USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=22 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 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 THR OG1 : rot -135:sc= -0.52 USER MOD Set 1.3: A 102 THR OG1 : rot 180:sc= 0.135 USER MOD Set 2.1: A 60 LYS NZ :NH3+ 179:sc= -0.205 (180deg=-0.206) USER MOD Set 2.2: A 65 THR OG1 : rot -150:sc= -1.58 USER MOD Set 3.1: A 39 LYS NZ :NH3+ 153:sc= -0.113 (180deg=-1.03) USER MOD Set 3.2: A 44 MET CE :methyl 148:sc= -0.0243 (180deg=-0.419) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 85:sc= 1.09 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= -0.0897 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS :FLIP no HE2:sc= -6.51! C(o=-7.7!,f=-6.5!) USER MOD Single : A 41 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.0044) USER MOD Single : A 51 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=-0.19) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.4!) USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= -0.0207 (180deg=-0.257) USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= -0.0222 (180deg=-0.224) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 84 TYR OH : rot 175:sc= -0.697 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0.00969 USER MOD Single : A 94 GLN : amide:sc= -0.187 K(o=-0.19,f=-7.8!) USER MOD Single : A 96 ASN : amide:sc= -1.37 X(o=-1.4,f=-0.96) USER MOD Single : A 106 ASN : amide:sc= -1.15 X(o=-1.2,f=-1.1) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 162.449 13.166 7.853 1.00 0.00 N ATOM 2 CA GLN A 6 163.211 12.241 6.976 1.00 0.00 C ATOM 3 C GLN A 6 164.681 12.187 7.377 1.00 0.00 C ATOM 4 O GLN A 6 165.347 13.219 7.472 1.00 0.00 O ATOM 5 CB GLN A 6 163.077 12.721 5.528 1.00 0.00 C ATOM 6 CG GLN A 6 161.680 12.546 4.957 1.00 0.00 C ATOM 7 CD GLN A 6 161.188 13.783 4.232 1.00 0.00 C ATOM 8 OE1 GLN A 6 160.342 14.520 4.741 1.00 0.00 O ATOM 9 NE2 GLN A 6 161.714 14.018 3.035 1.00 0.00 N ATOM 0 HA GLN A 6 162.805 11.235 7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 6 163.353 13.774 5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 6 163.786 12.175 4.906 1.00 0.00 H new ATOM 0 HG2 GLN A 6 161.676 11.700 4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 6 160.989 12.304 5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 6 162.412 13.381 2.651 1.00 0.00 H new ATOM 0 HE22 GLN A 6 161.420 14.835 2.500 1.00 0.00 H new ATOM 18 N TYR A 7 165.183 10.979 7.612 1.00 0.00 N ATOM 19 CA TYR A 7 166.576 10.793 8.002 1.00 0.00 C ATOM 20 C TYR A 7 167.497 10.914 6.798 1.00 0.00 C ATOM 21 O TYR A 7 167.043 11.085 5.666 1.00 0.00 O ATOM 22 CB TYR A 7 166.763 9.431 8.672 1.00 0.00 C ATOM 23 CG TYR A 7 168.118 9.233 9.313 1.00 0.00 C ATOM 24 CD1 TYR A 7 168.523 10.021 10.384 1.00 0.00 C ATOM 25 CD2 TYR A 7 168.991 8.259 8.848 1.00 0.00 C ATOM 26 CE1 TYR A 7 169.762 9.841 10.972 1.00 0.00 C ATOM 27 CE2 TYR A 7 170.230 8.075 9.430 1.00 0.00 C ATOM 28 CZ TYR A 7 170.611 8.868 10.491 1.00 0.00 C ATOM 29 OH TYR A 7 171.843 8.686 11.074 1.00 0.00 O ATOM 0 H TYR A 7 164.646 10.115 7.539 1.00 0.00 H new ATOM 0 HA TYR A 7 166.836 11.576 8.714 1.00 0.00 H new ATOM 0 HB2 TYR A 7 165.992 9.305 9.433 1.00 0.00 H new ATOM 0 HB3 TYR A 7 166.608 8.649 7.928 1.00 0.00 H new ATOM 0 HD1 TYR A 7 167.860 10.785 10.763 1.00 0.00 H new ATOM 0 HD2 TYR A 7 168.696 7.635 8.017 1.00 0.00 H new ATOM 0 HE1 TYR A 7 170.063 10.460 11.804 1.00 0.00 H new ATOM 0 HE2 TYR A 7 170.897 7.313 9.055 1.00 0.00 H new ATOM 0 HH TYR A 7 171.753 8.095 11.851 1.00 0.00 H new ATOM 39 N VAL A 8 168.791 10.825 7.055 1.00 0.00 N ATOM 40 CA VAL A 8 169.793 10.927 6.001 1.00 0.00 C ATOM 41 C VAL A 8 170.628 9.654 5.906 1.00 0.00 C ATOM 42 O VAL A 8 170.691 8.866 6.849 1.00 0.00 O ATOM 43 CB VAL A 8 170.730 12.123 6.239 1.00 0.00 C ATOM 44 CG1 VAL A 8 171.621 12.354 5.028 1.00 0.00 C ATOM 45 CG2 VAL A 8 169.932 13.374 6.571 1.00 0.00 C ATOM 0 H VAL A 8 169.176 10.682 7.988 1.00 0.00 H new ATOM 0 HA VAL A 8 169.254 11.073 5.065 1.00 0.00 H new ATOM 0 HB VAL A 8 171.369 11.894 7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 8 172.277 13.204 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 8 172.224 11.464 4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 8 171.002 12.559 4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 8 170.614 14.208 6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 8 169.264 13.610 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 8 169.345 13.202 7.473 1.00 0.00 H new ATOM 55 N VAL A 9 171.271 9.459 4.759 1.00 0.00 N ATOM 56 CA VAL A 9 172.105 8.281 4.541 1.00 0.00 C ATOM 57 C VAL A 9 173.380 8.345 5.384 1.00 0.00 C ATOM 58 O VAL A 9 174.005 9.399 5.495 1.00 0.00 O ATOM 59 CB VAL A 9 172.483 8.135 3.051 1.00 0.00 C ATOM 60 CG1 VAL A 9 173.250 9.357 2.567 1.00 0.00 C ATOM 61 CG2 VAL A 9 173.288 6.862 2.822 1.00 0.00 C ATOM 0 H VAL A 9 171.231 10.100 3.967 1.00 0.00 H new ATOM 0 HA VAL A 9 171.521 7.412 4.846 1.00 0.00 H new ATOM 0 HB VAL A 9 171.563 8.063 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 9 173.506 9.233 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 9 172.631 10.246 2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 9 174.163 9.469 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 9 173.544 6.778 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 9 174.202 6.898 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 9 172.695 5.998 3.121 1.00 0.00 H new ATOM 71 N PRO A 10 173.784 7.214 5.993 1.00 0.00 N ATOM 72 CA PRO A 10 174.988 7.156 6.828 1.00 0.00 C ATOM 73 C PRO A 10 176.269 7.354 6.026 1.00 0.00 C ATOM 74 O PRO A 10 176.231 7.751 4.861 1.00 0.00 O ATOM 75 CB PRO A 10 174.952 5.746 7.422 1.00 0.00 C ATOM 76 CG PRO A 10 174.117 4.953 6.479 1.00 0.00 C ATOM 77 CD PRO A 10 173.101 5.909 5.921 1.00 0.00 C ATOM 0 HA PRO A 10 174.992 7.950 7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 10 175.955 5.328 7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 10 174.521 5.750 8.423 1.00 0.00 H new ATOM 0 HG2 PRO A 10 174.727 4.524 5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 10 173.631 4.123 6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 10 172.829 5.654 4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 10 172.181 5.904 6.506 1.00 0.00 H new ATOM 85 N SER A 11 177.402 7.078 6.663 1.00 0.00 N ATOM 86 CA SER A 11 178.700 7.227 6.019 1.00 0.00 C ATOM 87 C SER A 11 179.296 5.874 5.646 1.00 0.00 C ATOM 88 O SER A 11 179.565 5.043 6.514 1.00 0.00 O ATOM 89 CB SER A 11 179.659 7.982 6.939 1.00 0.00 C ATOM 90 OG SER A 11 180.773 8.482 6.218 1.00 0.00 O ATOM 0 H SER A 11 177.446 6.749 7.627 1.00 0.00 H new ATOM 0 HA SER A 11 178.554 7.796 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 11 179.133 8.807 7.419 1.00 0.00 H new ATOM 0 HB3 SER A 11 180.004 7.319 7.733 1.00 0.00 H new ATOM 0 HG SER A 11 181.370 8.962 6.829 1.00 0.00 H new ATOM 96 N ALA A 12 179.497 5.658 4.349 1.00 0.00 N ATOM 97 CA ALA A 12 180.059 4.405 3.863 1.00 0.00 C ATOM 98 C ALA A 12 181.581 4.410 3.928 1.00 0.00 C ATOM 99 O ALA A 12 182.250 4.946 3.045 1.00 0.00 O ATOM 100 CB ALA A 12 179.591 4.135 2.441 1.00 0.00 C ATOM 0 H ALA A 12 179.279 6.335 3.618 1.00 0.00 H new ATOM 0 HA ALA A 12 179.703 3.606 4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 12 180.018 3.196 2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 12 178.503 4.068 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 12 179.916 4.947 1.791 1.00 0.00 H new ATOM 106 N LYS A 13 182.123 3.787 4.971 1.00 0.00 N ATOM 107 CA LYS A 13 183.569 3.699 5.139 1.00 0.00 C ATOM 108 C LYS A 13 184.112 2.550 4.298 1.00 0.00 C ATOM 109 O LYS A 13 183.397 1.589 4.028 1.00 0.00 O ATOM 110 CB LYS A 13 183.926 3.489 6.613 1.00 0.00 C ATOM 111 CG LYS A 13 184.360 4.763 7.321 1.00 0.00 C ATOM 112 CD LYS A 13 183.956 4.751 8.788 1.00 0.00 C ATOM 113 CE LYS A 13 182.917 5.817 9.092 1.00 0.00 C ATOM 114 NZ LYS A 13 181.883 5.331 10.048 1.00 0.00 N ATOM 0 H LYS A 13 181.583 3.337 5.710 1.00 0.00 H new ATOM 0 HA LYS A 13 184.021 4.633 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 13 183.063 3.071 7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 13 184.727 2.753 6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 13 185.441 4.875 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 13 183.913 5.626 6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 13 183.558 3.770 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 13 184.837 4.913 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 13 183.410 6.696 9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 13 182.436 6.129 8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 181.194 6.089 10.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 181.394 4.508 9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 182.338 5.057 10.942 1.00 0.00 H new ATOM 128 N LEU A 14 185.367 2.649 3.872 1.00 0.00 N ATOM 129 CA LEU A 14 185.960 1.602 3.049 1.00 0.00 C ATOM 130 C LEU A 14 187.443 1.410 3.347 1.00 0.00 C ATOM 131 O LEU A 14 188.114 2.306 3.858 1.00 0.00 O ATOM 132 CB LEU A 14 185.770 1.928 1.567 1.00 0.00 C ATOM 133 CG LEU A 14 184.333 2.253 1.157 1.00 0.00 C ATOM 134 CD1 LEU A 14 184.068 3.745 1.283 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.066 1.782 -0.264 1.00 0.00 C ATOM 0 H LEU A 14 185.986 3.433 4.080 1.00 0.00 H new ATOM 0 HA LEU A 14 185.449 0.670 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.405 2.776 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 14 186.118 1.081 0.976 1.00 0.00 H new ATOM 0 HG LEU A 14 183.655 1.725 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 14 183.041 3.958 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 14 184.220 4.055 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 14 184.753 4.292 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.039 2.021 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 14 184.751 2.283 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 14 184.216 0.704 -0.324 1.00 0.00 H new ATOM 147 N GLU A 15 187.943 0.223 3.009 1.00 0.00 N ATOM 148 CA GLU A 15 189.345 -0.122 3.218 1.00 0.00 C ATOM 149 C GLU A 15 189.801 -1.118 2.155 1.00 0.00 C ATOM 150 O GLU A 15 189.031 -1.990 1.747 1.00 0.00 O ATOM 151 CB GLU A 15 189.546 -0.716 4.613 1.00 0.00 C ATOM 152 CG GLU A 15 189.222 0.252 5.739 1.00 0.00 C ATOM 153 CD GLU A 15 190.111 0.056 6.951 1.00 0.00 C ATOM 154 OE1 GLU A 15 189.812 -0.840 7.768 1.00 0.00 O ATOM 155 OE2 GLU A 15 191.108 0.798 7.083 1.00 0.00 O ATOM 0 H GLU A 15 187.390 -0.522 2.585 1.00 0.00 H new ATOM 0 HA GLU A 15 189.944 0.785 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 15 188.919 -1.602 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 15 190.581 -1.044 4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 15 189.329 1.274 5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 15 188.180 0.126 6.033 1.00 0.00 H new ATOM 162 N ALA A 16 191.044 -0.983 1.695 1.00 0.00 N ATOM 163 CA ALA A 16 191.562 -1.880 0.661 1.00 0.00 C ATOM 164 C ALA A 16 192.146 -3.153 1.265 1.00 0.00 C ATOM 165 O ALA A 16 193.264 -3.157 1.772 1.00 0.00 O ATOM 166 CB ALA A 16 192.617 -1.170 -0.178 1.00 0.00 C ATOM 0 H ALA A 16 191.703 -0.273 2.015 1.00 0.00 H new ATOM 0 HA ALA A 16 190.726 -2.163 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 16 192.992 -1.850 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 16 192.174 -0.296 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.440 -0.855 0.463 1.00 0.00 H new ATOM 172 N ILE A 17 191.376 -4.235 1.197 1.00 0.00 N ATOM 173 CA ILE A 17 191.810 -5.521 1.731 1.00 0.00 C ATOM 174 C ILE A 17 192.902 -6.137 0.865 1.00 0.00 C ATOM 175 O ILE A 17 192.713 -6.352 -0.333 1.00 0.00 O ATOM 176 CB ILE A 17 190.635 -6.514 1.834 1.00 0.00 C ATOM 177 CG1 ILE A 17 189.431 -5.849 2.504 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.057 -7.757 2.603 1.00 0.00 C ATOM 179 CD1 ILE A 17 189.733 -5.295 3.879 1.00 0.00 C ATOM 0 H ILE A 17 190.447 -4.246 0.776 1.00 0.00 H new ATOM 0 HA ILE A 17 192.204 -5.329 2.729 1.00 0.00 H new ATOM 0 HB ILE A 17 190.345 -6.815 0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.071 -5.041 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 17 188.623 -6.576 2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 17 190.217 -8.448 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 17 191.886 -8.241 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 17 191.371 -7.474 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 17 188.834 -4.839 4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.064 -6.103 4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 17 190.519 -4.544 3.804 1.00 0.00 H new ATOM 191 N TYR A 18 194.045 -6.422 1.479 1.00 0.00 N ATOM 192 CA TYR A 18 195.170 -7.018 0.769 1.00 0.00 C ATOM 193 C TYR A 18 195.058 -8.543 0.766 1.00 0.00 C ATOM 194 O TYR A 18 194.639 -9.138 1.759 1.00 0.00 O ATOM 195 CB TYR A 18 196.486 -6.590 1.424 1.00 0.00 C ATOM 196 CG TYR A 18 197.703 -6.833 0.558 1.00 0.00 C ATOM 197 CD1 TYR A 18 198.050 -5.941 -0.449 1.00 0.00 C ATOM 198 CD2 TYR A 18 198.504 -7.952 0.749 1.00 0.00 C ATOM 199 CE1 TYR A 18 199.161 -6.158 -1.241 1.00 0.00 C ATOM 200 CE2 TYR A 18 199.616 -8.175 -0.040 1.00 0.00 C ATOM 201 CZ TYR A 18 199.941 -7.276 -1.033 1.00 0.00 C ATOM 202 OH TYR A 18 201.046 -7.495 -1.821 1.00 0.00 O ATOM 0 H TYR A 18 194.217 -6.249 2.469 1.00 0.00 H new ATOM 0 HA TYR A 18 195.154 -6.669 -0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 18 196.431 -5.529 1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 18 196.606 -7.129 2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 18 197.442 -5.064 -0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 