 0 HA ALA A 49 174.507 -1.163 -10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 49 175.393 -3.108 -12.227 1.00 0.00 H new ATOM 0 HB2 ALA A 49 174.094 -2.275 -13.113 1.00 0.00 H new ATOM 0 HB3 ALA A 49 175.793 -2.025 -13.582 1.00 0.00 H new ATOM 681 N GLY A 50 177.420 0.003 -11.647 1.00 0.00 N ATOM 682 CA GLY A 50 178.774 0.150 -11.142 1.00 0.00 C ATOM 683 C GLY A 50 179.491 -1.180 -11.015 1.00 0.00 C ATOM 684 O GLY A 50 179.407 -2.027 -11.905 1.00 0.00 O ATOM 0 H GLY A 50 177.161 0.669 -12.374 1.00 0.00 H new ATOM 0 HA2 GLY A 50 179.339 0.802 -11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 50 178.745 0.638 -10.168 1.00 0.00 H new ATOM 688 N HIS A 51 180.180 -1.372 -9.899 1.00 0.00 N ATOM 689 CA HIS A 51 180.894 -2.615 -9.645 1.00 0.00 C ATOM 690 C HIS A 51 180.340 -3.285 -8.399 1.00 0.00 C ATOM 691 O HIS A 51 179.567 -4.238 -8.487 1.00 0.00 O ATOM 692 CB HIS A 51 182.397 -2.362 -9.496 1.00 0.00 C ATOM 693 CG HIS A 51 183.207 -2.894 -10.638 1.00 0.00 C ATOM 694 ND1 HIS A 51 184.171 -3.869 -10.487 1.00 0.00 N ATOM 695 CD2 HIS A 51 183.193 -2.582 -11.955 1.00 0.00 C ATOM 696 CE1 HIS A 51 184.716 -4.133 -11.661 1.00 0.00 C ATOM 697 NE2 HIS A 51 184.140 -3.366 -12.568 1.00 0.00 N ATOM 0 H HIS A 51 180.260 -0.681 -9.153 1.00 0.00 H new ATOM 0 HA HIS A 51 180.749 -3.278 -10.498 1.00 0.00 H new ATOM 0 HB2 HIS A 51 182.570 -1.290 -9.406 1.00 0.00 H new ATOM 0 HB3 HIS A 51 182.745 -2.819 -8.570 1.00 0.00 H new ATOM 0 HD2 HIS A 51 182.556 -1.853 -12.434 1.00 0.00 H new ATOM 0 HE1 HIS A 51 185.499 -4.853 -11.847 1.00 0.00 H new ATOM 0 HE2 HIS A 51 184.362 -3.357 -13.563 1.00 0.00 H new ATOM 706 N TRP A 52 180.716 -2.767 -7.238 1.00 0.00 N ATOM 707 CA TRP A 52 180.229 -3.307 -5.982 1.00 0.00 C ATOM 708 C TRP A 52 178.741 -3.035 -5.862 1.00 0.00 C ATOM 709 O TRP A 52 178.333 -2.016 -5.309 1.00 0.00 O ATOM 710 CB TRP A 52 180.981 -2.685 -4.808 1.00 0.00 C ATOM 711 CG TRP A 52 182.438 -3.011 -4.824 1.00 0.00 C ATOM 712 CD1 TRP A 52 183.006 -4.214 -4.523 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.511 -2.131 -5.171 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.368 -4.137 -4.659 1.00 0.00 N ATOM 715 CE2 TRP A 52 184.704 -2.867 -5.054 1.00 0.00 C ATOM 716 CE3 TRP A 52 183.581 -0.793 -5.566 1.00 0.00 C ATOM 717 CZ2 TRP A 52 185.951 -2.309 -5.322 1.00 0.00 C ATOM 718 CZ3 TRP A 52 184.820 -0.239 -5.831 1.00 0.00 C ATOM 719 CH2 TRP A 52 185.990 -0.997 -5.708 1.00 0.00 C ATOM 0 H TRP A 52 181.354 -1.977 -7.142 1.00 0.00 H new ATOM 0 HA TRP A 52 180.400 -4.383 -5.963 1.00 0.00 H new ATOM 0 HB2 TRP A 52 180.854 -1.603 -4.832 1.00 0.00 H new ATOM 0 HB3 TRP A 52 180.544 -3.037 -3.874 1.00 0.00 H new ATOM 0 HD1 TRP A 52 182.463 -5.097 -4.222 1.00 0.00 H new ATOM 0 HE1 TRP A 52 185.025 -4.900 -4.493 1.00 0.00 H new ATOM 0 HE3 TRP A 52 182.683 -0.201 -5.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 186.856 -2.891 -5.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 184.886 0.794 -6.138 1.00 0.00 H new ATOM 0 HH2 TRP A 52 186.943 -0.537 -5.922 1.00 0.00 H new ATOM 730 N ALA A 53 177.942 -3.943 -6.415 1.00 0.00 N ATOM 731 CA ALA A 53 176.487 -3.816 -6.401 1.00 0.00 C ATOM 732 C ALA A 53 175.833 -4.977 -5.660 1.00 0.00 C ATOM 733 O ALA A 53 175.477 -5.984 -6.273 1.00 0.00 O ATOM 734 CB ALA A 53 175.956 -3.734 -7.823 1.00 0.00 C ATOM 0 H ALA A 53 178.282 -4.783 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 53 176.235 -2.898 -5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.870 -3.640 -7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.386 -2.866 -8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 53 176.231 -4.638 -8.367 1.00 0.00 H new ATOM 740 N ARG A 54 175.679 -4.848 -4.348 1.00 0.00 N ATOM 741 CA ARG A 54 175.074 -5.911 -3.560 1.00 0.00 C ATOM 742 C ARG A 54 174.185 -5.358 -2.446 1.00 0.00 C ATOM 743 O ARG A 54 174.612 -4.520 -1.654 1.00 0.00 O ATOM 744 CB ARG A 54 176.173 -6.792 -2.980 1.00 0.00 C ATOM 745 CG ARG A 54 175.656 -8.029 -2.263 1.00 0.00 C ATOM 746 CD ARG A 54 176.344 -8.226 -0.921 1.00 0.00 C ATOM 747 NE ARG A 54 175.908 -9.453 -0.257 1.00 0.00 N ATOM 748 CZ ARG A 54 176.069 -9.688 1.044 1.00 0.00 C ATOM 749 NH1 ARG A 54 176.648 -8.782 1.823 1.00 0.00 N ATOM 750 NH2 ARG A 54 175.646 -10.831 1.568 1.00 0.00 N ATOM 0 H ARG A 54 175.962 -4.027 -3.813 1.00 0.00 H new ATOM 0 HA ARG A 54 174.434 -6.503 -4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 54 176.839 -7.102 -3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 54 176.768 -6.202 -2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 54 174.580 -7.940 -2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 54 175.818 -8.907 -2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 54 177.424 -8.257 -1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 54 176.135 -7.372 -0.277 1.00 0.00 H new ATOM 0 HE ARG A 54 175.454 -10.170 -0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 54 176.972 -7.900 1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 54 176.768 -8.968 2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 54 175.198 -11.529 0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 54 175.769 -11.012 2.564 1.00 0.00 H new ATOM 764 N ASP A 55 172.944 -5.841 -2.399 1.00 0.00 N ATOM 765 CA ASP A 55 171.979 -5.413 -1.395 1.00 0.00 C ATOM 766 C ASP A 55 172.082 -6.269 -0.136 1.00 0.00 C ATOM 767 O ASP A 55 172.176 -7.493 -0.214 1.00 0.00 O ATOM 768 CB ASP A 55 170.563 -5.495 -1.964 1.00 0.00 C ATOM 769 CG ASP A 55 170.287 -6.817 -2.654 1.00 0.00 C ATOM 770 OD1 ASP A 55 170.189 -7.844 -1.950 1.00 0.00 O ATOM 771 OD2 ASP A 55 170.168 -6.823 -3.896 1.00 0.00 O ATOM 0 H ASP A 55 172.584 -6.536 -3.053 1.00 0.00 H new ATOM 0 HA ASP A 55 172.203 -4.381 -1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 55 169.843 -5.353 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.413 -4.681 -2.673 1.00 0.00 H new ATOM 776 N ILE A 56 172.059 -5.616 1.023 1.00 0.00 N ATOM 777 CA ILE A 56 172.145 -6.319 2.297 1.00 0.00 C ATOM 778 C ILE A 56 170.925 -6.023 3.162 1.00 0.00 C ATOM 779 O ILE A 56 170.321 -4.956 3.050 1.00 0.00 O ATOM 780 CB ILE A 56 173.421 -5.928 3.068 1.00 0.00 C ATOM 781 CG1 ILE A 56 174.644 -5.993 2.147 1.00 0.00 C ATOM 782 CG2 ILE A 56 173.611 -6.834 4.277 1.00 0.00 C ATOM 783 CD1 ILE A 56 175.376 -4.674 2.023 1.00 0.00 C ATOM 0 H ILE A 56 171.982 -4.602 1.105 1.00 0.00 H new ATOM 0 HA ILE A 56 172.181 -7.386 2.075 1.00 0.00 H new ATOM 0 HB ILE A 56 173.312 -4.903 3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 56 175.333 -6.748 2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 56 174.326 -6.318 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 56 174.516 -6.544 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 56 172.752 -6.739 4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 56 173.700 -7.869 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 56 176.230 -4.793 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 56 174.701 -3.920 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 56 175.724 -4.357 3.006 1.00 0.00 H new ATOM 795 N THR A 57 170.564 -6.970 4.023 1.00 0.00 N ATOM 796 CA THR A 57 169.412 -6.802 4.903 1.00 0.00 C ATOM 797 C THR A 57 169.699 -7.341 6.301 1.00 0.00 C ATOM 798 O THR A 57 168.780 -7.703 7.037 1.00 0.00 O ATOM 799 CB THR A 57 168.189 -7.508 4.314 1.00 0.00 C ATOM 800 OG1 THR A 57 167.038 -7.260 5.102 1.00 0.00 O ATOM 801 CG2 THR A 57 168.357 -9.009 4.209 1.00 0.00 C ATOM 0 H THR A 57 171.051 -7.860 4.130 1.00 0.00 H new ATOM 0 HA THR A 57 169.207 -5.735 4.985 1.00 0.00 H new ATOM 0 HB THR A 57 168.076 -7.099 3.310 1.00 0.00 H new ATOM 0 HG1 THR A 57 167.253 -7.397 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 57 167.454 -9.447 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 57 169.208 -9.236 3.566 1.00 0.00 H new ATOM 0 HG23 THR A 57 168.530 -9.426 5.201 1.00 0.00 H new ATOM 809 N LYS A 58 170.977 -7.394 6.665 1.00 0.00 N ATOM 810 CA LYS A 58 171.379 -7.892 7.979 1.00 0.00 C ATOM 811 C LYS A 58 172.608 -7.145 8.495 1.00 0.00 C ATOM 812 O LYS A 58 173.740 -7.508 8.176 1.00 0.00 O ATOM 813 CB LYS A 58 171.681 -9.390 7.908 1.00 0.00 C ATOM 814 CG LYS A 58 170.460 -10.252 7.627 1.00 0.00 C ATOM 815 CD LYS A 58 170.837 -11.528 6.893 1.00 0.00 C ATOM 816 CE LYS A 58 170.867 -11.318 5.387 1.00 0.00 C ATOM 817 NZ LYS A 58 171.911 -10.337 4.981 1.00 0.00 N ATOM 0 H LYS A 58 171.752 -7.099 6.071 1.00 0.00 H new ATOM 0 HA LYS A 58 170.553 -7.722 8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 