USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 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= -0.349 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= -11.3! C(o=-11!,f=-14!) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= -1.33 (180deg=-1.7) USER MOD Single : A 41 ASN : amide:sc= 0.0481 X(o=0.048,f=0.024) USER MOD Single : A 51 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.41) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= -0.013 (180deg=-0.325) USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= -0.44 (180deg=-0.649) USER MOD Single : A 65 THR OG1 : rot -173:sc= -1.13 USER MOD Single : A 70 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 90:sc= -1.2 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.197 K(o=-0.2,f=-8.1!) USER MOD Single : A 96 ASN : amide:sc= -1.36 X(o=-1.4,f=-0.88) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 8 169.065 10.198 7.920 1.00 0.00 N ATOM 40 CA VAL A 8 169.821 10.372 6.684 1.00 0.00 C ATOM 41 C VAL A 8 170.717 9.167 6.410 1.00 0.00 C ATOM 42 O VAL A 8 170.998 8.374 7.307 1.00 0.00 O ATOM 43 CB VAL A 8 170.690 11.644 6.736 1.00 0.00 C ATOM 44 CG1 VAL A 8 171.278 11.950 5.367 1.00 0.00 C ATOM 45 CG2 VAL A 8 169.879 12.825 7.249 1.00 0.00 C ATOM 0 HA VAL A 8 169.094 10.468 5.878 1.00 0.00 H new ATOM 0 HB VAL A 8 171.514 11.468 7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 8 171.888 12.852 5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 8 171.897 11.114 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 8 170.471 12.104 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 8 170.509 13.714 7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 8 169.033 13.002 6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 8 169.513 12.606 8.252 1.00 0.00 H new ATOM 55 N VAL A 9 171.165 9.030 5.165 1.00 0.00 N ATOM 56 CA VAL A 9 172.025 7.916 4.785 1.00 0.00 C ATOM 57 C VAL A 9 173.392 8.010 5.471 1.00 0.00 C ATOM 58 O VAL A 9 174.034 9.060 5.448 1.00 0.00 O ATOM 59 CB VAL A 9 172.219 7.865 3.254 1.00 0.00 C ATOM 60 CG1 VAL A 9 172.781 9.181 2.739 1.00 0.00 C ATOM 61 CG2 VAL A 9 173.113 6.694 2.858 1.00 0.00 C ATOM 0 H VAL A 9 170.947 9.675 4.405 1.00 0.00 H new ATOM 0 HA VAL A 9 171.531 7.001 5.112 1.00 0.00 H new ATOM 0 HB VAL A 9 171.244 7.711 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 9 172.910 9.123 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 9 172.091 9.990 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 9 173.745 9.374 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 9 173.235 6.679 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 9 174.089 6.805 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 9 172.655 5.760 3.184 1.00 0.00 H new ATOM 71 N PRO A 10 173.854 6.910 6.101 1.00 0.00 N ATOM 72 CA PRO A 10 175.145 6.879 6.800 1.00 0.00 C ATOM 73 C PRO A 10 176.325 7.105 5.861 1.00 0.00 C ATOM 74 O PRO A 10 176.148 7.468 4.699 1.00 0.00 O ATOM 75 CB PRO A 10 175.213 5.467 7.395 1.00 0.00 C ATOM 76 CG PRO A 10 173.816 4.956 7.362 1.00 0.00 C ATOM 77 CD PRO A 10 173.157 5.618 6.190 1.00 0.00 C ATOM 0 HA PRO A 10 175.209 7.673 7.544 1.00 0.00 H new ATOM 0 HB2 PRO A 10 175.879 4.828 6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 10 175.599 5.488 8.414 1.00 0.00 H new ATOM 0 HG2 PRO A 10 173.801 3.871 7.256 1.00 0.00 H new ATOM 0 HG3 PRO A 10 173.293 5.193 8.288 1.00 0.00 H new ATOM 0 HD2 PRO A 10 173.275 5.033 5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 10 172.087 5.748 6.350 1.00 0.00 H new ATOM 85 N SER A 11 177.532 6.892 6.380 1.00 0.00 N ATOM 