18 198.253 -8.659 1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 18 199.418 -5.455 -2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 18 200.228 -9.050 0.121 1.00 0.00 H new ATOM 0 HH TYR A 18 201.486 -8.325 -1.544 1.00 0.00 H new ATOM 212 N PRO A 19 195.427 -9.205 -0.348 1.00 0.00 N ATOM 213 CA PRO A 19 195.929 -8.565 -1.556 1.00 0.00 C ATOM 214 C PRO A 19 194.837 -8.348 -2.599 1.00 0.00 C ATOM 215 O PRO A 19 195.111 -7.902 -3.713 1.00 0.00 O ATOM 216 CB PRO A 19 196.945 -9.590 -2.054 1.00 0.00 C ATOM 217 CG PRO A 19 196.419 -10.922 -1.596 1.00 0.00 C ATOM 218 CD PRO A 19 195.384 -10.659 -0.521 1.00 0.00 C ATOM 0 HA PRO A 19 196.335 -7.570 -1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 19 197.039 -9.556 -3.139 1.00 0.00 H new ATOM 0 HB3 PRO A 19 197.935 -9.395 -1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 19 195.976 -11.466 -2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 19 197.228 -11.540 -1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 19 194.394 -10.997 -0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 19 195.627 -11.180 0.405 1.00 0.00 H new ATOM 226 N ARG A 20 193.598 -8.663 -2.230 1.00 0.00 N ATOM 227 CA ARG A 20 192.472 -8.502 -3.129 1.00 0.00 C ATOM 228 C ARG A 20 191.155 -8.567 -2.363 1.00 0.00 C ATOM 229 O ARG A 20 190.636 -9.649 -2.086 1.00 0.00 O ATOM 230 CB ARG A 20 192.502 -9.570 -4.224 1.00 0.00 C ATOM 231 CG ARG A 20 193.013 -9.056 -5.559 1.00 0.00 C ATOM 232 CD ARG A 20 193.813 -10.120 -6.296 1.00 0.00 C ATOM 233 NE ARG A 20 192.955 -11.004 -7.080 1.00 0.00 N ATOM 234 CZ ARG A 20 193.399 -11.796 -8.054 1.00 0.00 C ATOM 235 NH1 ARG A 20 194.689 -11.816 -8.366 1.00 0.00 N ATOM 236 NH2 ARG A 20 192.552 -12.568 -8.718 1.00 0.00 N ATOM 0 H ARG A 20 193.354 -9.032 -1.311 1.00 0.00 H new ATOM 0 HA ARG A 20 192.550 -7.521 -3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 20 193.132 -10.397 -3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 20 191.497 -9.969 -4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 20 192.171 -8.740 -6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 20 193.637 -8.177 -5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 20 194.536 -9.639 -6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 20 194.381 -10.710 -5.577 1.00 0.00 H new ATOM 0 HE ARG A 20 191.957 -11.015 -6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 20 195.346 -11.223 -7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 20 195.024 -12.425 -9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 20 191.559 -12.556 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 20 192.892 -13.175 -9.464 1.00 0.00 H new ATOM 250 N GLY A 21 190.620 -7.399 -2.026 1.00 0.00 N ATOM 251 CA GLY A 21 189.369 -7.336 -1.295 1.00 0.00 C ATOM 252 C GLY A 21 188.970 -5.915 -0.949 1.00 0.00 C ATOM 253 O GLY A 21 189.782 -4.993 -1.050 1.00 0.00 O ATOM 0 H GLY A 21 191.032 -6.492 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 21 188.581 -7.797 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 21 189.458 -7.919 -0.378 1.00 0.00 H new ATOM 257 N LEU A 22 187.720 -5.736 -0.539 1.00 0.00 N ATOM 258 CA LEU A 22 187.215 -4.417 -0.176 1.00 0.00 C ATOM 259 C LEU A 22 186.141 -4.525 0.900 1.00 0.00 C ATOM 260 O LEU A 22 185.114 -5.176 0.701 1.00 0.00 O ATOM 261 CB LEU A 22 186.650 -3.708 -1.409 1.00 0.00 C ATOM 262 CG LEU A 22 186.713 -2.181 -1.365 1.00 0.00 C ATOM 263 CD1 LEU A 22 185.797 -1.640 -0.278 1.00 0.00 C ATOM 264 CD2 LEU A 22 188.145 -1.711 -1.144 1.00 0.00 C ATOM 0 H LEU A 22 187.037 -6.488 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 22 188.045 -3.833 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 22 187.194 -4.053 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 22 185.611 -4.010 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 22 186.370 -1.795 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 22 185.855 -0.552 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 22 184.771 -1.946 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 22 186.108 -2.034 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 22 188.170 -0.622 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 22 188.516 -2.107 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 22 188.775 -2.067 -1.959 1.00 0.00 H new ATOM 276 N ARG A 23 186.381 -3.885 2.041 1.00 0.00 N ATOM 277 CA ARG A 23 185.428 -3.913 3.146 1.00 0.00 C ATOM 278 C ARG A 23 184.770 -2.551 3.334 1.00 0.00 C ATOM 279 O ARG A 23 185.445 -1.521 3.342 1.00 0.00 O ATOM 280 CB ARG A 23 186.125 -4.342 4.440 1.00 0.00 C ATOM 281 CG ARG A 23 187.218 -3.386 4.889 1.00 0.00 C ATOM 282 CD ARG A 23 187.686 -3.698 6.301 1.00 0.00 C ATOM 283 NE ARG A 23 186.913 -2.972 7.307 1.00 0.00 N ATOM 284 CZ ARG A 23 187.296 -2.828 8.573 1.00 0.00 C ATOM 285 NH1 ARG A 23 188.438 -3.356 8.995 1.00 0.00 N ATOM 286 NH2 ARG A 23 186.534 -2.151 9.422 1.00 0.00 N ATOM 0 H ARG A 23 187.225 -3.342 2.224 1.00 0.00 H new ATOM 0 HA ARG A 23 184.652 -4.639 2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 23 185.381 -4.428 5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 23 186.556 -5.333 4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 23 188.062 -3.449 4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 23 186.847 -2.362 4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 23 187.601 -4.769 6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 23 188.741 -3.440 6.399 1.00 0.00 H new ATOM 0 HE ARG A 23 186.029 -2.551 7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 23 189.029 -3.877 8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 23 188.725 -3.241 9.967 1.00 0.00 H new ATOM 0 HH21 ARG A 23 185.656 -1.742 9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 23 186.827 -2.040 10.393 1.00 0.00 H new ATOM 300 N VAL A 24 183.446 -2.552 3.477 1.00 0.00 N ATOM 301 CA VAL A 24 182.697 -1.314 3.659 1.00 0.00 C ATOM 302 C VAL A 24 181.904 -1.331 4.964 1.00 0.00 C ATOM 303 O VAL A 24 181.560 -2.393 5.480 1.00 0.00 O ATOM 304 CB VAL A 24 181.728 -1.077 2.486 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.085 0.297 2.583 1.00 0.00 C ATOM 306 CG2 VAL A 24 182.451 -1.241 1.158 1.00 0.00 C ATOM 0 H VAL A 24 182.872 -3.395 3.470 1.00 0.00 H new ATOM 0 HA VAL A 24 183.425 -0.504 3.696 1.00 0.00 H new ATOM 0 HB VAL A 24 180.936 -1.823 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 24 180.405 0.441 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 24 180.529 0.373 3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 24 181.859 1.064 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 24 181.752 -1.070 0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 24 183.266 -0.520 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 24 182.854 -2.251 1.086 1.00 0.00 H new ATOM 316 N SER A 25 181.615 -0.142 5.490 1.00 0.00 N ATOM 317 CA SER A 25 180.861 -0.014 6.734 1.00 0.00 C ATOM 318 C SER A 25 180.006 1.252 6.722 1.00 0.00 C ATOM 319 O SER A 25 180.387 2.263 6.136 1.00 0.00 O ATOM 320 CB SER A 25 181.810 0.012 7.932 1.00 0.00 C ATOM 321 OG SER A 25 183.039 -0.624 7.623 1.00 0.00 O ATOM 0 H SER A 25 181.892 0.747 5.073 1.00 0.00 H new ATOM 0 HA SER A 25 180.203 -0.878 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 25 181.996 1.044 8.230 1.00 0.00 H new ATOM 0 HB3 SER A 25 181.342 -0.486 8.781 1.00 0.00 H new ATOM 0 HG SER A 25 183.629 -0.593 8.405 1.00 0.00 H new ATOM 327 N ILE A 26 178.846 1.185 7.370 1.00 0.00 N ATOM 328 CA ILE A 26 177.936 2.331 7.427 1.00 0.00 C ATOM 329 C ILE A 26 177.186 2.384 8.759 1.00 0.00 C ATOM 330 O ILE A 26 176.554 1.404 9.159 1.00 0.00 O ATOM 331 CB ILE A 26 176.893 2.276 6.295 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.283 0.878 6.209 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.515 2.675 4.969 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.777 0.886 6.073 1.00 0.00 C ATOM 0 H ILE A 26 178.513 0.355 7.861 1.00 0.00 H new ATOM 0 HA ILE A 26 178.556 3.221 7.317 1.00 0.00 H new ATOM 0 HB ILE A 26 176.099 2.988 6.520 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.714 0.354 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.557 0.315 7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 26 176.760 2.629 4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 26 177.903 3.691 5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.330 1.992 4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.411 -0.139 6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.336 1.382 6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.496 1.421 5.166 1.00 0.00 H new ATOM 346 N PRO A 27 177.225 3.537 9.456 1.00 0.00 N ATOM 347 CA PRO A 27 176.524 3.709 10.733 1.00 0.00 C ATOM 348 C PRO A 27 175.019 3.522 10.573 1.00 0.00 C ATOM 349 O PRO A 27 174.308 4.442 10.171 1.00 0.00 O ATOM 350 CB PRO A 27 176.847 5.151 11.140 1.00 0.00 C ATOM 351 CG PRO A 27 177.271 5.824 9.881 1.00 0.00 C ATOM 352 CD PRO A 27 177.934 4.761 9.052 1.00 0.00 C ATOM 0 HA PRO A 27 176.836 2.975 11.476 1.00 0.00 H new ATOM 0 HB2 PRO A 27 175.977 5.642 11.576 1.00 0.00 H new ATOM 0 HB3 PRO A 27 177.638 5.181 11.889 1.00 0.00 H new ATOM 0 HG2 PRO A 27 176.415 6.250 9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 27 177.959 6.644 10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 27 177.827 4.956 7.985 1.00 0.00 H new ATOM 0 HD3 PRO A 27 179.002 4.696 9.259 1.00 0.00 H new ATOM 360 N ASP A 28 174.546 2.320 10.874 1.00 0.00 N ATOM 361 CA ASP A 28 173.128 1.997 10.750 1.00 0.00 C ATOM 362 C ASP A 28 172.268 2.894 11.633 1.00 0.00 C ATOM 363 O ASP A 28 172.725 3.411 12.652 1.00 0.00 O ATOM 364 CB ASP A 28 172.882 0.532 11.113 1.00 0.00 C ATOM 365 CG ASP A 28 171.421 0.141 10.994 1.00 0.00 C ATOM 366 OD1 ASP A 28 170.725 0.700 10.121 1.00 0.00 O ATOM 367 OD2 ASP A 28 170.973 -0.727 11.774 1.00 0.00 O ATOM 0 H ASP A 28 175.125 1.549 11.207 1.00 0.00 H new ATOM 0 HA ASP A 28 172.844 2.168 9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.480 -0.106 10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.221 0.352 12.133 1.00 0.00 H new ATOM 372 N ASP A 29 171.013 3.050 11.233 1.00 0.00 N ATOM 373 CA ASP A 29 170.060 3.858 11.979 1.00 0.00 C ATOM 374 C ASP A 29 168.706 3.162 11.998 1.00 0.00 C ATOM 375 O ASP A 29 167.663 3.787 11.805 1.00 0.00 O ATOM 376 CB ASP A 29 169.930 5.251 11.359 1.00 0.00 C ATOM 377 CG ASP A 29 169.582 6.310 12.386 1.00 0.00 C ATOM 378 OD1 ASP A 29 168.447 6.281 12.907 1.00 0.00 O ATOM 379 OD2 ASP A 29 170.442 7.169 12.668 1.00 0.00 O ATOM 0 H ASP A 29 170.630 2.624 10.389 1.00 0.00 H new ATOM 0 HA ASP A 29 170.421 3.973 13.001 1.00 0.00 H new ATOM 0 HB2 ASP A 29 170.867 5.517 10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.161 5.232 10.586 1.00 0.00 H new ATOM 384 N GLY A 30 168.742 1.855 12.233 1.00 0.00 N ATOM 385 CA GLY A 30 167.533 1.071 12.276 1.00 0.00 C ATOM 386 C GLY A 30 166.917 0.870 10.906 1.00 0.00 C ATOM 387 O GLY A 30 165.699 0.947 10.750 1.00 0.00 O ATOM 0 H GLY A 30 169.598 1.325 12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 30 167.751 0.099 12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 30 166.809 1.562 12.927 1.00 0.00 H new ATOM 391 N PHE A 31 167.759 0.609 9.912 1.00 0.00 N ATOM 392 CA PHE A 31 167.283 0.395 8.552 1.00 0.00 C ATOM 393 C PHE A 31 166.872 -1.052 8.338 1.00 0.00 C ATOM 394 O PHE A 31 166.806 -1.845 9.277 1.00 0.00 O ATOM 395 CB PHE A 31 168.361 0.765 7.529 1.00 0.00 C ATOM 396 CG PHE A 31 169.017 2.089 7.793 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.252 3.219 8.032 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.397 2.201 7.802 1.00 0.00 C ATOM 399 CE1 PHE A 31 168.855 4.440 8.275 1.00 0.00 C ATOM 400 CE2 PHE A 31 171.004 3.419 8.045 1.00 0.00 C ATOM 401 CZ PHE A 31 170.232 4.538 8.282 1.00 0.00 C ATOM 0 H PHE A 31 168.771 0.541 10.023 1.00 0.00 H new ATOM 0 HA PHE A 31 166.415 1.039 8.410 1.00 0.00 H new ATOM 0 HB2 PHE A 31 169.124 -0.013 7.522 1.00 0.00 H new ATOM 0 HB3 PHE A 31 167.915 0.783 6.535 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.174 3.146 8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 31 171.005 1.328 7.617 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.250 5.315 8.459 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.081 3.495 8.049 1.00 0.00 H new ATOM 0 HZ PHE A 31 170.705 5.490 8.473 1.00 0.00 H new ATOM 411 N SER A 32 166.607 -1.381 7.084 1.00 0.00 N ATOM 412 CA SER A 32 166.209 -2.719 6.702 1.00 0.00 C ATOM 413 C SER A 32 167.021 -3.197 5.507 1.00 0.00 C ATOM 414 O SER A 32 167.248 -4.397 5.350 1.00 0.00 O ATOM 415 CB SER A 32 164.715 -2.762 6.374 1.00 0.00 C ATOM 416 OG SER A 32 164.161 -4.029 6.682 1.00 0.00 O ATOM 0 H SER A 32 166.663 -0.725 6.305 1.00 0.00 H new ATOM 0 HA SER A 32 166.401 -3.385 7.543 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.194 -1.987 6.936 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.565 -2.544 5.317 1.00 0.00 H new ATOM 0 HG SER A 32 163.205 -4.030 6.465 1.00 0.00 H new ATOM 422 N LEU A 33 167.473 -2.265 4.663 1.00 0.00 N ATOM 423 CA LEU A 33 168.270 -2.659 3.501 1.00 0.00 C ATOM 424 C LEU A 33 169.426 -1.709 3.244 1.00 0.00 C ATOM 425 O LEU A 33 169.263 -0.494 3.273 1.00 0.00 O ATOM 426 CB LEU A 33 167.420 -2.733 2.234 1.00 0.00 C ATOM 427 CG LEU A 33 168.027 -3.587 1.120 1.00 0.00 C ATOM 428 CD1 LEU A 33 167.846 -5.067 1.413 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.420 -3.230 -0.227 1.00 0.00 C ATOM 0 H LEU A 33 167.307 -1.263 4.758 1.00 0.00 H new ATOM 0 HA LEU A 33 168.666 -3.646 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.440 -3.134 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.262 -1.723 1.857 1.00 0.00 H new ATOM 0 HG LEU A 33 169.096 -3.376 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 33 168.286 -5.654 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 33 168.339 -5.315 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 33 166.783 -5.295 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.867 -3.850 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.344 -3.403 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.612 -2.180 -0.446 1.00 0.00 H new ATOM 441 N PHE A 34 170.589 -2.286 2.965 1.00 0.00 N ATOM 442 CA PHE A 34 171.782 -1.516 2.664 1.00 0.00 C ATOM 443 C PHE A 34 172.393 -1.976 1.339 1.00 0.00 C ATOM 444 O PHE A 34 173.042 -3.019 1.274 1.00 0.00 O ATOM 445 CB PHE A 34 172.807 -1.668 3.779 1.00 0.00 C ATOM 446 CG PHE A 34 174.096 -0.951 3.496 1.00 0.00 C ATOM 447 CD1 PHE A 34 174.094 0.391 3.152 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.307 -1.622 3.555 1.00 0.00 C ATOM 449 CE1 PHE A 34 175.275 1.051 2.876 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.492 -0.968 3.278 1.00 0.00 C ATOM 451 CZ PHE A 34 176.476 0.371 2.938 1.00 0.00 C ATOM 0 H PHE A 34 170.728 -3.296 2.942 1.00 0.00 H new ATOM 0 HA PHE A 34 171.499 -0.467 2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.383 -1.288 4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 34 173.013 -2.727 3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 34 173.158 0.927 3.099 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.325 -2.669 3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 34 175.260 2.098 2.612 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.429 -1.502 3.327 1.00 0.00 H new ATOM 0 HZ PHE A 34 177.401 0.885 2.721 1.00 0.00 H new ATOM 461 N ALA A 35 172.183 -1.190 0.288 1.00 0.00 N ATOM 462 CA ALA A 35 172.715 -1.513 -1.028 1.00 0.00 C ATOM 463 C ALA A 35 173.887 -0.604 -1.371 1.00 0.00 C ATOM 464 O ALA A 35 173.737 0.615 -1.453 1.00 0.00 O ATOM 465 CB ALA A 35 171.624 -1.394 -2.084 1.00 0.00 C ATOM 0 H ALA A 35 171.647 -0.323 0.324 1.00 0.00 H new ATOM 0 HA ALA A 35 173.073 -2.542 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 35 172.037 -1.638 -3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.814 -2.084 -1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 35 171.240 -0.374 -2.097 1.00 0.00 H new ATOM 471 N PHE A 36 175.057 -1.201 -1.563 1.00 0.00 N ATOM 472 CA PHE A 36 176.254 -0.438 -1.888 1.00 0.00 C ATOM 473 C PHE A 36 176.631 -0.604 -3.355 1.00 0.00 C ATOM 474 O PHE A 36 176.743 -1.722 -3.854 1.00 0.00 O ATOM 475 CB PHE A 36 177.421 -0.875 -0.997 1.00 0.00 C ATOM 476 CG PHE A 36 178.717 -0.182 -1.317 1.00 0.00 C ATOM 477 CD1 PHE A 36 178.797 1.201 -1.314 1.00 0.00 C ATOM 478 CD2 PHE A 36 179.853 -0.914 -1.620 1.00 0.00 C ATOM 479 CE1 PHE A 36 179.986 1.840 -1.608 1.00 0.00 C ATOM 480 CE2 PHE A 36 181.045 -0.281 -1.914 1.00 0.00 C ATOM 481 CZ PHE A 36 181.112 1.098 -1.908 1.00 0.00 C ATOM 0 H PHE A 36 175.202 -2.209 -1.499 1.00 0.00 H new ATOM 0 HA PHE A 36 176.039 0.615 -1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 36 177.164 -0.682 0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.560 -1.951 -1.097 1.00 0.00 H new ATOM 0 HD1 PHE A 36 177.920 1.786 -1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 36 179.806 -1.993 -1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 36 180.035 2.919 -1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 36 181.923 -0.864 -2.148 1.00 0.00 H new ATOM 0 HZ PHE A 36 182.043 1.596 -2.137 1.00 0.00 H new ATOM 491 N HIS A 37 176.828 0.522 -4.034 1.00 0.00 N ATOM 492 CA HIS A 37 177.199 0.539 -5.432 1.00 0.00 C ATOM 493 C HIS A 37 178.551 1.233 -5.574 1.00 0.00 C ATOM 494 O HIS A 37 178.734 2.326 -5.038 1.00 0.00 O ATOM 495 CB HIS A 37 176.130 1.294 -6.205 1.00 0.00 C ATOM 496 CG HIS A 37 175.277 0.416 -7.068 1.00 0.00 C ATOM 497 ND1 HIS A 37 174.594 0.679 -8.209 1.00 0.00 N flip ATOM 498 CD2 HIS A 37 175.027 -0.907 -6.773 1.00 0.00 C flip ATOM 499 CE1 HIS A 37 173.952 -0.479 -8.572 1.00 0.00 C flip ATOM 500 NE2 HIS A 37 174.230 -1.420 -7.692 1.00 0.00 N flip ATOM 0 H HIS A 37 176.732 1.450 -3.621 1.00 0.00 H new ATOM 0 HA HIS A 37 177.279 -0.474 -5.826 1.00 0.00 H new ATOM 0 HB2 HIS A 37 175.491 1.826 -5.500 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.610 2.047 -6.830 1.00 0.00 H new ATOM 0 HD1 HIS A 37 174.563 1.570 -8.705 1.00 0.00 H new ATOM 0 HD2 HIS A 37 175.422 -1.441 -5.922 1.00 0.00 H new ATOM 0 HE1 HIS A 37 173.320 -0.600 -9.440 1.00 0.00 H new ATOM 509 N GLY A 38 179.510 0.617 -6.268 1.00 0.00 N ATOM 510 CA GLY A 38 180.812 1.258 -6.385 1.00 0.00 C ATOM 511 C GLY A 38 181.528 0.996 -7.691 1.00 0.00 C ATOM 512 O GLY A 38 181.485 -0.107 -8.226 1.00 0.00 O ATOM 0 H GLY A 38 179.415 -0.284 -6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.685 2.334 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.444 0.919 -5.565 1.00 0.00 H new ATOM 516 N LYS A 39 182.210 2.026 -8.185 1.00 0.00 N ATOM 517 CA LYS A 39 182.969 1.934 -9.424 1.00 0.00 C ATOM 518 C LYS A 39 184.447 2.220 -9.164 1.00 0.00 C ATOM 519 O LYS A 39 184.799 3.268 -8.618 1.00 0.00 O ATOM 520 CB LYS A 39 182.423 2.923 -10.458 1.00 0.00 C ATOM 521 CG LYS A 39 181.511 2.285 -11.492 1.00 0.00 C ATOM 522 CD LYS A 39 181.595 3.007 -12.827 1.00 0.00 C ATOM 523 CE LYS A 39 180.245 3.041 -13.528 1.00 0.00 C ATOM 524 NZ LYS A 39 179.244 3.840 -12.768 1.00 0.00 N ATOM 0 H LYS A 39 182.251 2.942 -7.739 1.00 0.00 H new ATOM 0 HA LYS A 39 182.868 0.922 -9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.875 3.711 -9.940 1.00 0.00 H new ATOM 0 HB3 LYS A 39 183.260 3.399 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 39 181.785 1.238 -11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 39 180.482 2.302 -11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 39 181.950 4.025 -12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 39 182.325 2.510 -13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 39 180.365 3.463 -14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 39 179.876 2.023 -13.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 178.536 4.225 -13.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 178.773 3.232 -12.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 179.723 4.623 -12.279 1.00 0.00 H new ATOM 538 N LEU A 40 185.307 1.284 -9.553 1.00 0.00 N ATOM 539 CA LEU A 40 186.744 1.441 -9.357 1.00 0.00 C ATOM 540 C LEU A 40 187.351 2.304 -10.460 1.00 0.00 C ATOM 541 O LEU A 40 187.386 1.905 -11.624 1.00 0.00 O ATOM 542 CB LEU A 40 187.430 0.074 -9.330 1.00 0.00 C ATOM 543 CG LEU A 40 188.933 0.108 -9.049 1.00 0.00 C ATOM 544 CD1 LEU A 40 189.201 0.585 -7.631 1.00 0.00 C ATOM 545 CD2 LEU A 40 189.549 -1.264 -9.279 1.00 0.00 C ATOM 0 H LEU A 40 185.035 0.411 -10.005 1.00 0.00 H new ATOM 0 HA LEU A 40 186.902 1.938 -8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 40 186.948 -0.542 -8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 40 187.266 -0.416 -10.290 1.00 0.00 H new ATOM 0 HG LEU A 40 189.397 0.813 -9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 40 190.276 0.602 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 40 188.795 1.588 -7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 40 188.725 -0.093 -6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 40 190.619 -1.221 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 40 189.081 -1.989 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 40 189.389 -1.566 -10.314 1.00 0.00 H new ATOM 557 N ASN A 41 187.825 3.489 -10.087 1.00 0.00 N ATOM 558 CA ASN A 41 188.428 4.406 -11.048 1.00 0.00 C ATOM 559 C ASN A 41 187.437 4.763 -12.152 1.00 0.00 C ATOM 560 O ASN A 41 187.645 4.431 -13.319 1.00 0.00 O ATOM 561 CB ASN A 41 189.689 3.785 -11.655 1.00 0.00 C ATOM 562 CG ASN A 41 190.546 4.807 -12.377 1.00 0.00 C ATOM 563 OD1 ASN A 41 190.886 4.632 -13.547 1.00 0.00 O ATOM 564 ND2 ASN A 41 190.902 5.880 -11.680 1.00 0.00 N ATOM 0 H ASN A 41 187.803 3.836 -9.128 1.00 0.00 H new ATOM 0 HA ASN A 41 188.701 5.320 -10.521 1.00 0.00 H new ATOM 0 HB2 ASN A 41 190.276 3.315 -10.866 1.00 0.00 H new ATOM 0 HB3 ASN A 41 189.404 2.997 -12.352 1.00 0.00 H new ATOM 0 HD21 ASN A 41 191.480 6.600 -12.113 1.00 0.00 H new ATOM 0 HD22 ASN A 41 190.597 5.984 -10.712 1.00 0.00 H new ATOM 571 N GLU A 42 186.361 5.448 -11.771 1.00 0.00 N ATOM 572 CA GLU A 42 185.330 5.861 -12.712 1.00 0.00 C ATOM 573 C GLU A 42 184.166 6.498 -11.967 1.00 0.00 C ATOM 574 O GLU A 42 183.427 5.824 -11.247 1.00 0.00 O ATOM 575 CB GLU A 42 184.824 4.677 -13.538 1.00 0.00 C ATOM 576 CG GLU A 42 183.740 5.063 -14.530 1.00 0.00 C ATOM 577 CD GLU A 42 183.251 3.887 -15.353 1.00 0.00 C ATOM 578 OE1 GLU A 42 184.015 2.910 -15.502 1.00 0.00 O ATOM 579 OE2 GLU A 42 182.107 3.944 -15.848 1.00 0.00 O ATOM 0 H GLU A 42 186.182 5.729 -10.807 1.00 0.00 H new ATOM 0 HA GLU A 42 185.772 6.590 -13.392 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.661 4.234 -14.078 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.437 3.911 -12.866 1.00 0.00 H new ATOM 0 HG2 GLU A 42 182.899 5.498 -13.991 1.00 0.00 H new ATOM 0 HG3 GLU A 42 184.123 5.834 -15.198 1.00 0.00 H new ATOM 586 N GLU A 43 184.016 7.800 -12.143 1.00 0.00 N ATOM 587 CA GLU A 43 182.949 8.552 -11.490 1.00 0.00 C ATOM 588 C GLU A 43 181.582 7.946 -11.782 1.00 0.00 C ATOM 589 O GLU A 43 181.474 6.841 -12.315 1.00 0.00 O ATOM 590 CB GLU A 43 182.971 10.012 -11.940 1.00 0.00 C ATOM 591 CG GLU A 43 184.327 10.667 -11.779 1.00 0.00 C ATOM 592 CD GLU A 43 184.358 12.090 -12.302 1.00 0.00 C ATOM 593 OE1 GLU A 43 183.342 12.801 -12.149 1.00 0.00 O ATOM 594 OE2 GLU A 43 185.397 12.494 -12.866 1.00 0.00 O ATOM 0 H GLU A 43 184.623 8.365 -12.737 1.00 0.00 H new ATOM 0 HA GLU A 43 183.124 8.503 -10.415 1.00 0.00 H new ATOM 0 HB2 GLU A 43 182.670 10.067 -12.986 1.00 0.00 H new ATOM 0 HB3 GLU A 43 182.233 10.573 -11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 43 184.603 10.666 -10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 43 185.076 10.075 -12.305 1.00 0.00 H new ATOM 601 N MET A 44 180.540 8.683 -11.426 1.00 0.00 N ATOM 602 CA MET A 44 179.169 8.233 -11.640 1.00 0.00 C ATOM 603 C MET A 44 178.231 9.424 -11.808 1.00 0.00 C ATOM 604 O MET A 44 178.418 10.468 -11.184 1.00 0.00 O ATOM 605 CB MET A 44 178.699 7.360 -10.469 1.00 0.00 C ATOM 606 CG MET A 44 179.835 6.765 -9.652 1.00 0.00 C ATOM 607 SD MET A 44 179.250 5.826 -8.228 1.00 0.00 S ATOM 608 CE MET A 44 178.914 4.231 -8.975 1.00 0.00 C ATOM 0 H MET A 44 180.617 9.600 -10.985 1.00 0.00 H new ATOM 0 HA MET A 44 179.148 7.639 -12.553 1.00 0.00 H new ATOM 0 HB2 MET A 44 178.067 7.958 -9.813 1.00 0.00 H new ATOM 0 HB3 MET A 44 178.080 6.551 -10.857 1.00 0.00 H new ATOM 0 HG2 MET A 44 180.434 6.115 -10.290 1.00 0.00 H new ATOM 0 HG3 MET A 44 180.490 7.567 -9.310 1.00 0.00 H new ATOM 0 HE1 MET A 44 179.100 3.442 -8.247 1.00 0.00 H new ATOM 0 HE2 MET A 44 177.873 4.191 -9.295 1.00 0.00 H new ATOM 0 HE3 MET A 44 179.564 4.089 -9.838 1.00 0.00 H new ATOM 618 N ASP A 45 177.220 9.257 -12.651 1.00 0.00 N ATOM 619 CA ASP A 45 176.249 10.314 -12.903 1.00 0.00 C ATOM 620 C ASP A 45 174.831 9.773 -12.779 1.00 0.00 C ATOM 621 O ASP A 45 173.968 10.048 -13.614 1.00 0.00 O ATOM 622 CB ASP A 45 176.469 10.912 -14.291 1.00 0.00 C ATOM 623 CG ASP A 45 175.567 12.101 -14.561 1.00 0.00 C ATOM 624 OD1 ASP A 45 175.484 12.992 -13.691 1.00 0.00 O ATOM 625 OD2 ASP A 45 174.943 12.140 -15.642 1.00 0.00 O ATOM 0 H ASP A 45 177.051 8.397 -13.173 1.00 0.00 H new ATOM 0 HA ASP A 45 176.386 11.098 -12.158 1.00 0.00 H new ATOM 0 HB2 ASP A 45 177.510 11.220 -14.389 1.00 0.00 H new ATOM 0 HB3 ASP A 45 176.290 10.146 -15.046 1.00 0.00 H new ATOM 630 N GLY A 46 174.607 8.991 -11.733 1.00 0.00 N ATOM 631 CA GLY A 46 173.318 8.401 -11.500 1.00 0.00 C ATOM 632 C GLY A 46 173.425 7.159 -10.646 1.00 0.00 C ATOM 633 O GLY A 46 174.208 7.117 -9.696 1.00 0.00 O ATOM 0 H GLY A 46 175.312 8.756 -11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 46 172.668 9.126 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 46 172.854 8.150 -12.454 1.00 0.00 H new ATOM 637 N LEU A 47 172.636 6.149 -10.975 1.00 0.00 N ATOM 638 CA LEU A 47 172.638 4.912 -10.234 1.00 0.00 C ATOM 639 C LEU A 47 173.029 3.741 -11.128 1.00 0.00 C ATOM 640 O LEU A 47 172.187 2.929 -11.514 1.00 0.00 O ATOM 641 CB LEU A 47 171.258 4.709 -9.644 1.00 0.00 C ATOM 642 CG LEU A 47 170.790 5.866 -8.768 1.00 0.00 C ATOM 643 CD1 LEU A 47 169.278 5.843 -8.601 1.00 0.00 C ATOM 644 CD2 LEU A 47 171.485 5.814 -7.417 1.00 0.00 C ATOM 0 H LEU A 47 171.983 6.169 -11.758 1.00 0.00 H new ATOM 0 HA LEU A 47 173.376 4.962 -9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 47 170.543 4.566 -10.455 1.00 0.00 H new ATOM 0 HB3 LEU A 47 171.256 3.793 -9.053 1.00 0.00 H new ATOM 0 HG LEU A 47 171.056 6.802 -9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 47 168.969 6.678 -7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 47 168.803 5.929 -9.578 1.00 0.00 H new ATOM 0 HD13 LEU A 47 168.978 4.906 -8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 47 171.143 6.645 -6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 47 171.248 4.872 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 47 172.563 5.887 -7.559 1.00 0.00 H new ATOM 656 N GLU A 48 174.314 3.668 -11.456 1.00 0.00 N ATOM 657 CA GLU A 48 174.828 2.602 -12.310 1.00 0.00 C ATOM 658 C GLU A 48 175.388 1.453 -11.477 1.00 0.00 C ATOM 659 O GLU A 48 175.979 1.669 -10.419 1.00 0.00 O ATOM 660 CB GLU A 48 175.913 3.146 -13.242 1.00 0.00 C ATOM 661 CG GLU A 48 175.372 3.677 -14.560 1.00 0.00 C ATOM 662 CD GLU A 48 175.934 2.940 -15.761 1.00 0.00 C ATOM 663 OE1 GLU A 48 177.129 3.131 -16.069 1.00 0.00 O ATOM 664 OE2 GLU A 48 175.178 2.174 -16.394 1.00 0.00 O