58 172.424 -9.564 7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 58 172.127 -9.706 8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 58 169.967 -10.503 8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 58 169.743 -9.687 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 58 171.815 -11.869 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 58 170.122 -12.314 7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 58 171.053 -12.271 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 58 169.891 -10.969 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 172.074 -10.408 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 171.593 -9.375 5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 172.796 -10.542 5.488 1.00 0.00 H new ATOM 831 N PRO A 59 172.405 -6.089 9.306 1.00 0.00 N ATOM 832 CA PRO A 59 173.511 -5.303 9.863 1.00 0.00 C ATOM 833 C PRO A 59 174.529 -6.173 10.588 1.00 0.00 C ATOM 834 O PRO A 59 174.458 -7.401 10.547 1.00 0.00 O ATOM 835 CB PRO A 59 172.821 -4.367 10.859 1.00 0.00 C ATOM 836 CG PRO A 59 171.423 -4.248 10.359 1.00 0.00 C ATOM 837 CD PRO A 59 171.091 -5.581 9.745 1.00 0.00 C ATOM 0 HA PRO A 59 174.071 -4.786 9.084 1.00 0.00 H new ATOM 0 HB2 PRO A 59 172.847 -4.775 11.869 1.00 0.00 H new ATOM 0 HB3 PRO A 59 173.313 -3.395 10.895 1.00 0.00 H new ATOM 0 HG2 PRO A 59 170.736 -4.010 11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.337 -3.447 9.624 1.00 0.00 H new ATOM 0 HD2 PRO A 59 170.621 -6.250 10.466 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.400 -5.478 8.909 1.00 0.00 H new ATOM 845 N LYS A 60 175.471 -5.524 11.258 1.00 0.00 N ATOM 846 CA LYS A 60 176.505 -6.234 12.007 1.00 0.00 C ATOM 847 C LYS A 60 176.402 -5.900 13.492 1.00 0.00 C ATOM 848 O LYS A 60 176.395 -6.786 14.345 1.00 0.00 O ATOM 849 CB LYS A 60 177.893 -5.866 11.477 1.00 0.00 C ATOM 850 CG LYS A 60 178.730 -7.072 11.077 1.00 0.00 C ATOM 851 CD LYS A 60 179.519 -7.620 12.255 1.00 0.00 C ATOM 852 CE LYS A 60 178.941 -8.935 12.754 1.00 0.00 C ATOM 853 NZ LYS A 60 179.069 -10.019 11.742 1.00 0.00 N ATOM 0 H LYS A 60 175.543 -4.507 11.300 1.00 0.00 H new ATOM 0 HA LYS A 60 176.356 -7.306 11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 60 177.781 -5.209 10.614 1.00 0.00 H new ATOM 0 HB3 LYS A 60 178.427 -5.301 12.241 1.00 0.00 H new ATOM 0 HG2 LYS A 60 178.080 -7.851 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 60 179.416 -6.791 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 60 180.558 -7.767 11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 60 179.518 -6.891 13.065 1.00 0.00 H new ATOM 0 HE2 LYS A 60 179.452 -9.232 13.670 1.00 0.00 H new ATOM 0 HE3 LYS A 60 177.890 -8.797 13.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 179.073 -10.942 12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 178.266 -9.975 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 179.957 -9.898 11.215 1.00 0.00 H new ATOM 867 N GLU A 61 176.309 -4.610 13.779 1.00 0.00 N ATOM 868 CA GLU A 61 176.190 -4.122 15.147 1.00 0.00 C ATOM 869 C GLU A 61 176.074 -2.611 15.135 1.00 0.00 C ATOM 870 O GLU A 61 177.068 -1.897 15.270 1.00 0.00 O ATOM 871 CB GLU A 61 177.384 -4.562 15.993 1.00 0.00 C ATOM 872 CG GLU A 61 177.087 -4.619 17.483 1.00 0.00 C ATOM 873 CD GLU A 61 178.340 -4.771 18.323 1.00 0.00 C ATOM 874 OE1 GLU A 61 179.248 -3.925 18.193 1.00 0.00 O ATOM 875 OE2 GLU A 61 178.412 -5.738 19.109 1.00 0.00 O ATOM 0 H GLU A 61 176.314 -3.873 13.074 1.00 0.00 H new ATOM 0 HA GLU A 61 175.293 -4.549 15.595 1.00 0.00 H new ATOM 0 HB2 GLU A 61 177.712 -5.546 15.659 1.00 0.00 H new ATOM 0 HB3 GLU A 61 178.212 -3.875 15.822 1.00 0.00 H new ATOM 0 HG2 GLU A 61 176.563 -3.710 17.780 1.00 0.00 H new ATOM 0 HG3 GLU A 61 176.416 -5.454 17.684 1.00 0.00 H new ATOM 882 N GLY A 62 174.856 -2.133 14.922 1.00 0.00 N ATOM 883 CA GLY A 62 174.634 -0.708 14.837 1.00 0.00 C ATOM 884 C GLY A 62 175.184 -0.156 13.537 1.00 0.00 C ATOM 885 O GLY A 62 175.090 1.041 13.270 1.00 0.00 O ATOM 0 H GLY A 62 174.021 -2.707 14.807 1.00 0.00 H new ATOM 0 HA2 GLY A 62 173.567 -0.497 14.905 1.00 0.00 H new ATOM 0 HA3 GLY A 62 175.112 -0.210 15.680 1.00 0.00 H new ATOM 889 N ARG A 63 175.764 -1.046 12.725 1.00 0.00 N ATOM 890 CA ARG A 63 176.333 -0.659 11.439 1.00 0.00 C ATOM 891 C ARG A 63 176.423 -1.860 10.503 1.00 0.00 C ATOM 892 O ARG A 63 176.616 -2.990 10.950 1.00 0.00 O ATOM 893 CB ARG A 63 177.719 -0.042 11.631 1.00 0.00 C ATOM 894 CG ARG A 63 178.589 -0.792 12.630 1.00 0.00 C ATOM 895 CD ARG A 63 179.053 0.116 13.758 1.00 0.00 C ATOM 896 NE ARG A 63 180.055 1.079 13.308 1.00 0.00 N ATOM 897 CZ ARG A 63 181.343 0.787 13.137 1.00 0.00 C ATOM 898 NH1 ARG A 63 181.788 -0.440 13.375 1.00 0.00 N ATOM 899 NH2 ARG A 63 182.186 1.723 12.727 1.00 0.00 N ATOM 0 H ARG A 63 175.850 -2.039 12.940 1.00 0.00 H new ATOM 0 HA ARG A 63 175.675 0.084 10.989 1.00 0.00 H new ATOM 0 HB2 ARG A 63 178.230 -0.011 10.669 1.00 0.00 H new ATOM 0 HB3 ARG A 63 177.605 0.989 11.964 1.00 0.00 H new ATOM 0 HG2 ARG A 63 178.029 -1.631 13.044 1.00 0.00 H new ATOM 0 HG3 ARG A 63 179.456 -1.209 12.118 1.00 0.00 H new ATOM 0 HD2 ARG A 63 178.196 0.650 14.170 1.00 0.00 H new ATOM 0 HD3 ARG A 63 179.468 -0.490 14.564 1.00 0.00 H new ATOM 0 HE ARG A 63 179.750 2.033 13.113 1.00 0.00 H new ATOM 0 HH11 ARG A 63 181.143 -1.164 13.690 1.00 0.00 H new ATOM 0 HH12 ARG A 63 182.775 -0.659 13.243 1.00 0.00 H new ATOM 0 HH21 ARG A 63 181.849 2.668 12.542 1.00 0.00 H new ATOM 0 HH22 ARG A 63 183.172 1.499 12.596 1.00 0.00 H new ATOM 913 N TRP A 64 176.298 -1.613 9.204 1.00 0.00 N ATOM 914 CA TRP A 64 176.384 -2.674 8.220 1.00 0.00 C ATOM 915 C TRP A 64 177.826 -2.851 7.763 1.00 0.00 C ATOM 916 O TRP A 64 178.658 -1.959 7.940 1.00 0.00 O ATOM 917 CB TRP A 64 175.490 -2.360 7.027 1.00 0.00 C ATOM 918 CG TRP A 64 174.075 -2.042 7.406 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.651 -1.013 8.195 1.00 0.00 C ATOM 920 CD2 TRP A 64 172.896 -2.758 7.014 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.283 -1.045 8.317 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.798 -2.104 7.600 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.661 -3.886 6.223 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.486 -2.539 7.423 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.358 -4.318 6.048 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.285 -3.643 6.645 1.00 0.00 C ATOM 0 H TRP A 64 176.137 -0.685 8.812 1.00 0.00 H new ATOM 0 HA TRP A 64 176.044 -3.603 8.677 1.00 0.00 H new ATOM 0 HB2 TRP A 64 175.910 -1.515 6.481 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.493 -3.212 6.347 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.296 -0.280 8.656 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.720 -0.386 8.855 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.482 -4.411 5.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.658 -2.022 7.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.165 -5.190 5.441 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.279 -4.003 6.487 1.00 0.00 H new ATOM 937 N THR A 65 178.116 -4.005 7.180 1.00 0.00 N ATOM 938 CA THR A 65 179.462 -4.302 6.705 1.00 0.00 C ATOM 939 C THR A 65 179.439 -4.906 5.305 1.00 0.00 C ATOM 940 O THR A 65 178.904 -5.995 5.093 1.00 0.00 O ATOM 941 CB THR A 65 180.163 -5.260 7.672 1.00 0.00 C ATOM 942 OG1 THR A 65 180.191 -4.719 8.981 1.00 0.00 O ATOM 943 CG2 THR A 65 181.590 -5.574 7.275 1.00 0.00 C ATOM 0 H THR A 65 177.439 -4.751 7.024 1.00 0.00 H new ATOM 0 HA THR A 65 180.014 -3.363 6.660 1.00 0.00 H new ATOM 0 HB THR A 65 179.582 -6.182 7.637 1.00 0.00 H new ATOM 0 HG1 THR A 65 180.775 -5.264 9.548 1.00 0.00 H new ATOM 0 HG21 THR A 65 182.028 -6.258 8.002 1.00 0.00 H new ATOM 0 HG22 THR A 65 181.600 -6.038 6.289 1.00 0.00 H new ATOM 0 HG23 THR A 65 182.171 -4.652 7.248 1.00 0.00 H new ATOM 951 N PHE A 66 180.032 -4.193 4.355 1.00 0.00 N ATOM 952 CA PHE A 66 180.096 -4.655 2.973 1.00 0.00 C ATOM 953 C PHE A 66 181.507 -5.124 2.637 1.00 0.00 C ATOM 954 O PHE A 66 182.372 -4.321 2.288 1.00 0.00 O ATOM 955 CB PHE A 66 179.672 -3.537 2.020 1.00 0.00 C ATOM 956 CG PHE A 66 179.438 -3.999 0.610 1.00 0.00 C ATOM 957 CD1 PHE A 66 180.489 -4.461 -0.168 1.00 0.00 C ATOM 958 CD2 PHE A 66 178.167 -3.969 0.062 1.00 0.00 C ATOM 959 CE1 PHE A 66 180.274 -4.884 -1.466 1.00 0.00 C ATOM 960 CE2 PHE A 66 177.947 -4.392 -1.235 1.00 0.00 C ATOM 961 CZ PHE A 66 179.002 -4.849 -2.000 1.00 0.00 C ATOM 0 H PHE A 66 180.477 -3.290 4.517 1.00 0.00 H new