86 CA SER A 11 178.744 7.074 5.598 1.00 0.00 C ATOM 87 C SER A 11 179.429 5.743 5.313 1.00 0.00 C ATOM 88 O SER A 11 179.737 4.980 6.229 1.00 0.00 O ATOM 89 CB SER A 11 179.701 8.002 6.343 1.00 0.00 C ATOM 90 OG SER A 11 180.676 8.544 5.470 1.00 0.00 O ATOM 0 H SER A 11 177.693 6.592 7.342 1.00 0.00 H new ATOM 0 HA SER A 11 178.468 7.519 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 11 179.138 8.810 6.809 1.00 0.00 H new ATOM 0 HB3 SER A 11 180.193 7.452 7.145 1.00 0.00 H new ATOM 0 HG SER A 11 181.274 9.135 5.974 1.00 0.00 H new ATOM 96 N ALA A 12 179.665 5.470 4.032 1.00 0.00 N ATOM 97 CA ALA A 12 180.315 4.233 3.622 1.00 0.00 C ATOM 98 C ALA A 12 181.821 4.297 3.854 1.00 0.00 C ATOM 99 O ALA A 12 182.550 4.942 3.102 1.00 0.00 O ATOM 100 CB ALA A 12 180.013 3.939 2.160 1.00 0.00 C ATOM 0 H ALA A 12 179.415 6.090 3.262 1.00 0.00 H new ATOM 0 HA ALA A 12 179.917 3.423 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 12 180.505 3.012 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 12 178.936 3.837 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 12 180.381 4.757 1.541 1.00 0.00 H new ATOM 106 N LYS A 13 182.281 3.615 4.899 1.00 0.00 N ATOM 107 CA LYS A 13 183.702 3.583 5.228 1.00 0.00 C ATOM 108 C LYS A 13 184.364 2.366 4.591 1.00 0.00 C ATOM 109 O LYS A 13 184.083 1.229 4.966 1.00 0.00 O ATOM 110 CB LYS A 13 183.896 3.552 6.747 1.00 0.00 C ATOM 111 CG LYS A 13 184.964 4.515 7.243 1.00 0.00 C ATOM 112 CD LYS A 13 184.790 4.825 8.721 1.00 0.00 C ATOM 113 CE LYS A 13 185.600 6.042 9.136 1.00 0.00 C ATOM 114 NZ LYS A 13 184.781 7.015 9.910 1.00 0.00 N ATOM 0 H LYS A 13 181.690 3.077 5.533 1.00 0.00 H new ATOM 0 HA LYS A 13 184.170 4.485 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 13 182.949 3.792 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 13 184.162 2.539 7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 13 185.951 4.084 7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 13 184.917 5.440 6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 13 183.735 4.999 8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 13 185.098 3.963 9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 13 186.451 5.724 9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 13 186.002 6.531 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 185.369 7.831 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 183.983 7.338 9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 184.418 6.557 10.770 1.00 0.00 H new ATOM 128 N LEU A 14 185.233 2.610 3.613 1.00 0.00 N ATOM 129 CA LEU A 14 185.914 1.526 2.916 1.00 0.00 C ATOM 130 C LEU A 14 187.378 1.415 3.328 1.00 0.00 C ATOM 131 O LEU A 14 187.953 2.346 3.891 1.00 0.00 O ATOM 132 CB LEU A 14 185.818 1.731 1.403 1.00 0.00 C ATOM 133 CG LEU A 14 184.397 1.739 0.842 1.00 0.00 C ATOM 134 CD1 LEU A 14 183.749 3.099 1.054 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.405 1.374 -0.634 1.00 0.00 C ATOM 0 H LEU A 14 185.480 3.545 3.288 1.00 0.00 H new ATOM 0 HA LEU A 14 185.417 0.596 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.299 2.676 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 14 186.384 0.942 0.908 1.00 0.00 H new ATOM 0 HG LEU A 14 183.810 0.992 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 14 182.737 3.087 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 14 183.710 3.321 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 14 184.335 3.864 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.385 1.385 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 14 185.007 2.097 