ATOM 0 H GLU A 48 175.020 4.335 -11.144 1.00 0.00 H new ATOM 0 HA GLU A 48 174.000 2.221 -12.907 1.00 0.00 H new ATOM 0 HB2 GLU A 48 176.452 3.944 -12.732 1.00 0.00 H new ATOM 0 HB3 GLU A 48 176.634 2.355 -13.447 1.00 0.00 H new ATOM 0 HG2 GLU A 48 174.285 3.593 -14.563 1.00 0.00 H new ATOM 0 HG3 GLU A 48 175.610 4.737 -14.645 1.00 0.00 H new ATOM 671 N ALA A 49 175.193 0.231 -11.963 1.00 0.00 N ATOM 672 CA ALA A 49 175.670 -0.960 -11.271 1.00 0.00 C ATOM 673 C ALA A 49 177.142 -0.839 -10.883 1.00 0.00 C ATOM 674 O ALA A 49 177.596 -1.474 -9.932 1.00 0.00 O ATOM 675 CB ALA A 49 175.453 -2.192 -12.136 1.00 0.00 C ATOM 0 H ALA A 49 174.705 0.040 -12.838 1.00 0.00 H new ATOM 0 HA ALA A 49 175.094 -1.061 -10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 49 175.813 -3.075 -11.608 1.00 0.00 H new ATOM 0 HB2 ALA A 49 174.390 -2.305 -12.348 1.00 0.00 H new ATOM 0 HB3 ALA A 49 176.000 -2.080 -13.072 1.00 0.00 H new ATOM 681 N GLY A 50 177.885 -0.024 -11.628 1.00 0.00 N ATOM 682 CA GLY A 50 179.298 0.159 -11.348 1.00 0.00 C ATOM 683 C GLY A 50 180.026 -1.156 -11.160 1.00 0.00 C ATOM 684 O GLY A 50 180.244 -1.897 -12.120 1.00 0.00 O ATOM 0 H GLY A 50 177.533 0.513 -12.421 1.00 0.00 H new ATOM 0 HA2 GLY A 50 179.759 0.712 -12.166 1.00 0.00 H new ATOM 0 HA3 GLY A 50 179.412 0.765 -10.449 1.00 0.00 H new ATOM 688 N HIS A 51 180.396 -1.449 -9.919 1.00 0.00 N ATOM 689 CA HIS A 51 181.096 -2.686 -9.604 1.00 0.00 C ATOM 690 C HIS A 51 180.561 -3.297 -8.316 1.00 0.00 C ATOM 691 O HIS A 51 179.777 -4.245 -8.350 1.00 0.00 O ATOM 692 CB HIS A 51 182.604 -2.443 -9.498 1.00 0.00 C ATOM 693 CG HIS A 51 183.407 -3.703 -9.388 1.00 0.00 C ATOM 694 ND1 HIS A 51 182.994 -4.907 -9.917 1.00 0.00 N ATOM 695 CD2 HIS A 51 184.607 -3.940 -8.806 1.00 0.00 C ATOM 696 CE1 HIS A 51 183.903 -5.832 -9.664 1.00 0.00 C ATOM 697 NE2 HIS A 51 184.891 -5.270 -8.991 1.00 0.00 N ATOM 0 H HIS A 51 180.222 -0.846 -9.115 1.00 0.00 H new ATOM 0 HA HIS A 51 180.919 -3.391 -10.416 1.00 0.00 H new ATOM 0 HB2 HIS A 51 182.936 -1.885 -10.374 1.00 0.00 H new ATOM 0 HB3 HIS A 51 182.803 -1.818 -8.627 1.00 0.00 H new ATOM 0 HD2 HIS A 51 185.225 -3.218 -8.293 1.00 0.00 H new ATOM 0 HE1 HIS A 51 183.848 -6.870 -9.957 1.00 0.00 H new ATOM 0 HE2 HIS A 51 185.730 -5.748 -8.662 1.00 0.00 H new ATOM 706 N TRP A 52 180.973 -2.746 -7.182 1.00 0.00 N ATOM 707 CA TRP A 52 180.512 -3.242 -5.894 1.00 0.00 C ATOM 708 C TRP A 52 179.020 -2.998 -5.749 1.00 0.00 C ATOM 709 O TRP A 52 178.603 -1.969 -5.227 1.00 0.00 O ATOM 710 CB TRP A 52 181.271 -2.563 -4.756 1.00 0.00 C ATOM 711 CG TRP A 52 182.718 -2.934 -4.721 1.00 0.00 C ATOM 712 CD1 TRP A 52 183.249 -4.102 -4.258 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.817 -2.141 -5.174 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.613 -4.084 -4.395 1.00 0.00 N ATOM 715 CE2 TRP A 52 184.988 -2.890 -4.953 1.00 0.00 C ATOM 716 CE3 TRP A 52 183.926 -0.870 -5.743 1.00 0.00 C ATOM 717 CZ2 TRP A 52 186.252 -2.408 -5.284 1.00 0.00 C ATOM 718 CZ3 TRP A 52 185.182 -0.393 -6.071 1.00 0.00 C ATOM 719 CH2 TRP A 52 186.330 -1.161 -5.841 1.00 0.00 C ATOM 0 H TRP A 52 181.621 -1.960 -7.128 1.00 0.00 H new ATOM 0 HA TRP A 52 180.703 -4.314 -5.844 1.00 0.00 H new ATOM 0 HB2 TRP A 52 181.181 -1.482 -4.860 1.00 0.00 H new ATOM 0 HB3 TRP A 52 180.809 -2.832 -3.806 1.00 0.00 H new ATOM 0 HD1 TRP A 52 182.679 -4.921 -3.844 1.00 0.00 H new ATOM 0 HE1 TRP A 52 185.246 -4.837 -4.125 1.00 0.00 H new ATOM 0 HE3 TRP A 52 183.046 -0.271 -5.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 187.139 -2.998 -5.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 185.279 0.588 -6.512 1.00 0.00 H new ATOM 0 HH2 TRP A 52 187.297 -0.761 -6.109 1.00 0.00 H new ATOM 730 N ALA A 53 178.228 -3.950 -6.231 1.00 0.00 N ATOM 731 CA ALA A 53 176.772 -3.856 -6.170 1.00 0.00 C ATOM 732 C ALA A 53 176.188 -4.995 -5.346 1.00 0.00 C ATOM 733 O ALA A 53 175.826 -6.038 -5.889 1.00 0.00 O ATOM 734 CB ALA A 53 176.183 -3.858 -7.573 1.00 0.00 C ATOM 0 H ALA A 53 178.573 -4.803 -6.672 1.00 0.00 H new ATOM 0 HA ALA A 53 176.511 -2.917 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 53 175.097 -3.787 -7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.571 -3.006 -8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 53 176.458 -4.782 -8.082 1.00 0.00 H new ATOM 740 N ARG A 54 176.112 -4.805 -4.035 1.00 0.00 N ATOM 741 CA ARG A 54 175.588 -5.838 -3.156 1.00 0.00 C ATOM 742 C ARG A 54 174.581 -5.278 -2.153 1.00 0.00 C ATOM 743 O ARG A 54 174.872 -4.328 -1.425 1.00 0.00 O ATOM 744 CB ARG A 54 176.748 -6.506 -2.426 1.00 0.00 C ATOM 745 CG ARG A 54 176.320 -7.611 -1.473 1.00 0.00 C ATOM 746 CD ARG A 54 175.818 -8.831 -2.229 1.00 0.00 C ATOM 747 NE ARG A 54 176.040 -10.067 -1.483 1.00 0.00 N ATOM 748 CZ ARG A 54 176.026 -11.279 -2.036 1.00 0.00 C ATOM 749 NH1 ARG A 54 175.804 -11.420 -3.337 1.00 0.00 N ATOM 750 NH2 ARG A 54 176.235 -12.351 -1.285 1.00 0.00 N ATOM 0 H ARG A 54 176.405 -3.951 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 54 175.058 -6.571 -3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 54 177.437 -6.921 -3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 54 177.297 -5.749 -1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 54 177.161 -7.894 -0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 54 175.535 -7.241 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 54 174.753 -8.718 -2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 54 176.323 -8.894 -3.193 1.00 0.00 H new ATOM 0 HE ARG A 54 176.216 -9.998 -0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 54 175.643 -10.598 -3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 54 175.794 -12.350 -3.755 1.00 0.00 H new ATOM 0 HH21 ARG A 54 176.406 -12.248 -0.285 1.00 0.00 H new ATOM 0 HH22 ARG A 54 176.224 -13.279 -1.707 1.00 0.00 H new ATOM 764 N ASP A 55 173.396 -5.888 -2.118 1.00 0.00 N ATOM 765 CA ASP A 55 172.336 -5.474 -1.205 1.00 0.00 C ATOM 766 C ASP A 55 172.377 -6.311 0.071 1.00 0.00 C ATOM 767 O ASP A 55 172.060 -7.498 0.055 1.00 0.00 O ATOM 768 CB ASP A 55 170.973 -5.627 -1.881 1.00 0.00 C ATOM 769 CG ASP A 55 170.833 -6.936 -2.635 1.00 0.00 C ATOM 770 OD1 ASP A 55 170.680 -7.987 -1.977 1.00 0.00 O ATOM 771 OD2 ASP A 55 170.876 -6.911 -3.883 1.00 0.00 O ATOM 0 H ASP A 55 173.147 -6.676 -2.717 1.00 0.00 H new ATOM 0 HA ASP A 55 172.491 -4.427 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 55 170.189 -5.562 -1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.820 -4.797 -2.571 1.00 0.00 H new ATOM 776 N ILE A 56 172.775 -5.685 1.175 1.00 0.00 N ATOM 777 CA ILE A 56 172.860 -6.381 2.454 1.00 0.00 C ATOM 778 C ILE A 56 171.575 -6.221 3.258 1.00 0.00 C ATOM 779 O ILE A 56 170.969 -5.148 3.273 1.00 0.00 O ATOM 780 CB ILE A 56 174.047 -5.873 3.294 1.00 0.00 C ATOM 781 CG1 ILE A 56 175.308 -5.776 2.433 1.00 0.00 C ATOM 782 CG2 ILE A 56 174.281 -6.790 4.485 1.00 0.00 C ATOM 783 CD1 ILE A 56 176.514 -5.258 3.184 1.00 0.00 C ATOM 0 H ILE A 56 173.043 -4.701 1.209 1.00 0.00 H new ATOM 0 HA ILE A 56 173.011 -7.436 2.227 1.00 0.00 H new ATOM 0 HB ILE A 56 173.809 -4.877 3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 56 175.538 -6.761 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 56 175.109 -5.121 1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 56 175.123 -6.419 5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 56 173.387 -6.812 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 56 174.501 -7.797 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 56 177.371 -5.216 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 56 176.303 -4.259 3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 56 176.739 -5.925 4.016 1.00 0.00 H new ATOM 795 N THR A 57 171.167 -7.293 3.930 1.00 0.00 N ATOM 796 CA THR A 57 169.955 -7.274 4.741 1.00 0.00 C ATOM 797 C THR A 57 170.227 -7.813 6.143 1.00 0.00 C ATOM 798 O THR A 57 169.316 -8.284 6.823 1.00 0.00 O ATOM 799 CB THR A 57 168.854 -8.100 4.073 1.00 0.00 C ATOM 800 OG1 THR A 57 169.076 -9.484 4.274 1.00 0.00 O ATOM 801 CG2 THR A 57 168.747 -7.865 2.582 1.00 0.00 C ATOM 0 H THR A 57 171.659 -8.187 3.929 1.00 0.00 H new ATOM 0 HA THR A 57 169.624 -6.239 4.826 1.00 0.00 H new ATOM 0 HB THR A 57 167.925 -7.775 4.542 1.00 0.00 H new ATOM 0 HG1 THR A 57 168.361 -9.996 3.841 1.00 0.00 H new ATOM 0 HG21 THR A 57 167.947 -8.482 2.173 1.00 0.00 H new ATOM 0 HG22 THR A 57 168.527 -6.814 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 57 169.690 -8.129 2.103 1.00 0.00 H new ATOM 809 N LYS A 58 171.484 -7.741 6.571 1.00 0.00 N ATOM 810 CA LYS A 58 171.871 -8.221 7.891 1.00 0.00 C ATOM 811 C LYS A 58 172.971 -7.347 8.488 1.00 0.00 C ATOM 812 O LYS A 58 174.158 -7.630 8.324 1.00 0.00 O ATOM 813 CB LYS A 58 172.347 -9.674 7.810 1.00 0.00 C ATOM 814 CG LYS A 58 171.230 -10.666 7.524 1.00 0.00 C ATOM 815 CD LYS A 58 171.234 -11.816 8.519 1.00 0.00 C ATOM 816 CE LYS A 58 170.190 -11.619 9.608 1.00 0.00 C ATOM 817 NZ LYS A 58 170.812 -11.299 10.923 1.00 0.00 N ATOM 0 H LYS A 58 172.251 -7.354 6.021 1.00 0.00 H new ATOM 0 HA LYS A 58 170.996 -8.167 8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 58 173.104 -9.757 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 58 172.828 -9.943 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 58 170.269 -10.154 7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 58 171.341 -11.058 6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 58 171.041 -12.752 7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 58 172.222 -11.902 8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 58 169.514 -10.814 9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 58 169.588 -12.523 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 170.067 -11.172 11.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 171.438 -12.078 11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 171.366 -10.422 10.841 1.00 0.00 H new ATOM 831 N PRO A 59 172.589 -6.264 9.186 1.00 0.00 N ATOM 832 CA PRO A 59 173.549 -5.343 9.805 1.00 0.00 C ATOM 833 C PRO A 59 174.556 -6.060 10.693 1.00 0.00 C ATOM 834 O PRO A 59 174.420 -7.248 10.978 1.00 0.00 O ATOM 835 CB PRO A 59 172.668 -4.426 10.657 1.00 0.00 C ATOM 836 CG PRO A 59 171.332 -4.467 10.001 1.00 0.00 C ATOM 837 CD PRO A 59 171.193 -5.851 9.427 1.00 0.00 C ATOM 0 HA PRO A 59 174.143 -4.821 9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 59 172.614 -4.776 11.688 1.00 0.00 H new ATOM 0 HB3 PRO A 59 173.064 -3.411 10.685 1.00 0.00 H new ATOM 0 HG2 PRO A 59 170.538 -4.261 10.719 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.258 -3.711 9.219 1.00 0.00 H new ATOM 0 HD2 PRO A 59 170.689 -6.524 10.120 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.611 -5.847 8.506 1.00 0.00 H new ATOM 845 N LYS A 60 175.557 -5.314 11.142 1.00 0.00 N ATOM 846 CA LYS A 60 176.586 -5.856 12.020 1.00 0.00 C ATOM 847 C LYS A 60 176.431 -5.267 13.417 1.00 0.00 C ATOM 848 O LYS A 60 177.412 -4.994 14.107 1.00 0.00 O ATOM 849 CB LYS A 60 177.983 -5.556 11.470 1.00 0.00 C ATOM 850 CG LYS A 60 178.954 -6.717 11.610 1.00 0.00 C ATOM 851 CD LYS A 60 178.803 -7.710 10.469 1.00 0.00 C ATOM 852 CE LYS A 60 179.933 -8.727 10.461 1.00 0.00 C ATOM 853 NZ LYS A 60 181.227 -8.115 10.055 1.00 0.00 N ATOM 0 H LYS A 60 175.678 -4.328 10.911 1.00 0.00 H new ATOM 0 HA LYS A 60 176.467 -6.938 12.071 1.00 0.00 H new ATOM 0 HB2 LYS A 60 177.900 -5.288 10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 60 178.390 -4.688 11.989 1.00 0.00 H new ATOM 0 HG2 LYS A 60 179.976 -6.338 11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 60 178.783 -7.224 12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 60 177.848 -8.227 10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 60 178.787 -7.175 9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 60 180.034 -9.165 11.454 1.00 0.00 H new ATOM 0 HE3 LYS A 60 179.685 -9.539 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 181.975 -8.837 10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 181.144 -7.734 9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 181.468 -7.345 10.712 1.00 0.00 H new ATOM 867 N GLU A 61 175.176 -5.070 13.813 1.00 0.00 N ATOM 868 CA GLU A 61 174.835 -4.507 15.117 1.00 0.00 C ATOM 869 C GLU A 61 175.053 -3.006 15.141 1.00 0.00 C ATOM 870 O GLU A 61 176.134 -2.523 15.480 1.00 0.00 O ATOM 871 CB GLU A 61 175.625 -5.184 16.241 1.00 0.00 C ATOM 872 CG GLU A 61 175.469 -6.696 16.270 1.00 0.00 C ATOM 873 CD GLU A 61 176.747 -7.408 16.671 1.00 0.00 C ATOM 874 OE1 GLU A 61 177.129 -7.317 17.856 1.00 0.00 O ATOM 875 OE2 GLU A 61 177.364 -8.055 15.798 1.00 0.00 O ATOM 0 H GLU A 61 174.365 -5.297 13.237 1.00 0.00 H new ATOM 0 HA GLU A 61 173.776 -4.699 15.287 1.00 0.00 H new ATOM 0 HB2 GLU A 61 176.681 -4.938 16.130 1.00 0.00 H new ATOM 0 HB3 GLU A 61 175.301 -4.775 17.198 1.00 0.00 H new ATOM 0 HG2 GLU A 61 174.675 -6.962 16.968 1.00 0.00 H new ATOM 0 HG3 GLU A 61 175.157 -7.044 15.285 1.00 0.00 H new ATOM 882 N GLY A 62 174.011 -2.275 14.761 1.00 0.00 N ATOM 883 CA GLY A 62 174.089 -0.833 14.724 1.00 0.00 C ATOM 884 C GLY A 62 174.940 -0.341 13.575 1.00 0.00 C ATOM 885 O GLY A 62 175.057 0.865 13.355 1.00 0.00 O ATOM 0 H GLY A 62 173.111 -2.661 14.477 1.00 0.00 H new ATOM 0 HA2 GLY A 62 173.085 -0.418 14.635 1.00 0.00 H new ATOM 0 HA3 GLY A 62 174.503 -0.468 15.664 1.00 0.00 H new ATOM 889 N ARG A 63 175.539 -1.274 12.834 1.00 0.00 N ATOM 890 CA ARG A 63 176.384 -0.907 11.701 1.00 0.00 C ATOM 891 C ARG A 63 176.501 -2.050 10.700 1.00 0.00 C ATOM 892 O ARG A 63 176.842 -3.168 11.075 1.00 0.00 O ATOM 893 CB ARG A 63 177.779 -0.508 12.191 1.00 0.00 C ATOM 894 CG ARG A 63 177.962 0.990 12.365 1.00 0.00 C ATOM 895 CD ARG A 63 178.927 