ATOM 0 HA PHE A 66 179.411 -5.494 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.759 -3.077 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 66 180.441 -2.764 2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 66 181.486 -4.491 0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 66 177.338 -3.611 0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 66 181.101 -5.242 -2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 66 176.950 -4.365 -1.650 1.00 0.00 H new ATOM 0 HZ PHE A 66 178.832 -5.178 -3.014 1.00 0.00 H new ATOM 971 N ARG A 67 181.739 -6.427 2.759 1.00 0.00 N ATOM 972 CA ARG A 67 183.051 -6.998 2.479 1.00 0.00 C ATOM 973 C ARG A 67 183.089 -7.658 1.106 1.00 0.00 C ATOM 974 O ARG A 67 182.138 -8.323 0.694 1.00 0.00 O ATOM 975 CB ARG A 67 183.425 -8.017 3.558 1.00 0.00 C ATOM 976 CG ARG A 67 183.852 -7.380 4.870 1.00 0.00 C ATOM 977 CD ARG A 67 184.042 -8.424 5.959 1.00 0.00 C ATOM 978 NE ARG A 67 182.785 -9.077 6.320 1.00 0.00 N ATOM 979 CZ ARG A 67 182.660 -9.941 7.324 1.00 0.00 C ATOM 980 NH1 ARG A 67 183.711 -10.258 8.070 1.00 0.00 N ATOM 981 NH2 ARG A 67 181.481 -10.490 7.583 1.00 0.00 N ATOM 0 H ARG A 67 181.036 -7.107 3.050 1.00 0.00 H new ATOM 0 HA ARG A 67 183.776 -6.184 2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 67 182.572 -8.670 3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 67 184.235 -8.646 3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 67 184.782 -6.831 4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 67 183.101 -6.656 5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 67 184.756 -9.175 5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 67 184.471 -7.952 6.842 1.00 0.00 H new ATOM 0 HE ARG A 67 181.955 -8.857 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 67 184.620 -9.839 7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 67 183.610 -10.921 8.839 1.00 0.00 H new ATOM 0 HH21 ARG A 67 180.670 -10.250 7.013 1.00 0.00 H new ATOM 0 HH22 ARG A 67 181.385 -11.152 8.353 1.00 0.00 H new ATOM 995 N ASP A 68 184.202 -7.470 0.402 1.00 0.00 N ATOM 996 CA ASP A 68 184.380 -8.046 -0.927 1.00 0.00 C ATOM 997 C ASP A 68 185.791 -8.605 -1.088 1.00 0.00 C ATOM 998 O ASP A 68 186.753 -7.852 -1.222 1.00 0.00 O ATOM 999 CB ASP A 68 184.108 -6.991 -2.002 1.00 0.00 C ATOM 1000 CG ASP A 68 183.248 -7.524 -3.132 1.00 0.00 C ATOM 1001 OD1 ASP A 68 183.739 -8.379 -3.899 1.00 0.00 O ATOM 1002 OD2 ASP A 68 182.084 -7.086 -3.247 1.00 0.00 O ATOM 0 H ASP A 68 184.996 -6.921 0.731 1.00 0.00 H new ATOM 0 HA ASP A 68 183.668 -8.863 -1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 68 183.614 -6.132 -1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 68 185.056 -6.636 -2.407 1.00 0.00 H new ATOM 1007 N ARG A 69 185.906 -9.931 -1.068 1.00 0.00 N ATOM 1008 CA ARG A 69 187.201 -10.592 -1.206 1.00 0.00 C ATOM 1009 C ARG A 69 187.542 -10.866 -2.671 1.00 0.00 C ATOM 1010 O ARG A 69 188.345 -11.749 -2.972 1.00 0.00 O ATOM 1011 CB ARG A 69 187.210 -11.905 -0.420 1.00 0.00 C ATOM 1012 CG ARG A 69 187.409 -11.719 1.076 1.00 0.00 C ATOM 1013 CD ARG A 69 187.482 -13.054 1.801 1.00 0.00 C ATOM 1014 NE ARG A 69 188.824 -13.326 2.312 1.00 0.00 N ATOM 1015 CZ ARG A 69 189.248 -14.536 2.671 1.00 0.00 C ATOM 1016 NH1 ARG A 69 188.441 -15.585 2.575 1.00 0.00 N ATOM 1017 NH2 ARG A 69 190.482 -14.696 3.128 1.00 0.00 N ATOM 0 H ARG A 69 185.118 -10.569 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 69 187.958 -9.919 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 69 186.268 -12.427 -0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 69 188.003 -12.545 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 69 188.325 -11.157 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 69 186.588 -11.128 1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 69 186.772 -13.057 2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 69 187.184 -13.852 1.122 1.00 0.00 H new ATOM 0 HE ARG A 69 189.473 -12.544 2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 69 187.490 -15.467 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 69 188.771 -16.510 2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 69 191.106 -13.893 3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 69 190.808 -15.623 3.403 1.00 0.00 H new ATOM 1031 N ASN A 70 186.929 -10.111 -3.579 1.00 0.00 N ATOM 1032 CA ASN A 70 187.175 -10.286 -5.006 1.00 0.00 C ATOM 1033 C ASN A 70 187.223 -8.940 -5.722 1.00 0.00 C ATOM 1034 O ASN A 70 186.737 -8.806 -6.845 1.00 0.00 O ATOM 1035 CB ASN A 70 186.090 -11.171 -5.625 1.00 0.00 C ATOM 1036 CG ASN A 70 186.670 -12.327 -6.416 1.00 0.00 C ATOM 1037 OD1 ASN A 70 186.401 -12.475 -7.608 1.00 0.00 O ATOM 1038 ND2 ASN A 70 187.469 -13.155 -5.753 1.00 0.00 N ATOM 0 H ASN A 70 186.261 -9.375 -3.352 1.00 0.00 H new ATOM 0 HA ASN A 70 188.143 -10.772 -5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 70 185.448 -11.561 -4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 70 185.461 -10.567 -6.278 1.00 0.00 H new ATOM 0 HD21 ASN A 70 187.887 -13.953 -6.232 1.00 0.00 H new ATOM 0 HD22 ASN A 70 187.664 -12.993 -4.765 1.00 0.00 H new ATOM 1045 N ALA A 71 187.812 -7.947 -5.065 1.00 0.00 N ATOM 1046 CA ALA A 71 187.922 -6.613 -5.643 1.00 0.00 C ATOM 1047 C ALA A 71 189.344 -6.339 -6.124 1.00 0.00 C ATOM 1048 O ALA A 71 190.281 -6.293 -5.329 1.00 0.00 O ATOM 1049 CB ALA A 71 187.493 -5.565 -4.628 1.00 0.00 C ATOM 0 H ALA A 71 188.219 -8.040 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 71 187.259 -6.560 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.579 -4.573 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.458 -5.743 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 71 188.134 -5.627 -3.748 1.00 0.00 H new ATOM 1055 N LYS A 72 189.493 -6.159 -7.432 1.00 0.00 N ATOM 1056 CA LYS A 72 190.801 -5.889 -8.021 1.00 0.00 C ATOM 1057 C LYS A 72 191.249 -4.462 -7.721 1.00 0.00 C ATOM 1058 O LYS A 72 191.183 -3.586 -8.584 1.00 0.00 O ATOM 1059 CB LYS A 72 190.759 -6.115 -9.534 1.00 0.00 C ATOM 1060 CG LYS A 72 192.099 -5.899 -10.219 1.00 0.00 C ATOM 1061 CD LYS A 72 191.948 -5.836 -11.730 1.00 0.00 C ATOM 1062 CE LYS A 72 193.300 -5.780 -12.424 1.00 0.00 C ATOM 1063 NZ LYS A 72 193.668 -4.390 -12.819 1.00 0.00 N ATOM 0 H LYS A 72 188.726 -6.195 -8.104 1.00 0.00 H new ATOM 0 HA LYS A 72 191.520 -6.577 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 72 190.419 -7.132 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 72 190.023 -5.442 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 72 192.548 -4.974 -9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 72 192.779 -6.708 -9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 72 191.395 -6.709 -12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 72 191.362 -4.958 -12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 72 194.065 -6.183 -11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 72 193.280 -6.415 -13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 194.596 -4.397 -13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 192.952 -4.014 -13.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 193.713 -3.789 -11.972 1.00 0.00 H new ATOM 1077 N LEU A 73 191.701 -4.234 -6.492 1.00 0.00 N ATOM 1078 CA LEU A 73 192.157 -2.913 -6.079 1.00 0.00 C ATOM 1079 C LEU A 73 193.674 -2.803 -6.180 1.00 0.00 C ATOM 1080 O LEU A 73 194.399 -3.737 -5.837 1.00 0.00 O ATOM 1081 CB LEU A 73 191.707 -2.618 -4.647 1.00 0.00 C ATOM 1082 CG LEU A 73 190.287 -3.076 -4.308 1.00 0.00 C ATOM 1083 CD1 LEU A 73 189.909 -2.647 -2.898 1.00 0.00 C ATOM 1084 CD2 LEU A 73 189.293 -2.526 -5.322 1.00 0.00 C ATOM 0 H LEU A 73 191.761 -4.947 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 73 191.713 -2.178 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 73 192.402 -3.098 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 73 191.777 -1.544 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 73 190.256 -4.165 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 73 188.896 -2.982 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 73 190.603 -3.091 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 73 189.957 -1.561 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.288 -2.862 -5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 73 189.326 -1.437 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 73 189.552 -2.886 -6.318 1.00 0.00 H new ATOM 1096 N LYS A 74 194.149 -1.657 -6.655 1.00 0.00 N ATOM 1097 CA LYS A 74 195.580 -1.426 -6.801 1.00 0.00 