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 14 184.830 0.378 -0.760 1.00 0.00 H new ATOM 147 N GLU A 15 187.967 0.261 3.033 1.00 0.00 N ATOM 148 CA GLU A 15 189.365 -0.003 3.353 1.00 0.00 C ATOM 149 C GLU A 15 189.939 -1.024 2.375 1.00 0.00 C ATOM 150 O GLU A 15 189.231 -1.926 1.930 1.00 0.00 O ATOM 151 CB GLU A 15 189.492 -0.522 4.788 1.00 0.00 C ATOM 152 CG GLU A 15 189.199 0.530 5.845 1.00 0.00 C ATOM 153 CD GLU A 15 190.240 1.632 5.874 1.00 0.00 C ATOM 154 OE1 GLU A 15 191.308 1.423 6.486 1.00 0.00 O ATOM 155 OE2 GLU A 15 189.986 2.703 5.285 1.00 0.00 O ATOM 0 H GLU A 15 187.492 -0.513 2.568 1.00 0.00 H new ATOM 0 HA GLU A 15 189.927 0.927 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 15 188.809 -1.361 4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 15 190.501 -0.905 4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 15 188.218 0.966 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 15 189.152 0.053 6.824 1.00 0.00 H new ATOM 162 N ALA A 16 191.216 -0.878 2.031 1.00 0.00 N ATOM 163 CA ALA A 16 191.851 -1.799 1.089 1.00 0.00 C ATOM 164 C ALA A 16 192.418 -3.025 1.799 1.00 0.00 C ATOM 165 O ALA A 16 193.269 -2.909 2.677 1.00 0.00 O ATOM 166 CB ALA A 16 192.950 -1.083 0.315 1.00 0.00 C ATOM 0 H ALA A 16 191.826 -0.141 2.384 1.00 0.00 H new ATOM 0 HA ALA A 16 191.087 -2.143 0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 16 193.416 -1.779 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 16 192.521 -0.247 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.701 -0.710 1.011 1.00 0.00 H new ATOM 172 N ILE A 17 191.937 -4.203 1.407 1.00 0.00 N ATOM 173 CA ILE A 17 192.395 -5.455 2.000 1.00 0.00 C ATOM 174 C ILE A 17 193.456 -6.121 1.130 1.00 0.00 C ATOM 175 O ILE A 17 193.177 -6.550 0.011 1.00 0.00 O ATOM 176 CB ILE A 17 191.231 -6.444 2.210 1.00 0.00 C ATOM 177 CG1 ILE A 17 190.055 -5.744 2.892 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.695 -7.637 3.033 1.00 0.00 C ATOM 179 CD1 ILE A 17 190.344 -5.319 4.316 1.00 0.00 C ATOM 0 H ILE A 17 191.230 -4.315 0.681 1.00 0.00 H new ATOM 0 HA ILE A 17 192.825 -5.201 2.969 1.00 0.00 H new ATOM 0 HB ILE A 17 190.898 -6.805 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.778 -4.866 2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 17 189.194 -6.413 2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 17 190.863 -8.327 3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 17 192.505 -8.146 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 17 192.049 -7.293 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 17 189.465 -4.830 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.591 -6.196 4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 17 191.184 -4.625 4.325 1.00 0.00 H new ATOM 191 N TYR A 18 194.675 -6.206 1.655 1.00 0.00 N ATOM 192 CA TYR A 18 195.779 -6.822 0.930 1.00 0.00 C ATOM 193 C TYR A 18 195.695 -8.346 1.016 1.00 0.00 C ATOM 194 O TYR A 18 195.325 -8.891 2.056 1.00 0.00 O ATOM 195 CB TYR A 18 197.115 -6.337 1.499 1.00 0.00 C ATOM 196 CG TYR A 18 198.314 -6.746 0.674 1.00 0.00 C ATOM 197 CD1 TYR A 18 198.726 -5.981 -0.410 1.00 0.00 C ATOM 198 CD2 TYR A 18 199.034 -7.895 0.978 1.00 0.00 C ATOM 199 CE1 TYR A 18 199.821 -6.350 -1.168 1.00 0.00 C ATOM 200 CE2 TYR A 18 200.130 -8.270 0.224 1.00 0.00 C ATOM 201 CZ TYR A 18 200.519 -7.495 -0.846 1.00 0.00 C ATOM 202 OH TYR A 18 201.609 -7.865 -1.600 1.00 0.00 O ATOM 0 H TYR A 18 194.922 -5.855 2.580 1.00 0.00 H new ATOM 0 HA TYR A 18 195.711 -6.530 -0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 18 197.093 -5.250 1.577 1.00 0.00 H new