1.306 13.497 1.00 0.00 C ATOM 896 NE ARG A 63 180.321 1.173 13.081 1.00 0.00 N ATOM 897 CZ ARG A 63 181.345 1.717 13.735 1.00 0.00 C ATOM 898 NH1 ARG A 63 181.136 2.429 14.835 1.00 0.00 N ATOM 899 NH2 ARG A 63 182.582 1.547 13.291 1.00 0.00 N ATOM 0 H ARG A 63 175.456 -2.278 12.996 1.00 0.00 H new ATOM 0 HA ARG A 63 175.916 -0.060 11.199 1.00 0.00 H new ATOM 0 HB2 ARG A 63 177.975 -1.002 13.143 1.00 0.00 H new ATOM 0 HB3 ARG A 63 178.522 -0.876 11.483 1.00 0.00 H new ATOM 0 HG2 ARG A 63 178.335 1.422 11.436 1.00 0.00 H new ATOM 0 HG3 ARG A 63 176.997 1.454 12.568 1.00 0.00 H new ATOM 0 HD2 ARG A 63 178.750 2.321 13.852 1.00 0.00 H new ATOM 0 HD3 ARG A 63 178.734 0.637 14.336 1.00 0.00 H new ATOM 0 HE ARG A 63 180.522 0.632 12.240 1.00 0.00 H new ATOM 0 HH11 ARG A 63 180.187 2.562 15.184 1.00 0.00 H new ATOM 0 HH12 ARG A 63 181.925 2.843 15.332 1.00 0.00 H new ATOM 0 HH21 ARG A 63 182.750 0.999 12.447 1.00 0.00 H new ATOM 0 HH22 ARG A 63 183.366 1.964 13.793 1.00 0.00 H new ATOM 913 N TRP A 64 176.251 -1.770 9.423 1.00 0.00 N ATOM 914 CA TRP A 64 176.372 -2.793 8.403 1.00 0.00 C ATOM 915 C TRP A 64 177.827 -2.950 7.996 1.00 0.00 C ATOM 916 O TRP A 64 178.610 -1.998 8.051 1.00 0.00 O ATOM 917 CB TRP A 64 175.542 -2.461 7.169 1.00 0.00 C ATOM 918 CG TRP A 64 174.129 -2.051 7.458 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.713 -0.949 8.147 1.00 0.00 C ATOM 920 CD2 TRP A 64 172.937 -2.740 7.053 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.341 -0.912 8.195 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.843 -2.000 7.531 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.689 -3.914 6.331 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.522 -2.390 7.313 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.379 -4.302 6.115 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.309 -3.540 6.606 1.00 0.00 C ATOM 0 H TRP A 64 175.967 -0.853 9.079 1.00 0.00 H new ATOM 0 HA TRP A 64 175.998 -3.724 8.828 1.00 0.00 H new ATOM 0 HB2 TRP A 64 176.035 -1.657 6.622 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.527 -3.331 6.513 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.368 -0.213 8.590 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.783 -0.190 8.652 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.507 -4.507 5.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.697 -1.804 7.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.177 -5.206 5.560 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.297 -3.868 6.422 1.00 0.00 H new ATOM 937 N THR A 65 178.176 -4.157 7.589 1.00 0.00 N ATOM 938 CA THR A 65 179.537 -4.465 7.170 1.00 0.00 C ATOM 939 C THR A 65 179.548 -5.283 5.881 1.00 0.00 C ATOM 940 O THR A 65 178.981 -6.375 5.823 1.00 0.00 O ATOM 941 CB THR A 65 180.272 -5.224 8.275 1.00 0.00 C ATOM 942 OG1 THR A 65 179.888 -4.746 9.552 1.00 0.00 O ATOM 943 CG2 THR A 65 181.778 -5.114 8.177 1.00 0.00 C ATOM 0 H THR A 65 177.533 -4.947 7.539 1.00 0.00 H new ATOM 0 HA THR A 65 180.050 -3.522 6.979 1.00 0.00 H new ATOM 0 HB THR A 65 179.991 -6.269 8.144 1.00 0.00 H new ATOM 0 HG1 THR A 65 180.633 -4.853 10.179 1.00 0.00 H new ATOM 0 HG21 THR A 65 182.238 -5.675 8.991 1.00 0.00 H new ATOM 0 HG22 THR A 65 182.111 -5.521 7.222 1.00 0.00 H new ATOM 0 HG23 THR A 65 182.072 -4.067 8.247 1.00 0.00 H new ATOM 951 N PHE A 66 180.207 -4.757 4.858 1.00 0.00 N ATOM 952 CA PHE A 66 180.306 -5.446 3.576 1.00 0.00 C ATOM 953 C PHE A 66 181.733 -5.924 3.338 1.00 0.00 C ATOM 954 O PHE A 66 182.692 -5.250 3.715 1.00 0.00 O ATOM 955 CB PHE A 66 179.864 -4.526 2.437 1.00 0.00 C ATOM 956 CG PHE A 66 179.925 -5.175 1.083 1.00 0.00 C ATOM 957 CD1 PHE A 66 179.439 -6.458 0.891 1.00 0.00 C ATOM 958 CD2 PHE A 66 180.470 -4.500 0.002 1.00 0.00 C ATOM 959 CE1 PHE A 66 179.495 -7.056 -0.353 1.00 0.00 C ATOM 960 CE2 PHE A 66 180.530 -5.094 -1.245 1.00 0.00 C ATOM 961 CZ PHE A 66 180.041 -6.375 -1.422 1.00 0.00 C ATOM 0 H PHE A 66 180.682 -3.855 4.890 1.00 0.00 H new ATOM 0 HA PHE A 66 179.645 -6.312 3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.844 -4.192 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 66 180.494 -3.637 2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 66 179.011 -6.997 1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 66 180.852 -3.499 0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 66 179.112 -8.056 -0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 66 180.958 -4.558 -2.079 1.00 0.00 H new ATOM 0 HZ PHE A 66 180.086 -6.842 -2.395 1.00 0.00 H new ATOM 971 N ARG A 67 181.872 -7.090 2.715 1.00 0.00 N ATOM 972 CA ARG A 67 183.189 -7.649 2.436 1.00 0.00 C ATOM 973 C ARG A 67 183.221 -8.331 1.072 1.00 0.00 C ATOM 974 O ARG A 67 182.504 -9.300 0.832 1.00 0.00 O ATOM 975 CB ARG A 67 183.584 -8.645 3.527 1.00 0.00 C ATOM 976 CG ARG A 67 184.452 -8.037 4.618 1.00 0.00 C ATOM 977 CD ARG A 67 184.541 -8.948 5.833 1.00 0.00 C ATOM 978 NE ARG A 67 184.577 -8.191 7.083 1.00 0.00 N ATOM 979 CZ ARG A 67 185.011 -8.687 8.238 1.00 0.00 C ATOM 980 NH1 ARG A 67 185.446 -9.940 8.310 1.00 0.00 N ATOM 981 NH2 ARG A 67 185.012 -7.930 9.327 1.00 0.00 N ATOM 0 H ARG A 67 181.092 -7.664 2.395 1.00 0.00 H new ATOM 0 HA ARG A 67 183.906 -6.828 2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 67 182.680 -9.054 3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 67 184.118 -9.478 3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 67 185.452 -7.851 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 67 184.042 -7.072 4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 67 183.686 -9.624 5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 67 185.435 -9.567 5.758 1.00 0.00 H new ATOM 0 HE ARG A 67 184.250 -7.225 7.068 1.00 0.00 H new ATOM 0 HH11 ARG A 67 185.448 -10.528 7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 67 185.778 -10.314 9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 67 184.680 -6.967 9.279 1.00 0.00 H new ATOM 0 HH22 ARG A 67 185.345 -8.311 10.213 1.00 0.00 H new ATOM 995 N ASP A 68 184.066 -7.816 0.182 1.00 0.00 N ATOM 996 CA ASP A 68 184.200 -8.373 -1.159 1.00 0.00 C ATOM 997 C ASP A 68 185.661 -8.688 -1.467 1.00 0.00 C ATOM 998 O ASP A 68 186.443 -7.793 -1.781 1.00 0.00 O ATOM 999 CB ASP A 68 183.645 -7.399 -2.199 1.00 0.00 C ATOM 1000 CG ASP A 68 183.473 -8.044 -3.561 1.00 0.00 C ATOM 1001 OD1 ASP A 68 182.447 -8.725 -3.771 1.00 0.00 O ATOM 1002 OD2 ASP A 68 184.363 -7.865 -4.419 1.00 0.00 O ATOM 0 H ASP A 68 184.668 -7.013 0.367 1.00 0.00 H new ATOM 0 HA ASP A 68 183.627 -9.299 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 68 182.683 -7.016 -1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 68 184.316 -6.544 -2.287 1.00 0.00 H new ATOM 1007 N ARG A 69 186.020 -9.966 -1.369 1.00 0.00 N ATOM 1008 CA ARG A 69 187.388 -10.407 -1.628 1.00 0.00 C ATOM 1009 C ARG A 69 187.601 -10.755 -3.102 1.00 0.00 C ATOM 1010 O ARG A 69 188.510 -11.514 -3.442 1.00 0.00 O ATOM 1011 CB ARG A 69 187.728 -11.616 -0.756 1.00 0.00 C ATOM 1012 CG ARG A 69 187.919 -11.274 0.712 1.00 0.00 C ATOM 1013 CD ARG A 69 186.811 -11.857 1.573 1.00 0.00 C ATOM 1014 NE ARG A 69 186.961 -11.494 2.981 1.00 0.00 N ATOM 1015 CZ ARG A 69 186.366 -12.140 3.981 1.00 0.00 C ATOM 1016 NH1 ARG A 69 185.578 -13.178 3.733 1.00 0.00 N ATOM 1017 NH2 ARG A 69 186.559 -11.745 5.232 1.00 0.00 N ATOM 0 H ARG A 69 185.380 -10.717 -1.111 1.00 0.00 H new ATOM 0 HA ARG A 69 188.052 -9.580 -1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 69 186.932 -12.355 -0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 69 188.639 -12.081 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 69 188.882 -11.654 1.052 1.00 0.00 H new ATOM 0 HG3 ARG A 69 187.943 -10.191 0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 69 185.846 -11.505 1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 69 186.811 -12.943 1.477 1.00 0.00 H new ATOM 0 HE ARG A 69 187.557 -10.699 3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 69 185.426 -13.485 2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 69 185.124 -13.670 4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 69 187.163 -10.947 5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 69 186.103 -12.239 5.999 1.00 0.00 H new ATOM 1031 N ASN A 70 186.761 -10.206 -3.974 1.00 0.00 N ATOM 1032 CA ASN A 70 186.867 -10.469 -5.406 1.00 0.00 C ATOM 1033 C ASN A 70 187.028 -9.170 -6.189 1.00 0.00 C ATOM 1034 O ASN A 70 186.626 -9.080 -7.348 1.00 0.00 O ATOM 1035 CB ASN A 70 185.632 -11.227 -5.898 1.00 0.00 C ATOM 1036 CG ASN A 70 185.825 -12.729 -5.863 1.00 0.00 C ATOM 1037 OD1 ASN A 70 186.817 -13.227 -5.334 1.00 0.00 O ATOM 1038 ND2 ASN A 70 184.873 -13.461 -6.431 1.00 0.00 N ATOM 0 H ASN A 70 186.001 -9.577 -3.715 1.00 0.00 H new ATOM 0 HA ASN A 70 187.752 -11.083 -5.573 1.00 0.00 H new ATOM 0 HB2 ASN A 70 184.775 -10.959 -5.281 1.00 0.00 H new ATOM 0 HB3 ASN A 70 185.400 -10.917 -6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 70 184.949 -14.478 -6.440 1.00 0.00 H new ATOM 0 HD22 ASN A 70 184.066 -13.006 -6.859 1.00 0.00 H new ATOM 1045 N ALA A 71 187.621 -8.169 -5.548 1.00 0.00 N ATOM 1046 CA ALA A 71 187.839 -6.877 -6.185 1.00 0.00 C ATOM 1047 C ALA A 71 189.325 -6.624 -6.410 1.00 0.00 C ATOM 1048 O ALA A 71 190.069 -6.356 -5.466 1.00 0.00 O ATOM 1049 CB ALA A 71 187.231 -5.766 -5.341 1.00 0.00 C ATOM 0 H ALA A 71 187.959 -8.228 -4.588 1.00 0.00 H new ATOM 0 HA ALA A 71 187.348 -6.888 -7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.400 -4.805 -5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.159 -5.935 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 71 187.697 -5.761 -4.356 1.00 0.00 H new ATOM 1055 N LYS A 72 189.753 -6.713 -7.664 1.00 0.00 N ATOM 1056 CA LYS A 72 191.152 -6.496 -8.009 1.00 0.00 C ATOM 1057 C LYS A 72 191.504 -5.013 -7.938 1.00 0.00 C ATOM 1058 O LYS A 72 191.613 -4.341 -8.962 1.00 0.00 O ATOM 1059 CB LYS A 72 191.444 -7.037 -9.410 1.00 0.00 C ATOM 1060 CG LYS A 72 192.928 -7.194 -9.702 1.00 0.00 C ATOM 1061 CD LYS A 72 193.194 -8.384 -10.610 1.00 0.00 C ATOM 1062 CE LYS A 72 192.968 -8.031 -12.071 1.00 0.00 C ATOM 1063 NZ LYS A 72 194.008 -7.097 -12.587 1.00 0.00 N ATOM 0 H LYS A 72 189.152 -6.934 -8.458 1.00 0.00 H new ATOM 0 HA LYS A 72 191.767 -7.032 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 72 190.954 -8.004 -9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 72 191.005 -6.366 -10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 72 193.306 -6.285 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 72 193.473 -7.320 -8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 72 194.220 -8.726 -10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 72 192.541 -9.211 -10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 72 192.971 -8.942 -12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 72 191.984 -7.577 -12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 194.032 -7.143 -13.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 193.782 -6.127 -12.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 194.937 -7.368 -12.207 1.00 0.00 H new ATOM 1077 N LEU A 73 191.680 -4.513 -6.720 1.00 0.00 N ATOM 1078 CA LEU A 73 192.023 -3.112 -6.511 1.00 0.00 C ATOM 1079 C LEU A 73 193.506 -2.877 -6.769 1.00 0.00 C ATOM 1080 O LEU A 73 194.287 -3.826 -6.859 1.00 0.00 O ATOM 1081 CB LEU A 73 191.667 -2.685 -5.087 1.00 0.00 C ATOM 1082 CG LEU A 73 190.226 -2.974 -4.664 1.00 0.00 C ATOM 1083 CD1 LEU A 73 190.160 -3.308 -3.182 1.00 0.00 C ATOM 1084 CD2 LEU A 73 189.329 -1.790 -4.987 1.00 0.00 C ATOM 0 H LEU A 73 191.591 -5.058 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 73 191.448 -2.511 -7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 73 192.341 -3.189 -4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 73 191.851 -1.615 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 73 189.869 -3.838 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 73 189.127 -3.510 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 73 190.770 -4.188 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 73 190.536 -2.465 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.307 -2.013 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 73 189.684 -0.908 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 73 189.351 -1.599 -6.060 1.00 0.00 H new ATOM 1096 N LYS A 74 193.893 -1.611 -6.889 1.00 0.00 N ATOM 1097 CA LYS A 74 195.287 -1.268 -7.139 1.00 0.00 C ATOM 1098 C LYS A 74 195.724 -0.075 -6.296 1.00 0.00 C ATOM 1099 O LYS A 74 194.922 0.801 -5.972 1.00 0.00 O ATOM 1100 CB LYS A 74 195.505 -0.972 -8.625 1.00 0.00 C ATOM 1101 CG LYS A 74 196.435 -1.960 -9.311 1.00 0.00 C ATOM 1102 CD LYS A 74 197.435 -1.253 -10.212 1.00 0.00 C ATOM 1103 CE LYS A 74 198.638 -0.754 -9.427 1.00 0.00 C ATOM 1104 NZ LYS A 74 199.509 -1.874 -8.974 1.00 0.00 N ATOM 0 H LYS A 74 193.265 -0.811 -6.818 1.00 0.00 H new ATOM 0 HA LYS A 74 195.898 -2.125 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 74 194.541 -0.979 -9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 74 195.914 0.033 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 74 196.969 -2.541 -8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 74 195.848 -2.665 -9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 74 197.767 -1.936 -10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 74 196.949 -0.413 -10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 74 199.218 -0.071 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 74 198.297 -0.187 -8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 200.447 -1.504 -8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 199.082 -2.332 -8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 