C ATOM 1098 C LYS A 74 195.965 -0.049 -6.269 1.00 0.00 C ATOM 1099 O LYS A 74 195.153 0.876 -6.261 1.00 0.00 O ATOM 1100 CB LYS A 74 195.995 -1.556 -8.265 1.00 0.00 C ATOM 1101 CG LYS A 74 197.440 -1.989 -8.453 1.00 0.00 C ATOM 1102 CD LYS A 74 198.355 -0.793 -8.673 1.00 0.00 C ATOM 1103 CE LYS A 74 199.684 -1.213 -9.282 1.00 0.00 C ATOM 1104 NZ LYS A 74 199.635 -1.223 -10.771 1.00 0.00 N ATOM 0 H LYS A 74 193.563 -0.874 -6.945 1.00 0.00 H new ATOM 0 HA LYS A 74 196.105 -2.181 -6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 74 195.342 -2.277 -8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 74 195.844 -0.598 -8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 74 197.771 -2.546 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 74 197.511 -2.665 -9.305 1.00 0.00 H new ATOM 0 HD2 LYS A 74 197.864 -0.074 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 74 198.532 -0.289 -7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 74 200.467 -0.532 -8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 74 199.951 -2.206 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 200.560 -1.514 -11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 198.905 -1.892 -11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 199.406 -0.270 -11.117 1.00 0.00 H new ATOM 1118 N LEU A 75 197.209 0.072 -5.825 1.00 0.00 N ATOM 1119 CA LEU A 75 197.715 1.328 -5.282 1.00 0.00 C ATOM 1120 C LEU A 75 197.543 2.473 -6.272 1.00 0.00 C ATOM 1121 O LEU A 75 197.784 2.317 -7.470 1.00 0.00 O ATOM 1122 CB LEU A 75 199.197 1.173 -4.913 1.00 0.00 C ATOM 1123 CG LEU A 75 199.571 1.595 -3.490 1.00 0.00 C ATOM 1124 CD1 LEU A 75 199.591 3.111 -3.372 1.00 0.00 C ATOM 1125 CD2 LEU A 75 198.615 0.983 -2.476 1.00 0.00 C ATOM 0 H LEU A 75 197.890 -0.687 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 75 197.138 1.568 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 75 199.480 0.129 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.791 1.759 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 75 200.572 1.223 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 75 199.859 3.393 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 75 200.324 3.520 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 75 198.604 3.508 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 75 198.900 1.297 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 75 197.599 1.317 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 75 198.660 -0.104 -2.543 1.00 0.00 H new ATOM 1137 N GLY A 76 197.123 3.626 -5.760 1.00 0.00 N ATOM 1138 CA GLY A 76 196.925 4.786 -6.607 1.00 0.00 C ATOM 1139 C GLY A 76 195.502 4.903 -7.111 1.00 0.00 C ATOM 1140 O GLY A 76 195.014 6.004 -7.361 1.00 0.00 O ATOM 0 H GLY A 76 196.916 3.777 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 76 197.184 5.686 -6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.604 4.730 -7.458 1.00 0.00 H new ATOM 1144 N ASP A 77 194.837 3.763 -7.265 1.00 0.00 N ATOM 1145 CA ASP A 77 193.469 3.739 -7.749 1.00 0.00 C ATOM 1146 C ASP A 77 192.547 4.546 -6.839 1.00 0.00 C ATOM 1147 O ASP A 77 192.873 4.810 -5.678 1.00 0.00 O ATOM 1148 CB ASP A 77 192.972 2.295 -7.859 1.00 0.00 C ATOM 1149 CG ASP A 77 191.626 2.196 -8.550 1.00 0.00 C ATOM 1150 OD1 ASP A 77 190.607 2.533 -7.913 1.00 0.00 O ATOM 1151 OD2 ASP A 77 191.591 1.778 -9.726 1.00 0.00 O ATOM 0 H ASP A 77 195.228 2.843 -7.060 1.00 0.00 H new ATOM 0 HA ASP A 77 193.453 4.198 -8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 77 193.704 1.703 -8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.897 1.863 -6.861 1.00 0.00 H new ATOM 1156 N LYS A 78 191.396 4.934 -7.377 1.00 0.00 N ATOM 1157 CA LYS A 78 190.418 5.712 -6.627 1.00 0.00 C ATOM 1158 C LYS A 78 189.062 5.011 -6.623 1.00 0.00 C ATOM 1159 O LYS A 78 188.787 4.165 -7.473 1.00 0.00 O ATOM 1160 CB LYS A 78 190.278 7.108 -7.239 1.00 0.00 C ATOM 1161 CG LYS A 78 189.601 8.112 -6.320 1.00 0.00 C ATOM 1162 CD LYS A 78 190.228 9.489 -6.446 1.00 0.00 C ATOM 1163 CE LYS A 78 190.073 10.291 -5.163 1.00 0.00 C ATOM 1164 NZ LYS A 78 190.107 11.757 -5.417 1.00 0.00 N ATOM 0 H LYS A 78 191.117 4.721 -8.335 1.00 0.00 H new ATOM 0 HA LYS A 78 190.766 5.803 -5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.268 7.480 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.708 7.034 -8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 78 188.540 8.170 -6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 78 189.675 7.770 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 78 191.286 9.388 -6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 78 189.763 10.028 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 78 189.131 10.028 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 78 190.871 10.024 -4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 189.998 12.268 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 191.016 12.013 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 189.331 12.016 -6.058 1.00 0.00 H new ATOM 1178 N ILE A 79 188.222 5.365 -5.658 1.00 0.00 N ATOM 1179 CA ILE A 79 186.897 4.766 -5.533 1.00 0.00 C ATOM 1180 C ILE A 79 185.782 5.793 -5.736 1.00 0.00 C ATOM 1181 O ILE A 79 185.900 6.949 -5.328 1.00 0.00 O ATOM 1182 CB ILE A 79 186.718 4.034 -4.184 1.00 0.00 C ATOM 1183 CG1 ILE A 79 187.033 2.547 -4.360 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.304 4.210 -3.637 1.00 0.00 C ATOM 1185 CD1 ILE A 79 188.444 2.281 -4.838 1.00 0.00 C ATOM 0 H ILE A 79 188.435 6.066 -4.948 1.00 0.00 H new ATOM 0 HA ILE A 79 186.820 4.026 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 79 187.409 4.472 -3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 79 186.877 2.036 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 79 186.329 2.117 -5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.213 3.682 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 79 185.102 5.270 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 79 184.585 3.803 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 79 188.597 1.207 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 79 188.598 2.763 -5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 79 189.155 2.681 -4.115 1.00 0.00 H new ATOM 1197 N TYR A 80 184.688 5.342 -6.338 1.00 0.00 N ATOM 1198 CA TYR A 80 183.520 6.185 -6.570 1.00 0.00 C ATOM 1199 C TYR A 80 182.261 5.341 -6.420 1.00 0.00 C ATOM 1200 O TYR A 80 182.152 4.280 -7.037 1.00 0.00 O ATOM 1201 CB TYR A 80 183.585 6.816 -7.956 1.00 0.00 C ATOM 1202 CG TYR A 80 184.752 7.765 -8.124 1.00 0.00 C ATOM 1203 CD1 TYR A 80 184.639 9.104 -7.776 1.00 0.00 C ATOM 1204 CD2 TYR A 80 185.968 7.316 -8.624 1.00 0.00 C ATOM 1205 CE1 TYR A 80 185.705 9.972 -7.926 1.00 0.00 C ATOM 1206 CE2 TYR A 80 187.038 8.177 -8.775 1.00 0.00 C ATOM 1207 CZ TYR A 80 186.901 9.503 -8.424 1.00 0.00 C ATOM 1208 OH TYR A 80 187.965 10.364 -8.574 1.00 0.00 O ATOM 0 H TYR A 80 184.585 4.386 -6.678 1.00 0.00 H new ATOM 0 HA TYR A 80 183.501 6.992 -5.837 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.656 6.027 -8.705 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.657 7.354 -8.147 1.00 0.00 H new ATOM 0 HD1 TYR A 80 183.704 9.474 -7.382 1.00 0.00 H new ATOM 0 HD2 TYR A 80 186.079 6.277 -8.899 1.00 0.00 H new ATOM 0 HE1 TYR A 80 185.601 11.012 -7.654 1.00 0.00 H new ATOM 0 HE2 TYR A 80 187.977 7.813 -9.166 1.00 0.00 H new ATOM 0 HH TYR A 80 187.911 11.071 -7.898 1.00 0.00 H new ATOM 1218 N PHE A 81 181.324 5.773 -5.577 1.00 0.00 N ATOM 1219 CA PHE A 81 180.116 4.985 -5.360 1.00 0.00 C ATOM 1220 C PHE A 81 178.977 5.782 -4.754 1.00 0.00 C ATOM 1221 O PHE A 81 179.057 6.995 -4.561 1.00 0.00 O ATOM 1222 CB PHE A 81 180.430 3.831 -4.409 1.00 0.00 C ATOM 1223 CG PHE A 81 181.077 4.280 -3.130 1.00 0.00 C ATOM 1224 CD1 PHE A 81 182.363 4.794 -3.126 1.00 0.00 C ATOM 1225 CD2 PHE A 81 180.387 4.199 -1.930 1.00 0.00 C ATOM 1226 CE1 PHE A 81 182.949 5.216 -1.947 1.00 0.00 C ATOM 1227 CE2 PHE A 81 180.968 4.620 -0.750 1.00 0.00 C ATOM 1228 CZ PHE A 81 182.250 5.130 -0.758 1.00 0.00 C ATOM 0 H PHE A 81 181.376 6.642 -5.046 1.00 0.00 H new ATOM 0 HA PHE A 81 179.798 4.636 -6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.507 3.300 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 81 181.087 3.122 -4.912 1.00 0.00 H new ATOM 0 HD1 PHE A 81 182.913 4.866 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 81 179.383 3.802 -1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 81 183.953 5.613 -1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 