ATOM 0 HB3 TYR A 18 197.231 -6.727 2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 18 198.182 -5.083 -0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 18 198.732 -8.505 1.817 1.00 0.00 H new ATOM 0 HE1 TYR A 18 200.129 -5.745 -2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 18 200.679 -9.166 0.473 1.00 0.00 H new ATOM 0 HH TYR A 18 201.989 -8.694 -1.241 1.00 0.00 H new ATOM 212 N PRO A 19 196.032 -9.064 -0.075 1.00 0.00 N ATOM 213 CA PRO A 19 196.475 -8.485 -1.334 1.00 0.00 C ATOM 214 C PRO A 19 195.343 -8.352 -2.349 1.00 0.00 C ATOM 215 O PRO A 19 195.569 -7.964 -3.495 1.00 0.00 O ATOM 216 CB PRO A 19 197.496 -9.516 -1.807 1.00 0.00 C ATOM 217 CG PRO A 19 197.012 -10.829 -1.260 1.00 0.00 C ATOM 218 CD PRO A 19 196.011 -10.526 -0.165 1.00 0.00 C ATOM 0 HA PRO A 19 196.862 -7.472 -1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 19 197.556 -9.541 -2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 19 198.494 -9.280 -1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 19 196.550 -11.425 -2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 19 197.846 -11.411 -0.867 1.00 0.00 H new ATOM 0 HD2 PRO A 19 195.018 -10.898 -0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 19 196.297 -10.990 0.779 1.00 0.00 H new ATOM 226 N ARG A 20 194.127 -8.674 -1.922 1.00 0.00 N ATOM 227 CA ARG A 20 192.967 -8.589 -2.788 1.00 0.00 C ATOM 228 C ARG A 20 191.677 -8.595 -1.975 1.00 0.00 C ATOM 229 O ARG A 20 191.167 -9.653 -1.606 1.00 0.00 O ATOM 230 CB ARG A 20 192.963 -9.743 -3.793 1.00 0.00 C ATOM 231 CG ARG A 20 193.475 -9.354 -5.170 1.00 0.00 C ATOM 232 CD ARG A 20 194.312 -10.464 -5.791 1.00 0.00 C ATOM 233 NE ARG A 20 195.658 -10.010 -6.131 1.00 0.00 N ATOM 234 CZ ARG A 20 196.683 -10.830 -6.351 1.00 0.00 C ATOM 235 NH1 ARG A 20 196.521 -12.144 -6.265 1.00 0.00 N ATOM 236 NH2 ARG A 20 197.874 -10.335 -6.656 1.00 0.00 N ATOM 0 H ARG A 20 193.923 -8.997 -0.976 1.00 0.00 H new ATOM 0 HA ARG A 20 193.023 -7.647 -3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 20 193.576 -10.555 -3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 20 191.947 -10.127 -3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 20 192.631 -9.126 -5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 20 194.073 -8.446 -5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 20 194.377 -11.301 -5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 20 193.816 -10.833 -6.689 1.00 0.00 H new ATOM 0 HE ARG A 20 195.822 -9.006 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 20 195.607 -12.531 -6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 20 197.310 -12.767 -6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 20 198.005 -9.326 -6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 20 198.660 -10.963 -6.825 1.00 0.00 H new ATOM 250 N GLY A 21 191.160 -7.405 -1.697 1.00 0.00 N ATOM 251 CA GLY A 21 189.935 -7.286 -0.930 1.00 0.00 C ATOM 252 C GLY A 21 189.654 -5.860 -0.501 1.00 0.00 C ATOM 253 O GLY A 21 190.525 -4.995 -0.590 1.00 0.00 O ATOM 0 H GLY A 21 191.569 -6.518 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 21 189.100 -7.654 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 21 190.000 -7.921 -0.047 1.00 0.00 H new ATOM 257 N LEU A 22 188.438 -5.615 -0.029 1.00 0.00 N ATOM 258 CA LEU A 22 188.048 -4.286 0.423 1.00 0.00 C ATOM 259 C LEU A 22 186.859 -4.367 1.381 1.00 0.00 C ATOM 260 O LEU A 22 185.804 -4.897 1.034 1.00 0.00 O ATOM 261 CB LEU A 22 187.729 -3.388 -0.780 1.00 0.00 C ATOM 262 CG LEU A 22 186.303 -3.488 -1.326 1.00 0.00 C ATOM 263 CD1 LEU A 22 185.419 -2.429 -0.686 1.00 0.00 C ATOM 264 CD2 LEU A 22 186.302 -3.344 -2.840 1.00 0.00 C ATOM 0 H LEU A 22 187.705 -6.320 0.051 1.00 0.00 H new ATOM 0 HA LEU A 22 188.883 -3.844 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 22 187.918 -2.353 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 22 188.424 -3.630 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 22 185.902 -4.470 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 22 184.407 -2.511 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 22 185.398 -2.577 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 22 185.817 -1.439 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 22 185.280 -3.418 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 22 186.719 -2.375 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 22 186.907 -4.136 -3.281 1.00 0.00 H new ATOM 276 N ARG A 23 187.045 -3.852 2.593 1.00 0.00 N ATOM 277 CA ARG A 23 185.992 -3.879 3.606 1.00 0.00 C ATOM 278 C ARG A 23 185.227 -2.561 3.645 1.00 0.00 C ATOM 279 O ARG A 23 185.822 -1.485 3.628 1.00 0.00 O ATOM 280 CB ARG A 23 186.593 -4.171 4.982 1.00 0.00 C ATOM 281 CG ARG A 23 185.552 -4.480 6.047 1.00 0.00 C ATOM 282 CD ARG A 23 185.524 -3.414 7.130 1.00 0.00 C ATOM 283 NE ARG A 23 186.306 -3.802 8.303 1.00 0.00 N ATOM 284 CZ ARG A 23 186.531 -3.001 9.342 1.00 0.00 C ATOM 285 NH1 ARG A 23 186.036 -1.769 9.359 1.00 0.00 N ATOM 286 NH2 ARG A 23 187.252 -3.433 10.367 1.00 0.00 N ATOM 0 H ARG A 23 187.913 -3.412 2.898 1.00 0.00 H new ATOM 0 HA ARG A 23 185.292 -4.671 3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 23 187.277 -5.015 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 23 187.184 -3.312 5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 23 184.568 -4.554 5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 23 185.767 -5.450 6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 23 185.914 -2.479 6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 23 184.492 -3.227 7.428 1.00 0.00 H new ATOM 0 HE ARG A 23 186.702 -4.742 8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 23 185.480 -1.432 8.573 1.00 0.00 H new ATOM 0 HH12 ARG A 23 186.212 -1.160 10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 23 187.634 -4.379 10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 23 187.425 -2.820 11.163 1.00 0.00 H new ATOM 300 N VAL A 24 183.900 -2.656 3.705 1.00 0.00 N ATOM 301 CA VAL A 24 183.047 -1.474 3.754 1.00 0.00 C ATOM 302 C VAL A 24 182.149 -1.498 4.988 1.00 0.00 C ATOM 303 O VAL A 24 181.833 -2.566 5.515 1.00 0.00 O ATOM 304 CB VAL A 24 182.165 -1.370 2.495 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.372 -0.073 2.500 1.00 0.00 C ATOM 306 CG2 VAL A 24 183.015 -1.480 1.238 1.00 0.00 C ATOM 0 H VAL A 24 183.393 -3.541 3.721 1.00 0.00 H new ATOM 0 HA VAL A 24 183.705 -0.607 3.802 1.00 0.00 H new ATOM 0 HB VAL A 24 181.457 -2.199 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 24 180.756 -0.020 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 24 180.732 -0.041 3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 24 182.059 0.773 2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 24 182.375 -1.404 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 24 183.749 -0.674 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 24 183.531 -2.440 1.230 1.00 0.00 H new ATOM 316 N SER A 25 181.742 -0.318 5.445 1.00 0.00 N ATOM 317 CA SER A 25 180.878 -0.210 6.618 1.00 0.00 C ATOM 318 C SER A 25 180.073 1.085 6.590 1.00 0.00 C ATOM 319 O SER A 25 180.496 2.078 5.996 1.00 0.00 O ATOM 320 CB SER A 25 181.711 -0.279 7.899 1.00 0.00 