199.607 -2.570 -9.741 1.00 0.00 H new ATOM 1118 N LEU A 75 197.002 -0.060 -5.941 1.00 0.00 N ATOM 1119 CA LEU A 75 197.568 1.010 -5.129 1.00 0.00 C ATOM 1120 C LEU A 75 197.595 2.328 -5.893 1.00 0.00 C ATOM 1121 O LEU A 75 198.043 2.388 -7.037 1.00 0.00 O ATOM 1122 CB LEU A 75 198.985 0.629 -4.688 1.00 0.00 C ATOM 1123 CG LEU A 75 199.468 1.257 -3.378 1.00 0.00 C ATOM 1124 CD1 LEU A 75 199.540 2.771 -3.501 1.00 0.00 C ATOM 1125 CD2 LEU A 75 198.561 0.853 -2.226 1.00 0.00 C ATOM 0 H LEU A 75 197.671 -0.783 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 75 196.936 1.144 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 75 199.035 -0.455 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.679 0.909 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 75 200.472 0.886 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 75 199.885 3.197 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 75 200.235 3.039 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 75 198.551 3.164 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 75 198.920 1.309 -1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 75 197.545 1.192 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 75 198.567 -0.232 -2.121 1.00 0.00 H new ATOM 1137 N GLY A 76 197.109 3.383 -5.246 1.00 0.00 N ATOM 1138 CA GLY A 76 197.083 4.690 -5.870 1.00 0.00 C ATOM 1139 C GLY A 76 195.766 4.976 -6.563 1.00 0.00 C ATOM 1140 O GLY A 76 195.381 6.133 -6.723 1.00 0.00 O ATOM 0 H GLY A 76 196.732 3.354 -4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 76 197.265 5.454 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.894 4.759 -6.595 1.00 0.00 H new ATOM 1144 N ASP A 77 195.080 3.917 -6.981 1.00 0.00 N ATOM 1145 CA ASP A 77 193.806 4.054 -7.664 1.00 0.00 C ATOM 1146 C ASP A 77 192.795 4.803 -6.802 1.00 0.00 C ATOM 1147 O ASP A 77 192.930 4.867 -5.578 1.00 0.00 O ATOM 1148 CB ASP A 77 193.257 2.676 -8.037 1.00 0.00 C ATOM 1149 CG ASP A 77 192.128 2.757 -9.046 1.00 0.00 C ATOM 1150 OD1 ASP A 77 190.973 2.983 -8.628 1.00 0.00 O ATOM 1151 OD2 ASP A 77 192.398 2.593 -10.254 1.00 0.00 O ATOM 0 H ASP A 77 195.389 2.953 -6.856 1.00 0.00 H new ATOM 0 HA ASP A 77 193.972 4.633 -8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 77 194.062 2.065 -8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.901 2.174 -7.137 1.00 0.00 H new ATOM 1156 N LYS A 78 191.781 5.364 -7.451 1.00 0.00 N ATOM 1157 CA LYS A 78 190.738 6.105 -6.754 1.00 0.00 C ATOM 1158 C LYS A 78 189.427 5.325 -6.765 1.00 0.00 C ATOM 1159 O LYS A 78 189.250 4.399 -7.554 1.00 0.00 O ATOM 1160 CB LYS A 78 190.540 7.475 -7.403 1.00 0.00 C ATOM 1161 CG LYS A 78 190.056 8.545 -6.434 1.00 0.00 C ATOM 1162 CD LYS A 78 191.112 9.614 -6.199 1.00 0.00 C ATOM 1163 CE LYS A 78 191.397 9.805 -4.718 1.00 0.00 C ATOM 1164 NZ LYS A 78 192.419 8.843 -4.220 1.00 0.00 N ATOM 0 H LYS A 78 191.660 5.319 -8.463 1.00 0.00 H new ATOM 0 HA LYS A 78 191.049 6.246 -5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.482 7.797 -7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.821 7.382 -8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 78 189.151 9.008 -6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 78 189.790 8.082 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 78 192.032 9.337 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 78 190.777 10.558 -6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 78 191.742 10.824 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 78 190.474 9.680 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 192.585 9.006 -3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 192.079 7.871 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 193.308 8.979 -4.742 1.00 0.00 H new ATOM 1178 N ILE A 79 188.521 5.696 -5.871 1.00 0.00 N ATOM 1179 CA ILE A 79 187.232 5.025 -5.757 1.00 0.00 C ATOM 1180 C ILE A 79 186.058 5.990 -5.931 1.00 0.00 C ATOM 1181 O ILE A 79 186.151 7.169 -5.594 1.00 0.00 O ATOM 1182 CB ILE A 79 187.109 4.235 -4.437 1.00 0.00 C ATOM 1183 CG1 ILE A 79 187.938 2.942 -4.551 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.647 3.938 -4.112 1.00 0.00 C ATOM 1185 CD1 ILE A 79 187.184 1.670 -4.209 1.00 0.00 C ATOM 0 H ILE A 79 188.655 6.462 -5.211 1.00 0.00 H new ATOM 0 HA ILE A 79 187.186 4.309 -6.577 1.00 0.00 H new ATOM 0 HB ILE A 79 187.499 4.834 -3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 79 188.318 2.860 -5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 79 188.803 3.023 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.588 3.381 -3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 79 185.099 4.875 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 79 185.209 3.346 -4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 79 187.848 0.813 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 79 186.827 1.724 -3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 79 186.334 1.558 -4.883 1.00 0.00 H new ATOM 1197 N TYR A 80 184.946 5.461 -6.432 1.00 0.00 N ATOM 1198 CA TYR A 80 183.727 6.240 -6.632 1.00 0.00 C ATOM 1199 C TYR A 80 182.518 5.354 -6.347 1.00 0.00 C ATOM 1200 O TYR A 80 182.447 4.231 -6.847 1.00 0.00 O ATOM 1201 CB TYR A 80 183.663 6.783 -8.060 1.00 0.00 C ATOM 1202 CG TYR A 80 184.819 7.692 -8.413 1.00 0.00 C ATOM 1203 CD1 TYR A 80 186.042 7.166 -8.814 1.00 0.00 C ATOM 1204 CD2 TYR A 80 184.691 9.073 -8.343 1.00 0.00 C ATOM 1205 CE1 TYR A 80 187.103 7.993 -9.136 1.00 0.00 C ATOM 1206 CE2 TYR A 80 185.746 9.906 -8.666 1.00 0.00 C ATOM 1207 CZ TYR A 80 186.949 9.360 -9.060 1.00 0.00 C ATOM 1208 OH TYR A 80 188.002 10.185 -9.380 1.00 0.00 O ATOM 0 H TYR A 80 184.864 4.483 -6.710 1.00 0.00 H new ATOM 0 HA TYR A 80 183.727 7.090 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.643 5.946 -8.758 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.729 7.329 -8.191 1.00 0.00 H new ATOM 0 HD1 TYR A 80 186.166 6.095 -8.875 1.00 0.00 H new ATOM 0 HD2 TYR A 80 183.751 9.504 -8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 80 188.047 7.569 -9.445 1.00 0.00 H new ATOM 0 HE2 TYR A 80 185.628 10.978 -8.610 1.00 0.00 H new ATOM 0 HH TYR A 80 187.728 11.120 -9.276 1.00 0.00 H new ATOM 1218 N PHE A 81 181.578 5.828 -5.528 1.00 0.00 N ATOM 1219 CA PHE A 81 180.416 5.005 -5.200 1.00 0.00 C ATOM 1220 C PHE A 81 179.244 5.803 -4.651 1.00 0.00 C ATOM 1221 O PHE A 81 179.296 7.024 -4.500 1.00 0.00 O ATOM 1222 CB PHE A 81 180.799 3.949 -4.161 1.00 0.00 C ATOM 1223 CG PHE A 81 181.709 4.469 -3.081 1.00 0.00 C ATOM 1224 CD1 PHE A 81 181.339 5.566 -2.318 1.00 0.00 C ATOM 1225 CD2 PHE A 81 182.930 3.864 -2.829 1.00 0.00 C ATOM 1226 CE1 PHE A 81 182.168 6.050 -1.325 1.00 0.00 C ATOM 1227 CE2 PHE A 81 183.763 4.344 -1.836 1.00 0.00 C ATOM 1228 CZ PHE A 81 183.381 5.438 -1.083 1.00 0.00 C ATOM 0 H PHE A 81 181.596 6.750 -5.091 1.00 0.00 H new ATOM 0 HA PHE A 81 180.100 4.548 -6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.891 3.557 -3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 81 181.287 3.115 -4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 81 180.390 6.048 -2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 81 183.234 3.009 -3.414 1.00 0.00 H new ATOM 0 HE1 PHE A 81 181.867 6.906 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 81 184.712 3.864 -1.649 1.00 0.00 H new ATOM 0 HZ PHE A 81 184.031 5.813 -0.306 1.00 0.00 H new ATOM 1238 N TRP A 82 178.195 5.055 -4.320 1.00 0.00 N ATOM 1239 CA TRP A 82 176.980 5.601 -3.737 1.00 0.00 C ATOM 1240 C TRP A 82 176.286 4.504 -2.937 1.00 0.00 C ATOM 1241 O TRP A 82 176.146 3.378 -3.416 1.00 0.00 O ATOM 1242 CB TRP A 82 176.052 6.173 -4.813 1.00 0.00 C ATOM 1243 CG TRP A 82 175.452 5.147 -5.724 1.00 0.00 C ATOM 1244 CD1 TRP A 82 176.016 4.624 -6.851 1.00 0.00 C ATOM 1245 CD2 TRP A 82 174.164 4.534 -5.598 1.00 0.00 C ATOM 1246 NE1 TRP A 82 175.159 3.724 -7.434 1.00 0.00 N ATOM 1247 CE2 TRP A 82 174.015 3.648 -6.681 1.00 0.00 C ATOM 1248 CE3 TRP A 82 173.122 4.646 -4.671 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.866 2.881 -6.865 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.984 3.884 -4.855 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.864 3.012 -5.943 1.00 0.00 C ATOM 0 H TRP A 82 178.167 4.044 -4.451 1.00 0.00 H new ATOM 0 HA TRP A 82 177.238 6.427 -3.074 1.00 0.00 H new ATOM 0 HB2 TRP A 82 175.247 6.723 -4.326 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.611 6.891 -5.413 1.00 0.00 H new ATOM 0 HD1 TRP A 82 176.994 4.881 -7.229 1.00 0.00 H new ATOM 0 HE1 TRP A 82 175.343 3.198 -8.288 1.00 0.00 H new ATOM 0 HE3 TRP A 82 173.206 5.315 -3.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.770 2.208 -7.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 171.173 3.963 -4.147 1.00 0.00 H new ATOM 0 HH2 TRP A 82 170.961 2.430 -6.057 1.00 0.00 H new ATOM 1262 N THR A 83 175.878 4.815 -1.710 1.00 0.00 N ATOM 1263 CA THR A 83 175.235 3.810 -0.861 1.00 0.00 C ATOM 1264 C THR A 83 173.724 3.962 -0.869 1.00 0.00 C ATOM 1265 O THR A 83 173.209 4.993 -1.273 1.00 0.00 O ATOM 1266 CB THR A 83 175.762 3.902 0.571 1.00 0.00 C ATOM 1267 OG1 THR A 83 176.279 5.193 0.833 1.00 0.00 O ATOM 1268 CG2 THR A 83 176.855 2.901 0.870 1.00 0.00 C ATOM 0 H THR A 83 175.977 5.737 -1.285 1.00 0.00 H new ATOM 0 HA THR A 83 175.480 2.829 -1.269 1.00 0.00 H new ATOM 0 HB THR A 83 174.906 3.683 1.209 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.610 5.232 1.755 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.185 3.020 1.902 1.00 0.00 H new ATOM 0 HG22 THR A 83 176.473 1.891 0.725 1.00 0.00 H new ATOM 0 HG23 THR A 83 177.697 3.070 0.199 1.00 0.00 H new ATOM 1276 N TYR A 84 173.020 2.923 -0.433 1.00 0.00 N ATOM 1277 CA TYR A 84 171.566 2.948 -0.403 1.00 0.00 C ATOM 1278 C TYR A 84 171.037 2.193 0.812 1.00 0.00 C ATOM 1279 O TYR A 84 171.323 1.013 0.988 1.00 0.00 O ATOM 1280 CB TYR A 84 171.024 2.322 -1.684 1.00 0.00 C ATOM 1281 CG TYR A 84 169.516 2.302 -1.770 1.00 0.00 C ATOM 1282 CD1 TYR A 84 168.781 3.477 -1.681 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.825 1.109 -1.945 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.402 3.465 -1.763 1.00 0.00 C ATOM 1285 CE2 TYR A 84 167.447 1.089 -2.029 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.738 2.269 -1.937 1.00 0.00 C ATOM 1287 OH TYR A 84 165.365 2.253 -2.021 1.00 0.00 O ATOM 0 H TYR A 84 173.435 2.054 -0.096 1.00 0.00 H new ATOM 0 HA TYR A 84 171.232 3.983 -0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 84 171.419 2.871 -2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 84 171.395 1.300 -1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 84 169.296 4.416 -1.545 1.00 0.00 H new ATOM 0 HD2 TYR A 84 169.375 0.182 -2.016 1.00 0.00 H new ATOM 0 HE1 TYR A 84 166.846 4.388 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 84 166.926 0.153 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 84 165.060 1.344 -2.224 1.00 0.00 H new ATOM 1297 N VAL A 85 170.260 2.872 1.647 1.00 0.00 N ATOM 1298 CA VAL A 85 169.694 2.246 2.839 1.00 0.00 C ATOM 1299 C VAL A 85 168.167 2.246 2.763 1.00 0.00 C ATOM 1300 O VAL A 85 167.586 2.984 1.972 1.00 0.00 O ATOM 1301 CB VAL A 85 170.168 2.948 4.150 1.00 0.00 C ATOM 1302 CG1 VAL A 85 171.015 4.175 3.843 1.00 0.00 C ATOM 1303 CG2 VAL A 85 168.998 3.335 5.050 1.00 0.00 C ATOM 0 H VAL A 85 170.007 3.852 1.523 1.00 0.00 H new ATOM 0 HA VAL A 85 170.054 1.218 2.869 1.00 0.00 H new ATOM 0 HB VAL A 85 170.779 2.223 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 85 171.330 4.642 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 85 171.894 3.877 3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.428 4.886 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 85 169.376 3.820 5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 85 168.340 4.021 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.441 2.440 5.327 1.00 0.00 H new ATOM 1313 N ILE A 86 167.529 1.424 3.595 1.00 0.00 N ATOM 1314 CA ILE A 86 166.070 1.345 3.634 1.00 0.00 C ATOM 1315 C ILE A 86 165.576 1.308 5.068 1.00 0.00 C ATOM 1316 O ILE A 86 165.752 0.311 5.761 1.00 0.00 O ATOM 1317 CB ILE A 86 165.532 0.098 2.910 1.00 0.00 C ATOM 1318 CG1 ILE A 86 166.075 0.040 1.491 1.00 0.00 C ATOM 1319 CG2 ILE A 86 164.009 0.100 2.899 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.590 1.161 0.609 1.00 0.00 C ATOM 0 H ILE A 86 168.001 0.803 4.252 1.00 0.00 H new ATOM 0 HA ILE A 86 165.702 2.235 3.123 1.00 0.00 H new ATOM 0 HB ILE A 86 165.868 -0.788 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 86 167.164 0.064 1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 86 165.792 -0.912 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.648 -0.789 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.638 0.101 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.650 0.990 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 86 166.019 1.052 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.503 1.126 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 86 165.896 2.117 1.034 1.00 0.00 H new ATOM 1332 N LYS A 87 164.955 2.396 5.499 1.00 0.00 N ATOM 1333 CA LYS A 87 164.427 2.497 6.855 1.00 0.00 C ATOM 1334 C LYS A 87 162.909 2.330 6.866 1.00 0.00 C ATOM 1335 O LYS A 87 162.169 3.297 7.041 1.00 0.00 O ATOM 1336 CB LYS A 87 164.807 3.845 7.470 1.00 0.00 C ATOM 1337 CG LYS A 87 164.844 3.834 8.990 1.00 0.00 C ATOM 1338 CD LYS A 87 164.994 5.236 9.553 1.00 0.00 C ATOM 1339 CE LYS A 87 163.652 5.821 9.961 1.00 0.00 C ATOM 1340 NZ LYS A 87 163.790 6.816 11.060 1.00 0.00 N ATOM 0 H LYS A 87 164.803 3.227 4.927 1.00 0.00 H new ATOM 0 HA LYS A 87 164.865 1.695 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 87 165.786 4.143 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 87 164.094 4.600 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 87 163.929 3.383 9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 87 165.673 3.213 9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 87 165.659 5.213 10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 87 165.461 5.880 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 87 163.186 6.296 9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 87 162.988 5.018 10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 162.852 7.191 11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 164.211 6.357 11.