81 180.420 4.550 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 81 182.706 5.461 0.163 1.00 0.00 H new ATOM 1238 N TRP A 82 177.931 5.039 -4.423 1.00 0.00 N ATOM 1239 CA TRP A 82 176.742 5.578 -3.781 1.00 0.00 C ATOM 1240 C TRP A 82 176.067 4.463 -2.993 1.00 0.00 C ATOM 1241 O TRP A 82 175.924 3.346 -3.492 1.00 0.00 O ATOM 1242 CB TRP A 82 175.781 6.197 -4.804 1.00 0.00 C ATOM 1243 CG TRP A 82 175.251 5.240 -5.827 1.00 0.00 C ATOM 1244 CD1 TRP A 82 175.956 4.630 -6.824 1.00 0.00 C ATOM 1245 CD2 TRP A 82 173.895 4.800 -5.967 1.00 0.00 C ATOM 1246 NE1 TRP A 82 175.120 3.840 -7.577 1.00 0.00 N ATOM 1247 CE2 TRP A 82 173.852 3.925 -7.068 1.00 0.00 C ATOM 1248 CE3 TRP A 82 172.714 5.060 -5.267 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.674 3.312 -7.488 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.545 4.449 -5.682 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.532 3.584 -6.784 1.00 0.00 C ATOM 0 H TRP A 82 177.884 4.035 -4.595 1.00 0.00 H new ATOM 0 HA TRP A 82 177.032 6.381 -3.103 1.00 0.00 H new ATOM 0 HB2 TRP A 82 174.940 6.639 -4.270 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.294 7.009 -5.318 1.00 0.00 H new ATOM 0 HD1 TRP A 82 177.015 4.750 -6.996 1.00 0.00 H new ATOM 0 HE1 TRP A 82 175.399 3.281 -8.384 1.00 0.00 H new ATOM 0 HE3 TRP A 82 172.714 5.726 -4.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.662 2.646 -8.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 170.627 4.642 -5.148 1.00 0.00 H new ATOM 0 HH2 TRP A 82 170.603 3.123 -7.084 1.00 0.00 H new ATOM 1262 N THR A 83 175.683 4.749 -1.754 1.00 0.00 N ATOM 1263 CA THR A 83 175.061 3.727 -0.912 1.00 0.00 C ATOM 1264 C THR A 83 173.552 3.877 -0.897 1.00 0.00 C ATOM 1265 O THR A 83 173.032 4.908 -1.286 1.00 0.00 O ATOM 1266 CB THR A 83 175.604 3.804 0.515 1.00 0.00 C ATOM 1267 OG1 THR A 83 175.717 5.151 0.937 1.00 0.00 O ATOM 1268 CG2 THR A 83 176.962 3.156 0.676 1.00 0.00 C ATOM 0 H THR A 83 175.788 5.663 -1.314 1.00 0.00 H new ATOM 0 HA THR A 83 175.308 2.753 -1.335 1.00 0.00 H new ATOM 0 HB THR A 83 174.885 3.258 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.328 5.204 1.701 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.288 3.247 1.712 1.00 0.00 H new ATOM 0 HG22 THR A 83 176.896 2.102 0.407 1.00 0.00 H new ATOM 0 HG23 THR A 83 177.681 3.652 0.025 1.00 0.00 H new ATOM 1276 N TYR A 84 172.854 2.835 -0.460 1.00 0.00 N ATOM 1277 CA TYR A 84 171.402 2.860 -0.412 1.00 0.00 C ATOM 1278 C TYR A 84 170.892 2.108 0.814 1.00 0.00 C ATOM 1279 O TYR A 84 171.223 0.944 1.015 1.00 0.00 O ATOM 1280 CB TYR A 84 170.847 2.225 -1.682 1.00 0.00 C ATOM 1281 CG TYR A 84 169.343 2.294 -1.799 1.00 0.00 C ATOM 1282 CD1 TYR A 84 168.651 3.449 -1.453 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.612 1.207 -2.262 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.275 3.517 -1.564 1.00 0.00 C ATOM 1285 CE2 TYR A 84 167.236 1.268 -2.377 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.573 2.424 -2.026 1.00 0.00 C ATOM 1287 OH TYR A 84 165.203 2.490 -2.139 1.00 0.00 O ATOM 0 H TYR A 84 173.273 1.964 -0.134 1.00 0.00 H new ATOM 0 HA TYR A 84 171.066 3.895 -0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 84 171.291 2.719 -2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 84 171.156 1.180 -1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 84 169.198 4.307 -1.091 1.00 0.00 H new ATOM 0 HD2 TYR A 84 169.128 0.299 -2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 84 166.752 4.422 -1.290 1.00 0.00 H new ATOM 0 HE2 TYR A 84 166.683 0.414 -2.740 1.00 0.00 H new ATOM 0 HH TYR A 84 164.861 1.637 -2.480 1.00 0.00 H new ATOM 1297 N VAL A 85 170.088 2.772 1.632 1.00 0.00 N ATOM 1298 CA VAL A 85 169.541 2.145 2.831 1.00 0.00 C ATOM 1299 C VAL A 85 168.014 2.127 2.770 1.00 0.00 C ATOM 1300 O VAL A 85 167.418 2.820 1.950 1.00 0.00 O ATOM 1301 CB VAL A 85 170.021 2.859 4.132 1.00 0.00 C ATOM 1302 CG1 VAL A 85 170.939 4.027 3.808 1.00 0.00 C ATOM 1303 CG2 VAL A 85 168.854 3.339 4.993 1.00 0.00 C ATOM 0 H VAL A 85 169.800 3.740 1.490 1.00 0.00 H new ATOM 0 HA VAL A 85 169.911 1.120 2.863 1.00 0.00 H new ATOM 0 HB VAL A 85 170.577 2.117 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 85 171.258 4.506 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 85 171.813 3.664 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.405 4.749 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 85 169.239 3.829 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 85 168.248 4.045 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.241 2.486 5.283 1.00 0.00 H new ATOM 1313 N ILE A 86 167.391 1.340 3.648 1.00 0.00 N ATOM 1314 CA ILE A 86 165.933 1.248 3.701 1.00 0.00 C ATOM 1315 C ILE A 86 165.448 1.155 5.135 1.00 0.00 C ATOM 1316 O ILE A 86 165.586 0.115 5.772 1.00 0.00 O ATOM 1317 CB ILE A 86 165.401 0.022 2.940 1.00 0.00 C ATOM 1318 CG1 ILE A 86 165.988 -0.026 1.539 1.00 0.00 C ATOM 1319 CG2 ILE A 86 163.880 0.049 2.882 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.555 1.118 0.660 1.00 0.00 C ATOM 0 H ILE A 86 167.874 0.757 4.332 1.00 0.00 H new ATOM 0 HA ILE A 86 165.555 2.155 3.229 1.00 0.00 H new ATOM 0 HB ILE A 86 165.708 -0.877 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 86 167.076 -0.026 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 86 165.700 -0.965 1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.521 -0.826 2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.477 0.039 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.551 0.953 2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 86 166.014 1.015 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.470 1.107 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 86 165.867 2.061 1.110 1.00 0.00 H new ATOM 1332 N LYS A 87 164.876 2.243 5.630 1.00 0.00 N ATOM 1333 CA LYS A 87 164.356 2.290 6.991 1.00 0.00 C ATOM 1334 C LYS A 87 162.834 2.185 6.991 1.00 0.00 C ATOM 1335 O LYS A 87 162.135 3.119 7.386 1.00 0.00 O ATOM 1336 CB LYS A 87 164.790 3.588 7.679 1.00 0.00 C ATOM 1337 CG LYS A 87 164.699 3.532 9.196 1.00 0.00 C ATOM 1338 CD LYS A 87 163.626 4.471 9.725 1.00 0.00 C ATOM 1339 CE LYS A 87 163.672 4.572 11.241 1.00 0.00 C ATOM 1340 NZ LYS A 87 164.843 5.366 11.708 1.00 0.00 N ATOM 0 H LYS A 87 164.759 3.111 5.107 1.00 0.00 H new ATOM 0 HA LYS A 87 164.762 1.442 7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 87 165.817 3.815 7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 87 164.169 4.407 7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 87 164.479 2.512 9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 87 165.663 3.798 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 87 163.760 5.461 9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 87 162.644 4.116 9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 87 162.753 5.033 11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 87 163.717 3.571 11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 164.694 5.657 12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 165.704 4.785 11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 164.950 6.210 11.111 1.00 0.00 H new ATOM 1354 N ASP A 88 162.323 1.040 6.543 1.00 0.00 N ATOM 1355 CA ASP A 88 160.882 0.812 6.489 1.00 0.00 C ATOM 1356 C ASP A 88 160.227 1.715 5.447 1.00 0.00 C ATOM 1357 O ASP A 88 159.422 2.587 5.782 1.00 0.00 O ATOM 1358 CB ASP A 88 160.249 1.051 7.863 1.00 0.00 C ATOM 1359 CG ASP A 88 158.835 0.513 7.952 1.00 0.00 C ATOM 1360 OD1 ASP A 88 158.229 0.256 6.889 1.00 0.00 O ATOM 1361 OD2 ASP A 88 158.330 0.351 9.083 1.00 0.00 O ATOM 0 H ASP A 88 162.886 0.256 6.212 1.00 0.00 H new ATOM 0 HA ASP A 88 160.716 -0.226 6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 88 160.863 0.578 8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 88 160.242 2.120 8.075 1.00 0.00 H new ATOM 1366 N GLY A 89 160.580 1.505 4.182 1.00 0.00 N ATOM 1367 CA GLY A 89 160.019 2.308 3.111 1.00 0.00 C ATOM 1368 C GLY A 89 160.531 3.736 3.131 1.00 0.00 C ATOM 1369 O GLY A 89 159.841 4.657 2.697 1.00 0.00 O ATOM 0 H GLY A 89 161.245 0.793 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.262 1.851 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 89 158.932 2.313 3.195 1.00 0.00 H new ATOM 1373 N LEU A 90 161.747 3.915 3.635 1.00 0.00 N ATOM 1374 CA LEU A 90 162.362 5.238 3.716 1.00 0.00 C ATOM 1375 C LEU A 90 163.854 5.139 3.455 1.00 0.00 C ATOM 1376 O LEU A 90 164.670 5.227 4.372 1.00 0.00 O ATOM 1377 CB LEU A 90 162.106 