C ATOM 321 OG SER A 25 182.837 -1.125 7.731 1.00 0.00 O ATOM 0 H SER A 25 181.995 0.575 5.023 1.00 0.00 H new ATOM 0 HA SER A 25 180.180 -1.047 6.599 1.00 0.00 H new ATOM 0 HB2 SER A 25 182.042 0.722 8.175 1.00 0.00 H new ATOM 0 HB3 SER A 25 181.094 -0.648 8.718 1.00 0.00 H new ATOM 0 HG SER A 25 183.354 -1.151 8.563 1.00 0.00 H new ATOM 327 N ILE A 26 178.908 1.070 7.231 1.00 0.00 N ATOM 328 CA ILE A 26 178.042 2.250 7.272 1.00 0.00 C ATOM 329 C ILE A 26 177.263 2.328 8.587 1.00 0.00 C ATOM 330 O ILE A 26 176.517 1.409 8.924 1.00 0.00 O ATOM 331 CB ILE A 26 177.029 2.236 6.112 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.302 0.892 6.063 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.727 2.519 4.792 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.800 1.022 5.946 1.00 0.00 C ATOM 0 H ILE A 26 178.541 0.259 7.728 1.00 0.00 H new ATOM 0 HA ILE A 26 178.696 3.118 7.183 1.00 0.00 H new ATOM 0 HB ILE A 26 176.292 3.021 6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.676 0.316 5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.541 0.326 6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 26 176.996 2.505 3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 26 178.202 3.499 4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.484 1.756 4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.350 0.030 5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.414 1.570 6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.552 1.560 5.031 1.00 0.00 H new ATOM 346 N PRO A 27 177.414 3.429 9.350 1.00 0.00 N ATOM 347 CA PRO A 27 176.703 3.600 10.620 1.00 0.00 C ATOM 348 C PRO A 27 175.191 3.457 10.448 1.00 0.00 C ATOM 349 O PRO A 27 174.512 4.388 10.017 1.00 0.00 O ATOM 350 CB PRO A 27 177.069 5.022 11.075 1.00 0.00 C ATOM 351 CG PRO A 27 177.714 5.680 9.899 1.00 0.00 C ATOM 352 CD PRO A 27 178.271 4.581 9.036 1.00 0.00 C ATOM 0 HA PRO A 27 176.986 2.839 11.347 1.00 0.00 H new ATOM 0 HB2 PRO A 27 176.182 5.571 11.390 1.00 0.00 H new ATOM 0 HB3 PRO A 27 177.748 4.996 11.928 1.00 0.00 H new ATOM 0 HG2 PRO A 27 176.990 6.277 9.345 1.00 0.00 H new ATOM 0 HG3 PRO A 27 178.505 6.357 10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 27 178.224 4.839 7.978 1.00 0.00 H new ATOM 0 HD3 PRO A 27 179.316 4.379 9.269 1.00 0.00 H new ATOM 360 N ASP A 28 174.680 2.276 10.783 1.00 0.00 N ATOM 361 CA ASP A 28 173.253 1.983 10.662 1.00 0.00 C ATOM 362 C ASP A 28 172.417 2.884 11.563 1.00 0.00 C ATOM 363 O ASP A 28 172.920 3.473 12.521 1.00 0.00 O ATOM 364 CB ASP A 28 172.985 0.515 11.014 1.00 0.00 C ATOM 365 CG ASP A 28 171.515 0.149 10.933 1.00 0.00 C ATOM 366 OD1 ASP A 28 170.818 0.683 10.045 1.00 0.00 O ATOM 367 OD2 ASP A 28 171.061 -0.672 11.757 1.00 0.00 O ATOM 0 H ASP A 28 175.236 1.501 11.143 1.00 0.00 H new ATOM 0 HA ASP A 28 172.964 2.173 9.628 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.552 -0.125 10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.349 0.316 12.022 1.00 0.00 H new ATOM 372 N ASP A 29 171.129 2.964 11.250 1.00 0.00 N ATOM 373 CA ASP A 29 170.192 3.764 12.023 1.00 0.00 C ATOM 374 C ASP A 29 168.832 3.079 12.048 1.00 0.00 C ATOM 375 O ASP A 29 167.794 3.713 11.861 1.00 0.00 O ATOM 376 CB ASP A 29 170.068 5.170 11.431 1.00 0.00 C ATOM 377 CG ASP A 29 170.064 6.248 12.497 1.00 0.00 C ATOM 378 OD1 ASP A 29 171.028 6.303 13.290 1.00 0.00 O ATOM 379 OD2 ASP A 29 169.097 7.037 12.539 1.00 0.00 O ATOM 0 H ASP A 29 170.708 2.478 10.458 1.00 0.00 H new ATOM 0 HA ASP A 29 170.565 3.856 13.043 1.00 0.00 H new ATOM 0 HB2 ASP A 29 170.895 5.346 