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 164.403 7.596 10.747 1.00 0.00 H new ATOM 1354 N ASP A 88 162.452 1.094 6.685 1.00 0.00 N ATOM 1355 CA ASP A 88 161.021 0.802 6.678 1.00 0.00 C ATOM 1356 C ASP A 88 160.301 1.608 5.600 1.00 0.00 C ATOM 1357 O ASP A 88 159.270 2.230 5.860 1.00 0.00 O ATOM 1358 CB ASP A 88 160.417 1.107 8.051 1.00 0.00 C ATOM 1359 CG ASP A 88 159.354 0.105 8.453 1.00 0.00 C ATOM 1360 OD1 ASP A 88 158.804 -0.571 7.556 1.00 0.00 O ATOM 1361 OD2 ASP A 88 159.069 -0.005 9.664 1.00 0.00 O ATOM 0 H ASP A 88 163.050 0.280 6.542 1.00 0.00 H new ATOM 0 HA ASP A 88 160.891 -0.257 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 88 161.209 1.112 8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 88 159.983 2.107 8.040 1.00 0.00 H new ATOM 1366 N GLY A 89 160.851 1.593 4.390 1.00 0.00 N ATOM 1367 CA GLY A 89 160.246 2.328 3.293 1.00 0.00 C ATOM 1368 C GLY A 89 160.721 3.766 3.232 1.00 0.00 C ATOM 1369 O GLY A 89 159.989 4.652 2.792 1.00 0.00 O ATOM 0 H GLY A 89 161.703 1.086 4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.481 1.830 2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 89 159.162 2.310 3.401 1.00 0.00 H new ATOM 1373 N LEU A 90 161.952 3.995 3.674 1.00 0.00 N ATOM 1374 CA LEU A 90 162.538 5.332 3.675 1.00 0.00 C ATOM 1375 C LEU A 90 164.018 5.253 3.356 1.00 0.00 C ATOM 1376 O LEU A 90 164.867 5.361 4.241 1.00 0.00 O ATOM 1377 CB LEU A 90 162.324 6.002 5.028 1.00 0.00 C ATOM 1378 CG LEU A 90 160.962 5.722 5.652 1.00 0.00 C ATOM 1379 CD1 LEU A 90 160.942 6.143 7.114 1.00 0.00 C ATOM 1380 CD2 LEU A 90 159.873 6.433 4.866 1.00 0.00 C ATOM 0 H LEU A 90 162.568 3.268 4.039 1.00 0.00 H new ATOM 0 HA LEU A 90 162.046 5.931 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 90 163.102 5.667 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 90 162.444 7.079 4.911 1.00 0.00 H new ATOM 0 HG LEU A 90 160.773 4.649 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 90 159.960 5.934 7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 90 161.701 5.587 7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 90 161.150 7.210 7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 90 158.903 6.227 5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 90 160.058 7.507 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 90 159.875 6.076 3.836 1.00 0.00 H new ATOM 1392 N GLY A 91 164.314 5.030 2.087 1.00 0.00 N ATOM 1393 CA GLY A 91 165.682 4.898 1.663 1.00 0.00 C ATOM 1394 C GLY A 91 166.416 6.212 1.498 1.00 0.00 C ATOM 1395 O GLY A 91 165.811 7.269 1.322 1.00 0.00 O ATOM 0 H GLY A 91 163.624 4.938 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 91 166.217 4.286 2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.705 4.361 0.715 1.00 0.00 H new ATOM 1399 N TYR A 92 167.739 6.116 1.543 1.00 0.00 N ATOM 1400 CA TYR A 92 168.625 7.264 1.386 1.00 0.00 C ATOM 1401 C TYR A 92 169.954 6.788 0.813 1.00 0.00 C ATOM 1402 O TYR A 92 170.350 5.646 1.046 1.00 0.00 O ATOM 1403 CB TYR A 92 168.846 7.960 2.729 1.00 0.00 C ATOM 1404 CG TYR A 92 167.564 8.283 3.463 1.00 0.00 C ATOM 1405 CD1 TYR A 92 166.759 9.340 3.059 1.00 0.00 C ATOM 1406 CD2 TYR A 92 167.161 7.532 4.561 1.00 0.00 C ATOM 1407 CE1 TYR A 92 165.586 9.640 3.727 1.00 0.00 C ATOM 1408 CE2 TYR A 92 165.989 7.826 5.233 1.00 0.00 C ATOM 1409 CZ TYR A 92 165.206 8.880 4.814 1.00 0.00 C ATOM 1410 OH TYR A 92 164.040 9.176 5.482 1.00 0.00 O ATOM 0 H TYR A 92 168.231 5.235 1.690 1.00 0.00 H new ATOM 0 HA TYR A 92 168.168 7.983 0.705 1.00 0.00 H new ATOM 0 HB2 TYR A 92 169.466 7.324 3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 92 169.402 8.883 2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 92 167.054 9.938 2.209 1.00 0.00 H new ATOM 0 HD2 TYR A 92 167.772 6.706 4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 92 164.971 10.465 3.400 1.00 0.00 H new ATOM 0 HE2 TYR A 92 165.688 7.232 6.083 1.00 0.00 H new ATOM 0 HH TYR A 92 163.918 8.545 6.222 1.00 0.00 H new ATOM 1420 N ARG A 93 170.643 7.634 0.051 1.00 0.00 N ATOM 1421 CA ARG A 93 171.904 7.225 -0.538 1.00 0.00 C ATOM 1422 C ARG A 93 173.008 8.239 -0.327 1.00 0.00 C ATOM 1423 O ARG A 93 172.779 9.449 -0.325 1.00 0.00 O ATOM 1424 CB ARG A 93 171.739 6.985 -2.035 1.00 0.00 C ATOM 1425 CG ARG A 93 171.354 8.232 -2.816 1.00 0.00 C ATOM 1426 CD ARG A 93 169.853 8.458 -2.799 1.00 0.00 C ATOM 1427 NE ARG A 93 169.370 9.029 -4.054 1.00 0.00 N ATOM 1428 CZ ARG A 93 168.206 9.663 -4.183 1.00 0.00 C ATOM 1429 NH1 ARG A 93 167.401 9.805 -3.137 1.00 0.00 N ATOM 1430 NH2 ARG A 93 167.845 10.153 -5.360 1.00 0.00 N ATOM 0 H ARG A 93 170.353 8.587 -0.167 1.00 0.00 H new ATOM 0 HA ARG A 93 172.192 6.303 -0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.673 6.590 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.977 6.221 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 93 171.858 9.099 -2.390 1.00 0.00 H new ATOM 0 HG3 ARG A 93 171.697 8.138 -3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 93 169.346 7.511 -2.613 1.00 0.00 H new ATOM 0 HD3 ARG A 93 169.596 9.124 -1.975 1.00 0.00 H new ATOM 0 HE ARG A 93 169.960 8.937 -4.881 1.00 0.00 H new ATOM 0 HH11 ARG A 93 167.673 9.428 -2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 93 166.511 10.291 -3.241 1.00 0.00 H new ATOM 0 HH21 ARG A 93 168.459 10.045 -6.167 1.00 0.00 H new ATOM 0 HH22 ARG A 93 166.953 10.639 -5.459 1.00 0.00 H new ATOM 1444 N GLN A 94 174.221 7.723 -0.203 1.00 0.00 N ATOM 1445 CA GLN A 94 175.397 8.553 -0.054 1.00 0.00 C ATOM 1446 C GLN A 94 176.176 8.499 -1.352 1.00 0.00 C ATOM 1447 O GLN A 94 177.205 7.828 -1.447 1.00 0.00 O ATOM 1448 CB GLN A 94 176.273 8.082 1.107 1.00 0.00 C ATOM 1449 CG GLN A 94 177.213 9.160 1.620 1.00 0.00 C ATOM 1450 CD GLN A 94 178.522 8.594 2.133 1.00 0.00 C ATOM 1451 OE1 GLN A 94 178.538 7.636 2.907 1.00 0.00 O ATOM 1452 NE2 GLN A 94 179.633 9.183 1.702 1.00 0.00 N ATOM 0 H GLN A 94 174.413 6.721 -0.203 1.00 0.00 H new ATOM 0 HA GLN A 94 175.091 9.575 0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.634 7.747 1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.858 7.220 0.786 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.417 9.870 0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 94 176.722 9.714 2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 94 179.575 9.974 1.061 1.00 0.00 H new ATOM 0 HE22 GLN A 94 180.543 8.844 2.012 1.00 0.00 H new ATOM 1461 N ASP A 95 175.646 9.175 -2.364 1.00 0.00 N ATOM 1462 CA ASP A 95 176.261 9.188 -3.682 1.00 0.00 C ATOM 1463 C ASP A 95 177.327 10.265 -3.789 1.00 0.00 C ATOM 1464 O ASP A 95 177.593 10.994 -2.833 1.00 0.00 O ATOM 1465 CB ASP A 95 175.201 9.405 -4.761 1.00 0.00 C ATOM 1466 CG ASP A 95 174.472 10.724 -4.601 1.00 0.00 C ATOM 1467 OD1 ASP A 95 175.122 11.782 -4.734 1.00 0.00 O ATOM 1468 OD2 ASP A 95 173.250 10.699 -4.342 1.00 0.00 O ATOM 0 H ASP A 95 174.788 9.723 -2.295 1.00 0.00 H new ATOM 0 HA ASP A 95 176.738 8.219 -3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.674 9.372 -5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.480 8.588 -4.727 1.00 0.00 H new ATOM 1473 N ASN A 96 177.940 10.350 -4.962 1.00 0.00 N ATOM 1474 CA ASN A 96 178.986 11.327 -5.209 1.00 0.00 C ATOM 1475 C ASN A 96 180.164 11.101 -4.263 1.00 0.00 C ATOM 1476 O ASN A 96 180.997 11.986 -4.070 1.00 0.00 O ATOM 1477 CB ASN A 96 178.427 12.740 -5.037 1.00 0.00 C ATOM 1478 CG ASN A 96 179.462 13.816 -5.305 1.00 0.00 C ATOM 1479 OD1 ASN A 96 179.782 14.112 -6.457 1.00 0.00 O ATOM 1480 ND2 ASN A 96 179.990 14.406 -4.240 1.00 0.00 N ATOM 0 H ASN A 96 177.728 9.750 -5.759 1.00 0.00 H new ATOM 0 HA ASN A 96 179.343 11.210 -6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.583 12.877 -5.713 1.00 0.00 H new ATOM 0 HB3 ASN A 96 178.045 12.854 -4.023 1.00 0.00 H new ATOM 0 HD21 ASN A 96 180.691 15.137 -4.357 1.00 0.00 H new ATOM 0 HD22 ASN A 96 179.694 14.128 -3.304 1.00 0.00 H new ATOM 1487 N GLY A 97 180.231 9.906 -3.677 1.00 0.00 N ATOM 1488 CA GLY A 97 181.314 9.594 -2.768 1.00 0.00 C ATOM 1489 C GLY A 97 182.566 9.167 -3.498 1.00 0.00 C ATOM 1490 O GLY A 97 182.519 8.818 -4.677 1.00 0.00 O ATOM 0 H GLY A 97 179.556 9.154 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.534 10.467 -2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 97 181.001 8.799 -2.091 1.00 0.00 H new ATOM 1494 N GLU A 98 183.688 9.197 -2.796 1.00 0.00 N ATOM 1495 CA GLU A 98 184.962 8.812 -3.384 1.00 0.00 C ATOM 1496 C GLU A 98 185.931 8.325 -2.312 1.00 0.00 C ATOM 1497 O GLU A 98 186.151 9.001 -1.307 1.00 0.00 O ATOM 1498 CB GLU A 98 185.573 9.991 -4.143 1.00 0.00 C ATOM 1499 CG GLU A 98 186.900 9.670 -4.810 1.00 0.00 C ATOM 1500 CD GLU A 98 187.824 10.869 -4.874 1.00 0.00 C ATOM 1501 OE1 GLU A 98 188.571 11.096 -3.898 1.00 0.00 O ATOM 1502 OE2 GLU A 98 187.803 11.582 -5.899 1.00 0.00 O ATOM 0 H GLU A 98 183.743 9.484 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 98 184.780 7.994 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 98 184.867 10.327 -4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 98 185.716 10.821 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 98 187.392 8.865 -4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 98 186.716 9.303 -5.820 1.00 0.00 H new ATOM 1509 N TRP A 99 186.511 7.150 -2.532 1.00 0.00 N ATOM 1510 CA TRP A 99 187.459 6.577 -1.584 1.00 0.00 C ATOM 1511 C TRP A 99 188.825 6.362 -2.249 1.00 0.00 C ATOM 1512 O TRP A 99 188.963 6.529 -3.461 1.00 0.00 O ATOM 1513 CB TRP A 99 186.910 5.268 -1.013 1.00 0.00 C ATOM 1514 CG TRP A 99 187.836 4.629 -0.032 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.163 5.084 1.212 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.575 3.428 -0.230 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.072 4.236 1.797 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.338 3.209 0.928 1.00 0.00 C ATOM 1519 CE3 TRP A 99 188.661 2.516 -1.280 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 190.183 2.113 1.061 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 189.498 1.430 -1.150 1.00 0.00 C ATOM 1522 CH2 TRP A 99 190.249 1.237 0.011 1.00 0.00 C ATOM 0 H TRP A 99 186.341 6.576 -3.358 1.00 0.00 H new ATOM 0 HA TRP A 99 187.597 7.276 -0.759 1.00 0.00 H new ATOM 0 HB2 TRP A 99 185.953 5.462 -0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.719 4.573 -1.830 1.00 0.00 H new ATOM 0 HD1 TRP A 99 187.766 5.978 1.669 1.00 0.00 H new ATOM 0 HE1 TRP A 99 189.481 4.351 2.724 1.00 0.00 H new ATOM 0 HE3 TRP A 99 188.081 2.658 -2.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 190.765 1.959 1.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 189.575 0.717 -1.958 1.00 0.00 H new ATOM 0 HH2 TRP A 99 190.897 0.376 0.082 1.00 0.00 H new ATOM 1533 N THR A 100 189.837 6.034 -1.446 1.00 0.00 N ATOM 1534 CA THR A 100 191.196 5.844 -1.957 1.00 0.00 C ATOM 1535 C THR A 100 191.661 4.391 -1.912 1.00 0.00 C ATOM 1536 O THR A 100 191.150 3.578 -1.143 1.00 0.00 O ATOM 1537 CB THR A 100 192.167 6.679 -1.117 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.379 6.891 -1.817 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.511 6.033 0.222 1.00 0.00 C ATOM 0 H THR A 100 189.743 5.894 -0.440 1.00 0.00 H new ATOM 0 HA THR A 100 191.184 6.156 -3.001 1.00 0.00 H new ATOM 0 HB THR A 100 191.652 7.621 -0.927 1.00 0.00 H new ATOM 0 HG1 THR A 100 194.136 6.731 -1.216 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.202 6.674 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.601 5.900 0.806 1.00 0.00 H new ATOM 0 HG23 THR A 100 192.976 5.062 0.049 1.00 0.00 H new ATOM 1547 N VAL A 101 192.690 4.104 -2.704 1.00 0.00 N ATOM 1548 CA VAL A 101 193.307 2.782 -2.734 1.00 0.00 C ATOM 1549 C VAL A 101 194.814 2.912 -2.507 1.00 0.00 C ATOM 1550 O VAL A 101 195.574 1.984 -2.777 1.00 0.00 O ATOM 1551 CB VAL A 101 193.080 2.043 -4.069 1.00 0.00 C ATOM 1552 CG1 VAL A 101 193.210 0.539 -3.868 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.722 2.388 -4.668 1.00 0.00 C ATOM 0 H VAL A 101 193.118 4.777 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 101 192.835 2.200 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 101 193.846 2.371 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 101 193.047 0.030 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.208 0.306 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 101 192.467 0.203 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.592 1.852 -5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 101 190.934 2.099 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.668 3.461 -4.852 1.00 0.00 H new ATOM 1563 N THR A 102 195.234 4.083 -2.024 1.00 0.00 N ATOM 1564 CA THR A 102 196.644 4.361 -1.772 1.00 0.00 C ATOM 1565 C THR A 102 197.249 3.375 -0.781 1.00 0.00 C ATOM 1566 O THR A 102 198.460 3.157 -0.772 1.00 0.00 O ATOM 1567 CB THR A 102 196.814 5.788 -1.249 1.00 0.00 C ATOM 1568 OG1 THR A 102 195.935 6.032 -0.166 1.00 0.00 O ATOM 1569 CG2 THR A 102 196.554 6.846 -2.300 1.00 0.00 C ATOM 0 H THR A 102 194.610 4.858 -1.799 1.00 0.00 H new ATOM 0 HA THR A 102 197.173 4.251 -2.719 1.00 0.00 H new ATOM 0 