5.855 5.087 1.00 0.00 C ATOM 1378 CG LEU A 90 160.713 5.585 5.641 1.00 0.00 C ATOM 1379 CD1 LEU A 90 160.635 5.963 7.113 1.00 0.00 C ATOM 1380 CD2 LEU A 90 159.673 6.342 4.831 1.00 0.00 C ATOM 0 H LEU A 90 162.329 3.159 3.995 1.00 0.00 H new ATOM 0 HA LEU A 90 161.916 5.879 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 90 162.845 5.471 5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 90 162.257 6.933 5.022 1.00 0.00 H new ATOM 0 HG LEU A 90 160.506 4.518 5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 90 159.631 5.762 7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 90 161.358 5.375 7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 90 160.860 7.023 7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 90 158.681 6.142 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 90 159.878 7.411 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 90 159.714 6.016 3.792 1.00 0.00 H new ATOM 1392 N GLY A 91 164.196 4.924 2.197 1.00 0.00 N ATOM 1393 CA GLY A 91 165.576 4.778 1.821 1.00 0.00 C ATOM 1394 C GLY A 91 166.330 6.085 1.689 1.00 0.00 C ATOM 1395 O GLY A 91 165.738 7.156 1.554 1.00 0.00 O ATOM 0 H GLY A 91 163.533 4.848 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 91 166.078 4.156 2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.627 4.246 0.871 1.00 0.00 H new ATOM 1399 N TYR A 92 167.653 5.972 1.715 1.00 0.00 N ATOM 1400 CA TYR A 92 168.551 7.117 1.586 1.00 0.00 C ATOM 1401 C TYR A 92 169.869 6.652 0.980 1.00 0.00 C ATOM 1402 O TYR A 92 170.321 5.543 1.264 1.00 0.00 O ATOM 1403 CB TYR A 92 168.797 7.761 2.952 1.00 0.00 C ATOM 1404 CG TYR A 92 167.533 7.982 3.754 1.00 0.00 C ATOM 1405 CD1 TYR A 92 166.690 9.050 3.474 1.00 0.00 C ATOM 1406 CD2 TYR A 92 167.184 7.122 4.788 1.00 0.00 C ATOM 1407 CE1 TYR A 92 165.534 9.255 4.202 1.00 0.00 C ATOM 1408 CE2 TYR A 92 166.030 7.321 5.520 1.00 0.00 C ATOM 1409 CZ TYR A 92 165.209 8.388 5.225 1.00 0.00 C ATOM 1410 OH TYR A 92 164.058 8.590 5.953 1.00 0.00 O ATOM 0 H TYR A 92 168.136 5.081 1.827 1.00 0.00 H new ATOM 0 HA TYR A 92 168.092 7.862 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 92 169.475 7.129 3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 92 169.298 8.718 2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 92 166.942 9.731 2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 92 167.825 6.285 5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 92 164.888 10.089 3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 92 165.772 6.643 6.320 1.00 0.00 H new ATOM 0 HH TYR A 92 163.975 7.891 6.635 1.00 0.00 H new ATOM 1420 N ARG A 93 170.484 7.473 0.129 1.00 0.00 N ATOM 1421 CA ARG A 93 171.731 7.074 -0.498 1.00 0.00 C ATOM 1422 C ARG A 93 172.841 8.085 -0.297 1.00 0.00 C ATOM 1423 O ARG A 93 172.623 9.296 -0.345 1.00 0.00 O ATOM 1424 CB ARG A 93 171.530 6.850 -1.996 1.00 0.00 C ATOM 1425 CG ARG A 93 171.062 8.088 -2.743 1.00 0.00 C ATOM 1426 CD ARG A 93 170.976 7.832 -4.239 1.00 0.00 C ATOM 1427 NE ARG A 93 169.832 8.506 -4.849 1.00 0.00 N ATOM 1428 CZ ARG A 93 169.840 9.779 -5.239 1.00 0.00 C ATOM 1429 NH1 ARG A 93 170.928 10.523 -5.082 1.00 0.00 N ATOM 1430 NH2 ARG A 93 168.756 10.309 -5.787 1.00 0.00 N ATOM 0 H ARG A 93 170.144 8.398 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 93 172.032 6.145 -0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.468 6.507 -2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.801 6.053 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 93 170.085 8.394 -2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 93 171.749 8.912 -2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 93 171.894 8.173 -4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 93 170.902 6.759 -4.419 1.00 0.00 H new ATOM 0 HE ARG A 93 168.976 7.969 -4.984 1.00 0.00 H new ATOM 0 HH11 ARG A 93 171.765 10.120 -4.660 1.00 0.00 H new ATOM 0 HH12 ARG A 93 170.927 11.498 -5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 93 167.917 9.742 -5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 93 168.761 11.284 -6.086 1.00 0.00 H new ATOM 1444 N GLN A 94 174.045 7.563 -0.118 1.00 0.00 N ATOM 1445 CA GLN A 94 175.220 8.395 0.040 1.00 0.00 C ATOM 1446 C GLN A 94 175.969 8.432 -1.278 1.00 0.00 C ATOM 1447 O GLN A 94 176.986 7.760 -1.448 1.00 0.00 O ATOM 1448 CB GLN A 94 176.131 7.863 1.145 1.00 0.00 C ATOM 1449 CG GLN A 94 177.067 8.918 1.710 1.00 0.00 C ATOM 1450 CD GLN A 94 178.412 8.346 2.118 1.00 0.00 C ATOM 1451 OE1 GLN A 94 178.517 7.174 2.481 1.00 0.00 O ATOM 1452 NE2 GLN A 94 179.450 9.172 2.057 1.00 0.00 N ATOM 0 H GLN A 94 174.231 6.561 -0.079 1.00 0.00 H new ATOM 0 HA GLN A 94 174.908 9.400 0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.517 7.462 1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.722 7.035 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.219 9.700 0.966 1.00 0.00 H new ATOM 0 HG3 GLN A 94 176.599 9.388 2.575 1.00 0.00 H new ATOM 0 HE21 GLN A 94 179.318 10.136 1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 94 180.380 8.843 2.317 1.00 0.00 H new ATOM 1461 N ASP A 95 175.429 9.194 -2.221 1.00 0.00 N ATOM 1462 CA ASP A 95 176.019 9.307 -3.546 1.00 0.00 C ATOM 1463 C ASP A 95 177.217 10.244 -3.548 1.00 0.00 C ATOM 1464 O ASP A 95 177.529 10.879 -2.540 1.00 0.00 O ATOM 1465 CB ASP A 95 174.980 9.800 -4.549 1.00 0.00 C ATOM 1466 CG ASP A 95 174.337 11.107 -4.127 1.00 0.00 C ATOM 1467 OD1 ASP A 95 174.513 11.505 -2.956 1.00 0.00 O ATOM 1468 OD2 ASP A 95 173.658 11.734 -4.967 1.00 0.00 O ATOM 0 H ASP A 95 174.580 9.744 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 95 176.363 8.314 -3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.453 9.930 -5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.207 9.041 -4.669 1.00 0.00 H new ATOM 1473 N ASN A 96 177.881 10.321 -4.693 1.00 0.00 N ATOM 1474 CA ASN A 96 179.047 11.176 -4.847 1.00 0.00 C ATOM 1475 C ASN A 96 180.152 10.775 -3.870 1.00 0.00 C ATOM 1476 O ASN A 96 181.069 11.550 -3.606 1.00 0.00 O ATOM 1477 CB ASN A 96 178.650 12.636 -4.631 1.00 0.00 C ATOM 1478 CG ASN A 96 179.814 13.593 -4.812 1.00 0.00 C ATOM 1479 OD1 ASN A 96 180.829 13.247 -5.419 1.00 0.00 O ATOM 1480 ND2 ASN A 96 179.674 14.804 -4.287 1.00 0.00 N ATOM 0 H ASN A 96 177.629 9.798 -5.532 1.00 0.00 H new ATOM 0 HA ASN A 96 179.434 11.056 -5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.856 12.900 -5.330 1.00 0.00 H new ATOM 0 HB3 ASN A 96 178.242 12.752 -3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 96 180.424 15.489 -4.379 1.00 0.00 H new ATOM 0 HD22 ASN A 96 178.817 15.049 -3.792 1.00 0.00 H new ATOM 1487 N GLY A 97 180.064 9.557 -3.339 1.00 0.00 N ATOM 1488 CA GLY A 97 181.074 9.091 -2.408 1.00 0.00 C ATOM 1489 C GLY A 97 182.305 8.579 -3.116 1.00 0.00 C ATOM 1490 O GLY A 97 182.256 8.241 -4.299 1.00 0.00 O ATOM 0 H GLY A 97 179.317 8.891 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.353 9.905 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 97 180.657 8.298 -1.788 1.00 0.00 H new ATOM 1494 N GLU A 98 183.408 8.523 -2.392 1.00 0.00 N ATOM 1495 CA GLU A 98 184.665 8.050 -2.959 1.00 0.00 C ATOM 1496 C GLU A 98 185.587 7.492 -1.882 1.00 0.00 C ATOM 1497 O GLU A 98 185.421 7.776 -0.696 1.00 0.00 O ATOM 1498 CB GLU A 98 185.367 9.185 -3.707 1.00 0.00 C ATOM 1499 CG GLU A 98 185.632 10.410 -2.848 1.00 0.00 C ATOM 1500 CD GLU A 98 184.520 11.437 -2.944 1.00 0.00 C ATOM 1501 OE1 GLU A 98 183.879 11.521 -4.013 1.00 0.00 O ATOM 1502 OE2 GLU A 98 184.290 12.157 -1.949 1.00 0.00 O ATOM 0 H GLU A 98 183.463 8.798 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 98 184.433 7.245 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 98 186.314 8.817 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 98 184.757 9.477 -4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 98 185.750 10.103 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 98 186.573 10.868 -3.154 1.00 0.00 H new ATOM 1509 N TRP A 99 186.567 6.708 -2.312 1.00 0.00 N ATOM 1510 CA TRP A 99 187.534 6.113 -1.400 1.00 0.00 C ATOM 1511 C TRP A 99 188.890 5.980 -2.095 1.00 0.00 C ATOM 1512 O TRP A 99 188.989 6.147 -3.310 1.00 0.00 O ATOM 1513 CB TRP A 99 187.035 4.760 -0.893 1.00 0.00 C ATOM 1514 CG TRP A 99 188.006 4.068 0.007 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.285 4.367 1.309 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.834 2.958 -0.338 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.239 3.507 1.794 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.591 2.633 0.799 1.00 0.00 C ATOM 1519 CE3 TRP A 99 189.005 2.208 -1.502 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 190.509 1.588 0.803 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 189.913 1.171 -1.498 1.00 0.00 C ATOM 1522 CH2 TRP A 99 190.656 0.869 -0.353 1.00 0.00 C ATOM 0 H TRP A 99 186.713 6.469 -3.293 1.00 0.00 H new ATOM 0 HA TRP A 99 187.654 6.764 -0.534 1.00 0.00 H new ATOM 0 HB2 TRP A 99 186.096 4.904 -0.359 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.821 4.117 -1.747 1.00 0.00 H new ATOM 0 HD1 TRP A 99 187.823 5.163 1.875 1.00 0.00 H new ATOM 0 HE1 TRP A 99 189.623 3.517 2.739 1.00 0.00 H new ATOM 0 HE3 TRP A 99 188.436 2.436 -2.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 191.085 1.352 1.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 190.053 0.583 -2.393 1.00 0.00 H new ATOM 0 HH2 TRP A 99 191.361 0.051 -0.381 1.00 0.00 H new ATOM 1533 N THR A 100 189.938 5.720 -1.319 1.00 0.00 N ATOM 1534 CA THR A 100 191.289 5.616 -1.870 1.00 0.00 C ATOM 1535 C THR A 100 191.839 4.195 -1.844 1.00 0.00 C ATOM 1536 O THR A 100 191.459 3.379 -1.009 1.00 0.00 O ATOM 1537 CB THR A 100 192.225 6.512 -1.057 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.429 6.751 -1.763 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.593 5.920 0.298 1.00 0.00 C ATOM 0 H THR A 100 189.880 5.578 -0.311 1.00 0.00 H new ATOM 0 HA THR A 100 191.234 5.927 -2.913 1.00 0.00 H new ATOM 0 HB THR A 100 191.673 7.438 -0.895 1.00 0.00 H new ATOM 0 HG1 THR A 100 194.013 7.327 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.259 6.604 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.688 5.768 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 100 193.096 4.964 0.153 1.00 0.00 H new ATOM 1547 N VAL A 101 192.787 3.934 -2.740 1.00 0.00 N ATOM 1548 CA VAL A 101 193.453 2.636 -2.801 1.00 0.00 C ATOM 1549 C VAL A 101 194.953 2.796 -2.548 1.00 0.00 C ATOM 1550 O VAL A 101 195.722 1.847 -2.706 1.00 0.00 O ATOM 1551 CB VAL A 101 193.257 1.939 -4.158 1.00 0.00 C ATOM 1552 CG1 VAL A 101 193.617 0.465 -4.048 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.825 2.107 -4.648 1.00 0.00 C ATOM 0 H VAL A 101 193.112 4.606 -3.435 1.00 0.00 H new ATOM 0 HA VAL A 101 192.998 2.017 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 101 193.920 2.406 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 101 193.474 -0.018 -5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.659 0.367 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 101 192.976 -0.012 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.708 1.606 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 101 191.139 1.667 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.601 3.168 -4.762 1.00 0.00 H new ATOM 1563 N THR A 102 195.363 4.006 -2.164 1.00 0.00 N ATOM 1564 CA THR A 102 196.769 4.297 -1.900 1.00 0.00 C ATOM 1565 C THR A 102 197.256 3.622 -0.619 1.00 0.00 C ATOM 1566 O THR A 102 198.453 3.605 -0.337 1.00 0.00 O ATOM 1567 CB THR A 102 196.984 5.807 -1.799 1.00 0.00 C ATOM 1568 OG1 THR A 102 196.390 6.474 -2.899 1.00 0.00 O ATOM 1569 CG2 THR A 102 198.445 6.200 -1.757 1.00 0.00 C ATOM 0 H THR A 102 194.738 4.801 -2.029 1.00 0.00 H new ATOM 0 HA THR A 102 197.348 3.898 -2.733 1.00 0.00 H new ATOM 0 HB THR A 102 196.517 6.104 -0.860 1.00 0.00 H new ATOM 0 HG1 THR A 102 195.443 6.640 -2.708 1.00 0.00 H new ATOM 0 HG21 THR A 102 198.528 7.284 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 102 198.920 5.741 -0.890 1.00 0.00 H new ATOM 0 HG23 THR A 102 198.940 5.857 -2.666 1.00 0.00 H new ATOM 1577 N GLU A 103 196.330 3.066 0.153 1.00 0.00 N ATOM 1578 CA GLU A 103 196.681 2.394 1.397 1.00 0.00 C ATOM 1579 C GLU A 103 196.177 0.958 1.392 1.00 0.00 C ATOM 1580 O GLU A 103 195.325 0.595 0.582 1.00 0.00 O ATOM 1581 CB GLU A 103 196.100 3.150 2.594 1.00 0.00 C ATOM 1582 CG GLU A 103 194.612 3.433 2.469 1.00 0.00 C ATOM 1583 CD GLU A 103 193.934 3.587 3.816 1.00 0.00 C ATOM 1584 OE1 GLU A 103 194.453 3.036 4.809 1.00 0.00 O ATOM 1585 OE2 GLU A 103 192.883 4.260 3.878 1.00 0.00 O ATOM 0 H GLU A 103 195.333 3.067 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 103 197.768 2.381 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 103 196.277 2.570 3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 103 196.633 4.094 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 103 194.466 4.343 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 103 194.137 2.622 1.917 1.00 0.00 H new ATOM 1592 N PHE A 104 196.700 0.143 2.300 1.00 0.00 N ATOM 1593 CA PHE A 104 196.290 -1.248 2.394 1.00 0.00 C ATOM 1594 C PHE A 104 196.110 -1.640 3.853 1.00 0.00 C ATOM 1595 O PHE A 104 197.046 -1.546 4.648 1.00 0.00 O ATOM 1596 CB PHE A 104 197.320 -2.160 1.724 1.00 0.00 C ATOM 1597 CG PHE A 104 197.138 -2.284 0.237 1.00 0.00 C ATOM 1598 CD1 PHE A 104 196.012 -2.902 -0.288 1.00 0.00 C ATOM 1599 CD2 PHE A 104 198.090 -1.784 -0.637 1.00 0.00 C ATOM 1600 CE1 PHE A 104 195.840 -3.017 -1.655 1.00 0.00 C ATOM 1601 CE2 PHE A 104 197.923 -1.895 -2.006 1.00 0.00 C ATOM 1602 CZ PHE A 104 196.797 -2.513 -2.515 1.00 0.00 C ATOM 0 H PHE A 104 197.407 0.423 2.979 1.00 0.00 H new ATOM 0 HA PHE A 104 195.339 -1.366 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 104 198.320 -1.777 1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 104 197.261 -3.152 2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 104 195.261 -3.298 0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 104 198.973 -1.302 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 104 194.959 -3.500 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 104 198.672 -1.499 -2.676 1.00 0.00 H new ATOM 0 HZ PHE A 104 196.665 -2.602 -3.583 1.00 0.00 H new ATOM 1612 N VAL A 105 194.906 -2.070 4.207 1.00 0.00 N ATOM 1613 CA VAL A 105 194.628 -2.460 5.577 1.00 0.00 C ATOM 1614 C VAL A 105 194.712 -3.973 5.741 1.00 0.00 C ATOM 1615 O VAL A 105 195.198 -4.679 4.858 1.00 0.00 O ATOM 1616 CB VAL A 105 193.247 -1.944 6.061 1.00 0.00 C ATOM 1617 CG1 VAL A 105 193.109 -0.457 5.769 1.00 0.00 C ATOM 1618 CG2 VAL A 105 192.106 -2.722 5.414 1.00 0.00 C ATOM 0 H VAL A 105 194.115 -2.156 3.569 1.00 0.00 H new ATOM 0 HA VAL A 105 195.392 -1.995 6.200 1.00 0.00 H new ATOM 0 HB VAL A 105 193.188 -2.100 7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 105 192.136 -0.107 6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 105 193.896 0.090 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 105 193.197 -0.287 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 105 191.152 -2.336 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 105 192.157 -2.610 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.192 -3.777 5.674 1.00 0.00 H new ATOM 1628 N ASN A 106 194.249 -4.459 6.882 1.00 0.00 N ATOM 1629 CA ASN A 106 194.277 -5.883 7.179 1.00 0.00 C ATOM 1630 C ASN A 106 192.884 -6.468 7.153 1.00 0.00 C ATOM 1631 O ASN A 106 191.921 -5.821 7.566 1.00 0.00 O ATOM 1632 CB ASN A 106 194.906 -6.114 8.552 1.00 0.00 C ATOM 1633 CG ASN A 106 195.661 -7.425 8.632 1.00 0.00 C ATOM 1634 OD1 ASN A 106 196.457 -7.753 7.752 1.00 0.00 O ATOM 1635 ND2 ASN A 106 195.413 -8.186 9.692 1.00 0.00 N ATOM 0 H ASN A 106 193.847 -3.884 7.622 1.00 0.00 H new ATOM 0 HA ASN A 106 194.874 -6.380 6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 106 195.586 -5.293 8.779 1.00 0.00 H new ATOM 0 HB3 ASN A 106 194.125 -6.101 9.312 1.00 0.00 H new ATOM 0 HD21 ASN A 106 195.890 -9.081 9.800 1.00 0.00 H new ATOM 0 HD22 ASN A 106 194.745 -7.875 10.398 1.00 0.00 H new ATOM 1642 N GLU A 107 192.779 -7.714 6.703 1.00 0.00 N ATOM 1643 CA GLU A 107 191.493 -8.390 6.675 1.00 0.00 C ATOM 1644 C GLU A 107 190.877 -8.345 8.072 1.00 0.00 C ATOM 1645 O GLU A 107 189.670 -8.513 8.240 1.00 0.00 O ATOM 1646 CB GLU A 107 191.654 -9.837 6.210 1.00 0.00 C ATOM 1647 CG GLU A 107 191.481 -10.016 4.711 1.00 0.00 C ATOM 1648 CD GLU A 107 191.467 -11.474 4.294 1.00 0.00 C ATOM 1649 OE1 GLU A 107 190.814 -12.282 4.986 1.00 0.00 O ATOM 1650 OE2 GLU A 107 192.110 -11.807 3.277 1.00 0.00 O ATOM 0 H GLU A 107 193.562 -8.269 6.357 1.00 0.00 H new ATOM 0 HA GLU A 107 190.835 -7.883 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 107 192.642 -10.195 6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 107 190.925 -10.460 6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 107 190.550 -9.544 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 107 192.290 -9.502 4.192 1.00 0.00 H new ATOM 1657 N ASP A 108 191.730 -8.092 