HB THR A 102 197.856 5.859 -0.936 1.00 0.00 H new ATOM 0 HG1 THR A 102 196.059 6.949 0.156 1.00 0.00 H new ATOM 0 HG21 THR A 102 196.692 7.835 -1.863 1.00 0.00 H new ATOM 0 HG22 THR A 102 197.251 6.715 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 102 195.532 6.751 -2.667 1.00 0.00 H new ATOM 1577 N GLU A 103 196.407 2.786 0.059 1.00 0.00 N ATOM 1578 CA GLU A 103 196.875 1.831 1.056 1.00 0.00 C ATOM 1579 C GLU A 103 195.947 0.626 1.142 1.00 0.00 C ATOM 1580 O GLU A 103 194.796 0.683 0.708 1.00 0.00 O ATOM 1581 CB GLU A 103 196.980 2.503 2.426 1.00 0.00 C ATOM 1582 CG GLU A 103 197.879 3.729 2.433 1.00 0.00 C ATOM 1583 CD GLU A 103 197.859 4.461 3.762 1.00 0.00 C ATOM 1584 OE1 GLU A 103 196.849 4.345 4.489 1.00 0.00 O ATOM 1585 OE2 GLU A 103 198.853 5.149 4.075 1.00 0.00 O ATOM 0 H GLU A 103 195.401 2.952 0.070 1.00 0.00 H new ATOM 0 HA GLU A 103 197.861 1.484 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 103 195.983 2.792 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 103 197.359 1.780 3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 103 198.901 3.427 2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 103 197.564 4.410 1.643 1.00 0.00 H new ATOM 1592 N PHE A 104 196.454 -0.462 1.712 1.00 0.00 N ATOM 1593 CA PHE A 104 195.673 -1.678 1.865 1.00 0.00 C ATOM 1594 C PHE A 104 195.766 -2.173 3.301 1.00 0.00 C ATOM 1595 O PHE A 104 196.806 -2.029 3.943 1.00 0.00 O ATOM 1596 CB PHE A 104 196.176 -2.766 0.912 1.00 0.00 C ATOM 1597 CG PHE A 104 195.862 -2.512 -0.537 1.00 0.00 C ATOM 1598 CD1 PHE A 104 196.381 -1.409 -1.192 1.00 0.00 C ATOM 1599 CD2 PHE A 104 195.050 -3.385 -1.244 1.00 0.00 C ATOM 1600 CE1 PHE A 104 196.098 -1.179 -2.525 1.00 0.00 C ATOM 1601 CE2 PHE A 104 194.765 -3.163 -2.578 1.00 0.00 C ATOM 1602 CZ PHE A 104 195.289 -2.057 -3.220 1.00 0.00 C ATOM 0 H PHE A 104 197.405 -0.524 2.076 1.00 0.00 H new ATOM 0 HA PHE A 104 194.634 -1.455 1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 104 197.256 -2.862 1.026 1.00 0.00 H new ATOM 0 HB3 PHE A 104 195.738 -3.720 1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 104 197.015 -0.719 -0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 104 194.635 -4.249 -0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 104 196.509 -0.313 -3.023 1.00 0.00 H new ATOM 0 HE2 PHE A 104 194.134 -3.853 -3.118 1.00 0.00 H new ATOM 0 HZ PHE A 104 195.067 -1.880 -4.262 1.00 0.00 H new ATOM 1612 N VAL A 105 194.689 -2.762 3.804 1.00 0.00 N ATOM 1613 CA VAL A 105 194.686 -3.278 5.162 1.00 0.00 C ATOM 1614 C VAL A 105 194.946 -4.779 5.163 1.00 0.00 C ATOM 1615 O VAL A 105 194.918 -5.430 4.118 1.00 0.00 O ATOM 1616 CB VAL A 105 193.365 -2.972 5.902 1.00 0.00 C ATOM 1617 CG1 VAL A 105 193.114 -1.472 5.937 1.00 0.00 C ATOM 1618 CG2 VAL A 105 192.195 -3.699 5.251 1.00 0.00 C ATOM 0 H VAL A 105 193.814 -2.893 3.295 1.00 0.00 H new ATOM 0 HA VAL A 105 195.488 -2.770 5.697 1.00 0.00 H new ATOM 0 HB VAL A 105 193.455 -3.333 6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 105 192.180 -1.272 6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 105 193.935 -0.978 6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 105 193.047 -1.090 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 105 191.277 -3.467 5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 105 192.098 -3.377 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.372 -4.774 5.282 1.00 0.00 H new ATOM 1628 N ASN A 106 195.218 -5.313 6.339 1.00 0.00 N ATOM 1629 CA ASN A 106 195.512 -6.729 6.501 1.00 0.00 C ATOM 1630 C ASN A 106 194.252 -7.531 6.741 1.00 0.00 C ATOM 1631 O ASN A 106 193.294 -7.040 7.338 1.00 0.00 O ATOM 1632 CB ASN A 106 196.474 -6.924 7.674 1.00 0.00 C ATOM 1633 CG ASN A 106 197.919 -7.020 7.226 1.00 0.00 C ATOM 1634 OD1 ASN A 106 198.236 -7.702 6.252 1.00 0.00 O ATOM 1635 ND2 ASN A 106 198.804 -6.334 7.941 1.00 0.00 N ATOM 0 H ASN A 106 195.242 -4.781 7.209 1.00 0.00 H new ATOM 0 HA ASN A 106 195.972 -7.086 5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 106 196.367 -6.092 8.370 1.00 0.00 H new ATOM 0 HB3 ASN A 106 196.203 -7.830 8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 106 199.792 -6.359 7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 106 198.495 -5.782 8.741 1.00 0.00 H new ATOM 1642 N GLU A 107 194.273 -8.788 6.310 1.00 0.00 N ATOM 1643 CA GLU A 107 193.141 -9.673 6.527 1.00 0.00 C ATOM 1644 C GLU A 107 192.819 -9.706 8.016 1.00 0.00 C ATOM 1645 O GLU A 107 191.721 -10.084 8.423 1.00 0.00 O ATOM 1646 CB GLU A 107 193.453 -11.082 6.019 1.00 0.00 C ATOM 1647 CG GLU A 107 194.791 -11.620 6.501 1.00 0.00 C ATOM 1648 CD GLU A 107 195.598 -12.261 5.388 1.00 0.00 C ATOM 1649 OE1 GLU A 107 195.166 -13.311 4.869 1.00 0.00 O ATOM 1650 OE2 GLU A 107 196.663 -11.711 5.037 1.00 0.00 O ATOM 0 H GLU A 107 195.056 -9.212 5.813 1.00 0.00 H new ATOM 0 HA GLU A 107 192.279 -9.300 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 107 192.661 -11.759 6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 107 193.444 -11.077 4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 107 195.368 -10.807 6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 107 194.621 -12.353 7.290 1.00 0.00 H new ATOM 1657 N ASP A 108 193.795 -9.281 8.822 1.00 0.00 N ATOM 1658 CA ASP A 108 193.632 -9.229 10.266 1.00 0.00 C ATOM 1659 C ASP A 108 192.656 -8.120 10.643 1.00 0.00 C ATOM 1660 O ASP A 108 191.942 -8.224 11.640 1.00 0.00 O ATOM 1661 CB ASP A 108 194.981 -8.998 10.950 1.00 0.00 C ATOM 1662 CG ASP A 108 195.696 -10.296 11.273 1.00 0.00 C ATOM 1663 OD1 ASP A 108 195.115 -11.130 11.999 1.00 0.00 O ATOM 1664 OD2 ASP A 108 196.837 -10.478 10.799 1.00 0.00 O ATOM 0 H ASP A 108 194.708 -8.968 8.492 1.00 0.00 H new ATOM 0 HA ASP A 108 193.231 -10.184 10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 108 195.613 -8.389 10.304 1.00 0.00 H new ATOM 0 HB3 ASP A 108 194.827 -8.433 11.869 1.00 0.00 H new ATOM 1669 N GLY A 109 192.622 -7.062 9.831 1.00 0.00 N ATOM 1670 CA GLY A 109 191.718 -5.960 10.098 1.00 0.00 C ATOM 1671 C GLY A 109 192.433 -4.650 10.360 1.00 0.00 C ATOM 1672 O GLY A 109 191.844 -3.718 10.906 1.00 0.00 O ATOM 0 H GLY A 109 193.202 -6.952 8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 109 191.046 -5.836 9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 109 191.099 -6.207 10.961 1.00 0.00 H new ATOM 1676 N THR A 110 193.698 -4.565 9.959 1.00 0.00 N ATOM 1677 CA THR A 110 194.466 -3.343 10.148 1.00 0.00 C ATOM 1678 C THR A 110 195.369 -3.079 8.959 1.00 0.00 C ATOM 1679 O THR A 110 195.632 -3.965 8.159 1.00 0.00 O ATOM 1680 CB THR A 110 195.285 -3.388 11.435 1.00 0.00 C ATOM 1681 OG1 THR A 110 196.518 -4.054 11.227 1.00 0.00 O ATOM 1682 CG2 THR A 110 194.575 -4.081 12.580 1.00 0.00 C ATOM 0 H THR A 110 194.208 -5.323 9.505 1.00 0.00 H new ATOM 0 HA THR A 110 193.753 -2.523 10.231 1.00 0.00 H new ATOM 0 HB THR A 110 195.442 -2.344 11.707 1.00 0.00 H new ATOM 0 HG1 THR A 110 197.027 -4.069 12.064 1.00 0.00 H new ATOM 0 HG21 THR A 110 195.216 -4.076 13.462 1.00 0.00 H new ATOM 0 HG22 THR A 110 193.646 -3.556 12.803 1.00 0.00 H new ATOM 0 HG23 THR A 110 194.352 -5.110 12.300 1.00 0.00 H new ATOM 1690 N PRO A 111 195.843 -1.840 8.829 1.00 0.00 N ATOM 1691 CA PRO A 111 196.706 -1.433 7.722 1.00 0.00 C ATOM 1692 C PRO A 111 197.804 -2.440 7.408 1.00 0.00 C ATOM 1693 O PRO A 111 198.531 -2.892 8.293 1.00 0.00 O ATOM 1694 CB PRO A 111 197.293 -0.111 8.213 1.00 0.00 C ATOM 1695 CG PRO A 111 196.241 0.451 9.109 1.00 0.00 C ATOM 1696 CD PRO A 111 195.566 -0.730 9.757 1.00 0.00 C ATOM 0 HA PRO A 111 196.154 -1.353 6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 111 198.230 -0.266 8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 111 197.508 0.561 7.382 1.00 0.00 H new ATOM 0 HG2 PRO A 111 196.680 1.109 9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 111 195.525 1.046 8.543 1.00 0.00 H new ATOM 0 HD2 PRO A 111 195.970 -0.927 10.750 1.00 0.00 H new ATOM 0 HD3 PRO A 111 194.495 -0.564 9.876 1.00 0.00 H new ATOM 1704 N ALA A 112 197.905 -2.784 6.129 1.00 0.00 N ATOM 1705 CA ALA A 112 198.895 -3.738 5.656 1.00 0.00 C ATOM 1706 C ALA A 112 200.314 -3.233 5.899 1.00 0.00 C ATOM 1707 O ALA A 112 200.648 -2.099 5.551 1.00 0.00 O ATOM 1708 CB ALA A 112 198.675 -4.024 4.180 1.00 0.00 C ATOM 0 H ALA A 112 197.304 -2.410 5.395 1.00 0.00 H new ATOM 0 HA ALA A 112 198.774 -4.663 6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 112 199.420 -4.739 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 112 197.678 -4.440 4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 112 198.769 -3.098 3.612 1.00 0.00 H new ATOM 1714 N ASP A 113 201.142 -4.082 6.494 1.00 0.00 N ATOM 1715 CA ASP A 113 202.528 -3.726 6.783 1.00 0.00 C ATOM 1716 C ASP A 113 203.474 -4.838 6.343 1.00 0.00 C ATOM 1717 O ASP A 113 203.063 -5.793 5.684 1.00 0.00 O ATOM 1718 CB ASP A 113 202.704 -3.448 8.277 1.00 0.00 C ATOM 1719 CG ASP A 113 203.655 -2.297 8.543 1.00 0.00 C ATOM 1720 OD1 ASP A 113 203.683 -1.350 7.729 1.00 0.00 O ATOM 1721 OD2 ASP A 113 204.372 -2.344 9.564 1.00 0.00 O ATOM 0 H ASP A 113 200.879 -5.023 6.787 1.00 0.00 H new ATOM 0 HA ASP A 113 202.772 -2.823 6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 113 201.733 -3.223 8.719 1.00 0.00 H new ATOM 0 HB3 ASP A 113 203.078 -4.346 8.769 1.00 0.00 H new ATOM 1726 N THR A 114 204.745 -4.709 6.714 1.00 0.00 N ATOM 1727 CA THR A 114 205.748 -5.705 6.356 1.00 0.00 C ATOM 1728 C THR A 114 206.095 -6.583 7.554 1.00 0.00 C ATOM 1729 O THR A 114 207.061 -6.320 8.270 1.00 0.00 O ATOM 1730 CB THR A 114 207.010 -5.023 5.827 1.00 0.00 C ATOM 1731 OG1 THR A 114 206.685 -4.075 4.825 1.00 0.00 O ATOM 1732 CG2 THR A 114 208.009 -5.992 5.235 1.00 0.00 C ATOM 0 H THR A 114 205.103 -3.926 7.261 1.00 0.00 H new ATOM 0 HA THR A 114 205.331 -6.338 5.573 1.00 0.00 H new ATOM 0 HB THR A 114 207.464 -4.542 6.693 1.00 0.00 H new ATOM 0 HG1 THR A 114 207.505 -3.648 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 114 208.881 -5.443 4.878 1.00 0.00 H new ATOM 0 HG22 THR A 114 208.317 -6.708 5.997 1.00 0.00 H new ATOM 0 HG23 THR A 114 207.550 -6.524 4.402 1.00 0.00 H new ATOM 1740 N SER A 115 205.300 -7.627 7.767 1.00 0.00 N ATOM 1741 CA SER A 115 205.525 -8.544 8.879 1.00 0.00 C ATOM 1742 C SER A 115 206.837 -9.303 8.703 1.00 0.00 C ATOM 1743 O SER A 115 207.412 -9.322 7.614 1.00 0.00 O ATOM 1744 CB SER A 115 204.363 -9.532 8.994 1.00 0.00 C ATOM 1745 OG SER A 115 203.123 -8.854 9.075 1.00 0.00 O ATOM 0 H SER A 115 204.495 -7.859 7.185 1.00 0.00 H new ATOM 0 HA SER A 115 205.587 -7.956 9.795 1.00 0.00 H new ATOM 0 HB2 SER A 115 204.361 -10.198 8.131 1.00 0.00 H new ATOM 0 HB3 SER A 115 204.498 -10.156 9.878 1.00 0.00 H new ATOM 0 HG SER A 115 202.397 -9.508 9.146 1.00 0.00 H new ATOM 1751 N LEU A 116 207.304 -9.926 9.779 1.00 0.00 N ATOM 1752 CA LEU A 116 208.549 -10.686 9.742 1.00 0.00 C ATOM 1753 C LEU A 116 208.805 -11.376 11.078 1.00 0.00 C ATOM 1754 O LEU A 116 209.426 -10.805 11.973 1.00 0.00 O ATOM 1755 CB LEU A 116 209.722 -9.766 9.390 1.00 0.00 C ATOM 1756 CG LEU A 116 210.526 -10.186 8.160 1.00 0.00 C ATOM 1757 CD1 LEU A 116 211.550 -9.119 7.801 1.00 0.00 C ATOM 1758 CD2 LEU A 116 211.212 -11.522 8.402 1.00 0.00 C ATOM 0 H LEU A 116 206.840 -9.920 10.687 1.00 0.00 H new ATOM 0 HA LEU A 116 208.457 -11.453 8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 116 209.338 -8.759 9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 116 210.395 -9.717 10.246 1.00 0.00 H new ATOM 0 HG LEU A 116 209.838 -10.298 7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 116 212.113 -9.436 6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 116 211.038 -8.181 7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 116 212.234 -8.975 8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 116 211.780 -11.805 7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 116 211.887 -11.435 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 116 210.461 -12.284 8.611 1.00 0.00 H new ATOM 1770 N GLU A 117 208.322 -12.609 11.206 1.00 0.00 N ATOM 1771 CA GLU A 117 208.501 -13.376 12.433 1.00 0.00 C ATOM 1772 C GLU A 117 209.656 -14.367 12.291 1.00 0.00 C ATOM 1773 O GLU A 117 209.854 -14.952 11.226 1.00 0.00 O ATOM 1774 CB GLU A 117 207.213 -14.123 12.784 1.00 0.00 C ATOM 1775 CG GLU A 117 206.281 -13.335 13.691 1.00 0.00 C ATOM 1776 CD GLU A 117 204.904 -13.961 13.796 1.00 0.00 C ATOM 1777 OE1 GLU A 117 204.327 -14.305 12.744 1.00 0.00 O ATOM 1778 OE2 GLU A 117 204.403 -14.106 14.931 1.00 0.00 O ATOM 0 H GLU A 117 207.804 -13.097 10.475 1.00 0.00 H new ATOM 0 HA GLU A 117 208.739 -12.680 13.237 1.00 0.00 H new ATOM 0 HB2 GLU A 117 206.685 -14.373 11.864 1.00 0.00 H new ATOM 0 HB3 GLU A 117 207.470 -15.064 13.270 1.00 0.00 H new ATOM 0 HG2 GLU A 117 206.721 -13.265 14.686 1.00 0.00 H new ATOM 0 HG3 GLU A 117 206.186 -12.317 13.312 1.00 0.00 H new ATOM 1785 N PRO A 118 210.436 -14.570 13.368 1.00 0.00 N ATOM 1786 CA PRO A 118 211.573 -15.495 13.354 1.00 0.00 C ATOM 1787 C PRO A 118 211.132 -16.955 13.347 1.00 0.00 C ATOM 1788 O PRO A 118 211.564 -17.699 12.440 1.00 0.00 O ATOM 1789 CB PRO A 118 212.312 -15.166 14.650 1.00 0.00 C ATOM 1790 CG PRO A 118 211.258 -14.636 15.560 1.00 0.00 C ATOM 1791 CD PRO A 118 210.273 -13.914 14.680 1.00 0.00 C ATOM 0 HA PRO A 118 212.183 -15.379 12.458 1.00 0.00 H new ATOM 0 HB2 PRO A 118 212.789 -16.051 15.070 1.00 0.00 H new ATOM 0 HB3 PRO A 118 213.098 -14.429 14.482 1.00 0.00 H new ATOM 0 HG2 PRO A 118 210.773 -15.444 16.107 1.00 0.00 H new ATOM 0 HG3 PRO A 118 211.686 -13.961 16.301 1.00 0.00 H new ATOM 0 HD2 PRO A 118 209.254 -14.012 15.054 1.00 0.00 H new ATOM 0 HD3 PRO A 118 210.491 -12.847 14.625 1.00 0.00 H new TER 1799 PRO A 118