9.069 1.00 0.00 N ATOM 1658 CA ASP A 108 191.287 -7.995 10.451 1.00 0.00 C ATOM 1659 C ASP A 108 190.416 -6.758 10.635 1.00 0.00 C ATOM 1660 O ASP A 108 189.523 -6.735 11.481 1.00 0.00 O ATOM 1661 CB ASP A 108 192.489 -7.935 11.395 1.00 0.00 C ATOM 1662 CG ASP A 108 192.087 -8.061 12.851 1.00 0.00 C ATOM 1663 OD1 ASP A 108 192.032 -9.203 13.355 1.00 0.00 O ATOM 1664 OD2 ASP A 108 191.827 -7.019 13.488 1.00 0.00 O ATOM 0 H ASP A 108 192.732 -7.951 8.938 1.00 0.00 H new ATOM 0 HA ASP A 108 190.700 -8.882 10.691 1.00 0.00 H new ATOM 0 HB2 ASP A 108 193.186 -8.734 11.143 1.00 0.00 H new ATOM 0 HB3 ASP A 108 193.017 -6.993 11.247 1.00 0.00 H new ATOM 1669 N GLY A 109 190.672 -5.731 9.822 1.00 0.00 N ATOM 1670 CA GLY A 109 189.889 -4.514 9.905 1.00 0.00 C ATOM 1671 C GLY A 109 190.702 -3.290 10.287 1.00 0.00 C ATOM 1672 O GLY A 109 190.145 -2.306 10.773 1.00 0.00 O ATOM 0 H GLY A 109 191.405 -5.724 9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 109 189.409 -4.335 8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 109 189.093 -4.654 10.637 1.00 0.00 H new ATOM 1676 N THR A 110 192.012 -3.328 10.054 1.00 0.00 N ATOM 1677 CA THR A 110 192.856 -2.179 10.374 1.00 0.00 C ATOM 1678 C THR A 110 193.965 -1.985 9.357 1.00 0.00 C ATOM 1679 O THR A 110 194.414 -2.925 8.712 1.00 0.00 O ATOM 1680 CB THR A 110 193.441 -2.278 11.778 1.00 0.00 C ATOM 1681 OG1 THR A 110 194.616 -3.070 11.782 1.00 0.00 O ATOM 1682 CG2 THR A 110 192.483 -2.865 12.792 1.00 0.00 C ATOM 0 H THR A 110 192.505 -4.126 9.653 1.00 0.00 H new ATOM 0 HA THR A 110 192.207 -1.304 10.336 1.00 0.00 H new ATOM 0 HB THR A 110 193.660 -1.250 12.067 1.00 0.00 H new ATOM 0 HG1 THR A 110 194.975 -3.118 12.693 1.00 0.00 H new ATOM 0 HG21 THR A 110 192.966 -2.905 13.768 1.00 0.00 H new ATOM 0 HG22 THR A 110 191.591 -2.241 12.854 1.00 0.00 H new ATOM 0 HG23 THR A 110 192.200 -3.872 12.485 1.00 0.00 H new ATOM 1690 N PRO A 111 194.402 -0.729 9.204 1.00 0.00 N ATOM 1691 CA PRO A 111 195.447 -0.348 8.250 1.00 0.00 C ATOM 1692 C PRO A 111 196.771 -1.066 8.479 1.00 0.00 C ATOM 1693 O PRO A 111 197.721 -0.485 9.005 1.00 0.00 O ATOM 1694 CB PRO A 111 195.611 1.162 8.473 1.00 0.00 C ATOM 1695 CG PRO A 111 194.346 1.597 9.133 1.00 0.00 C ATOM 1696 CD PRO A 111 193.890 0.427 9.955 1.00 0.00 C ATOM 0 HA PRO A 111 195.165 -0.619 7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 111 196.477 1.376 9.100 1.00 0.00 H new ATOM 0 HB3 PRO A 111 195.764 1.686 7.529 1.00 0.00 H new ATOM 0 HG2 PRO A 111 194.513 2.473 9.759 1.00 0.00 H new ATOM 0 HG3 PRO A 111 193.594 1.872 8.394 1.00 0.00 H new ATOM 0 HD2 PRO A 111 194.296 0.462 10.966 1.00 0.00 H new ATOM 0 HD3 PRO A 111 192.804 0.398 10.048 1.00 0.00 H new ATOM 1704 N ALA A 112 196.833 -2.328 8.072 1.00 0.00 N ATOM 1705 CA ALA A 112 198.047 -3.111 8.225 1.00 0.00 C ATOM 1706 C ALA A 112 198.080 -4.276 7.242 1.00 0.00 C ATOM 1707 O ALA A 112 197.199 -5.136 7.250 1.00 0.00 O ATOM 1708 CB ALA A 112 198.164 -3.614 9.654 1.00 0.00 C ATOM 0 H ALA A 112 196.058 -2.827 7.635 1.00 0.00 H new ATOM 0 HA ALA A 112 198.899 -2.468 8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 112 199.077 -4.200 9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 112 198.196 -2.765 10.337 1.00 0.00 H new ATOM 0 HB3 ALA A 112 197.303 -4.238 9.892 1.00 0.00 H new ATOM 1714 N ASP A 113 199.104 -4.296 6.394 1.00 0.00 N ATOM 1715 CA ASP A 113 199.256 -5.355 5.402 1.00 0.00 C ATOM 1716 C ASP A 113 200.614 -6.035 5.539 1.00 0.00 C ATOM 1717 O ASP A 113 201.587 -5.637 4.898 1.00 0.00 O ATOM 1718 CB ASP A 113 199.098 -4.783 3.992 1.00 0.00 C ATOM 1719 CG ASP A 113 199.187 -5.854 2.921 1.00 0.00 C ATOM 1720 OD1 ASP A 113 198.706 -6.980 3.166 1.00 0.00 O ATOM 1721 OD2 ASP A 113 199.736 -5.565 1.838 1.00 0.00 O ATOM 0 H ASP A 113 199.841 -3.591 6.374 1.00 0.00 H new ATOM 0 HA ASP A 113 198.479 -6.099 5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 113 198.137 -4.274 3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 113 199.870 -4.034 3.818 1.00 0.00 H new ATOM 1726 N THR A 114 200.672 -7.065 6.378 1.00 0.00 N ATOM 1727 CA THR A 114 201.911 -7.802 6.599 1.00 0.00 C ATOM 1728 C THR A 114 201.989 -9.023 5.687 1.00 0.00 C ATOM 1729 O THR A 114 201.551 -10.112 6.054 1.00 0.00 O ATOM 1730 CB THR A 114 202.016 -8.236 8.062 1.00 0.00 C ATOM 1731 OG1 THR A 114 201.211 -7.415 8.888 1.00 0.00 O ATOM 1732 CG2 THR A 114 203.430 -8.184 8.601 1.00 0.00 C ATOM 0 H THR A 114 199.876 -7.408 6.916 1.00 0.00 H new ATOM 0 HA THR A 114 202.745 -7.141 6.362 1.00 0.00 H new ATOM 0 HB THR A 114 201.674 -9.271 8.082 1.00 0.00 H new ATOM 0 HG1 THR A 114 201.291 -7.710 9.819 1.00 0.00 H new ATOM 0 HG21 THR A 114 203.434 -8.504 9.643 1.00 0.00 H new ATOM 0 HG22 THR A 114 204.067 -8.847 8.015 1.00 0.00 H new ATOM 0 HG23 THR A 114 203.808 -7.164 8.533 1.00 0.00 H new ATOM 1740 N SER A 115 202.552 -8.830 4.498 1.00 0.00 N ATOM 1741 CA SER A 115 202.687 -9.916 3.534 1.00 0.00 C ATOM 1742 C SER A 115 204.112 -9.981 2.987 1.00 0.00 C ATOM 1743 O SER A 115 204.323 -10.025 1.775 1.00 0.00 O ATOM 1744 CB SER A 115 201.693 -9.732 2.386 1.00 0.00 C ATOM 1745 OG SER A 115 201.439 -8.359 2.144 1.00 0.00 O ATOM 0 H SER A 115 202.921 -7.934 4.180 1.00 0.00 H new ATOM 0 HA SER A 115 202.470 -10.854 4.045 1.00 0.00 H new ATOM 0 HB2 SER A 115 202.087 -10.197 1.482 1.00 0.00 H new ATOM 0 HB3 SER A 115 200.759 -10.241 2.625 1.00 0.00 H new ATOM 0 HG SER A 115 200.945 -8.261 1.303 1.00 0.00 H new ATOM 1751 N LEU A 116 205.085 -9.990 3.891 1.00 0.00 N ATOM 1752 CA LEU A 116 206.489 -10.052 3.501 1.00 0.00 C ATOM 1753 C LEU A 116 207.284 -10.921 4.471 1.00 0.00 C ATOM 1754 O LEU A 116 207.912 -10.418 5.402 1.00 0.00 O ATOM 1755 CB LEU A 116 207.088 -8.645 3.452 1.00 0.00 C ATOM 1756 CG LEU A 116 208.166 -8.438 2.385 1.00 0.00 C ATOM 1757 CD1 LEU A 116 208.202 -6.985 1.937 1.00 0.00 C ATOM 1758 CD2 LEU A 116 209.527 -8.871 2.912 1.00 0.00 C ATOM 0 H LEU A 116 204.928 -9.955 4.898 1.00 0.00 H new ATOM 0 HA LEU A 116 206.546 -10.499 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 116 206.284 -7.930 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 116 207.515 -8.414 4.428 1.00 0.00 H new ATOM 0 HG LEU A 116 207.920 -9.056 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 116 208.974 -6.857 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 116 207.234 -6.709 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 116 208.424 -6.346 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 116 210.282 -8.717 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 116 209.781 -8.280 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 116 209.494 -9.927 3.182 1.00 0.00 H new ATOM 1770 N GLU A 117 207.254 -12.232 4.243 1.00 0.00 N ATOM 1771 CA GLU A 117 207.974 -13.171 5.095 1.00 0.00 C ATOM 1772 C GLU A 117 208.875 -14.080 4.263 1.00 0.00 C ATOM 1773 O GLU A 117 208.545 -14.423 3.127 1.00 0.00 O ATOM 1774 CB GLU A 117 206.986 -14.014 5.906 1.00 0.00 C ATOM 1775 CG GLU A 117 206.592 -13.381 7.230 1.00 0.00 C ATOM 1776 CD GLU A 117 207.728 -13.377 8.235 1.00 0.00 C ATOM 1777 OE1 GLU A 117 208.138 -14.472 8.671 1.00 0.00 O ATOM 1778 OE2 GLU A 117 208.207 -12.277 8.584 1.00 0.00 O ATOM 0 H GLU A 117 206.740 -12.666 3.477 1.00 0.00 H new ATOM 0 HA GLU A 117 208.600 -12.598 5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 117 206.088 -14.180 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 117 207.427 -14.992 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 117 206.263 -12.357 7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 117 205.743 -13.922 7.649 1.00 0.00 H new ATOM 1785 N PRO A 118 210.030 -14.485 4.820 1.00 0.00 N ATOM 1786 CA PRO A 118 210.977 -15.359 4.121 1.00 0.00 C ATOM 1787 C PRO A 118 210.461 -16.787 3.991 1.00 0.00 C ATOM 1788 O PRO A 118 211.223 -17.648 3.501 1.00 0.00 O ATOM 1789 CB PRO A 118 212.220 -15.317 5.013 1.00 0.00 C ATOM 1790 CG PRO A 118 211.696 -15.015 6.374 1.00 0.00 C ATOM 1791 CD PRO A 118 210.499 -14.125 6.171 1.00 0.00 C ATOM 0 HA PRO A 118 211.158 -15.030 3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 118 212.753 -16.268 4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 118 212.921 -14.552 4.680 1.00 0.00 H new ATOM 0 HG2 PRO A 118 211.417 -15.930 6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 118 212.452 -14.519 6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 118 209.732 -14.306 6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 118 210.767 -13.070 6.235 1.00 0.00 H new TER 1799 PRO A 118