10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.149 5.236 10.848 1.00 0.00 H new ATOM 384 N GLY A 30 168.856 1.770 12.281 1.00 0.00 N ATOM 385 CA GLY A 30 167.639 0.996 12.329 1.00 0.00 C ATOM 386 C GLY A 30 166.992 0.837 10.968 1.00 0.00 C ATOM 387 O GLY A 30 165.774 0.956 10.835 1.00 0.00 O ATOM 0 H GLY A 30 169.708 1.232 12.438 1.00 0.00 H new ATOM 0 HA2 GLY A 30 167.856 0.010 12.741 1.00 0.00 H new ATOM 0 HA3 GLY A 30 166.934 1.477 13.008 1.00 0.00 H new ATOM 391 N PHE A 31 167.808 0.570 9.953 1.00 0.00 N ATOM 392 CA PHE A 31 167.304 0.397 8.597 1.00 0.00 C ATOM 393 C PHE A 31 166.909 -1.046 8.334 1.00 0.00 C ATOM 394 O PHE A 31 166.880 -1.879 9.241 1.00 0.00 O ATOM 395 CB PHE A 31 168.356 0.819 7.571 1.00 0.00 C ATOM 396 CG PHE A 31 169.022 2.122 7.897 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.273 3.235 8.235 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.402 2.229 7.870 1.00 0.00 C ATOM 399 CE1 PHE A 31 168.889 4.435 8.538 1.00 0.00 C ATOM 400 CE2 PHE A 31 171.023 3.423 8.174 1.00 0.00 C ATOM 401 CZ PHE A 31 170.266 4.528 8.507 1.00 0.00 C ATOM 0 H PHE A 31 168.819 0.469 10.044 1.00 0.00 H new ATOM 0 HA PHE A 31 166.422 1.030 8.498 1.00 0.00 H new ATOM 0 HB2 PHE A 31 169.115 0.040 7.500 1.00 0.00 H new ATOM 0 HB3 PHE A 31 167.885 0.896 6.591 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.196 3.166 8.262 1.00 0.00 H new ATOM 0 HD2 PHE A 31 170.999 1.368 7.608 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.294 5.298 8.798 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.100 3.493 8.151 1.00 0.00 H new ATOM 0 HZ PHE A 31 170.750 5.464 8.743 1.00 0.00 H new ATOM 411 N SER A 32 166.614 -1.325 7.075 1.00 0.00 N ATOM 412 CA SER A 32 166.225 -2.655 6.647 1.00 0.00 C ATOM 413 C SER A 32 167.005 -3.071 5.407 1.00 0.00 C ATOM 414 O SER A 32 167.227 -4.260 5.183 1.00 0.00 O ATOM 415 CB SER A 32 164.722 -2.710 6.367 1.00 0.00 C ATOM 416 OG SER A 32 164.320 -4.017 5.992 1.00 0.00 O ATOM 0 H SER A 32 166.638 -0.636 6.323 1.00 0.00 H new ATOM 0 HA SER A 32 166.457 -3.352 7.452 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.172 -2.398 7.255 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.471 -2.007 5.573 1.00 0.00 H new ATOM 0 HG SER A 32 163.355 -4.026 5.820 1.00 0.00 H new ATOM 422 N LEU A 33 167.431 -2.097 4.596 1.00 0.00 N ATOM 423 CA LEU A 33 168.194 -2.430 3.394 1.00 0.00 C ATOM 424 C LEU A 33 169.359 -1.483 3.172 1.00 0.00 C ATOM 425 O LEU A 33 169.214 -0.270 3.278 1.00 0.00 O ATOM 426 CB LEU A 33 167.315 -2.421 2.145 1.00 0.00 C ATOM 427 CG LEU A 33 167.850 -3.277 0.996 1.00 0.00 C ATOM 428 CD1 LEU A 33 167.577 -4.751 1.248 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.246 -2.838 -0.330 1.00 0.00 C ATOM 0 H LEU A 33 167.266 -1.101 4.744 1.00 0.00 H new ATOM 0 HA LEU A 33 168.581 -3.435 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.319 -2.774 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.207 -1.393 1.798 1.00 0.00 H new ATOM 0 HG LEU A 33 168.929 -3.135 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 33 167.966 -5.340 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 33 168.066 -5.059 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 33 166.503 -4.912 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.640 -3.460 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.162 -2.943 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.502 -1.796 -0.519 1.00 0.00 H new ATOM 441 N PHE A 34 170.509 -2.059 2.845 1.00 0.00 N ATOM 442 CA PHE A 34 171.713 -1.294 2.577 1.00 0.00 C ATOM 443 C PHE A 34 172.296 -1.669 1.214 1.00 0.00 C ATOM 444 O PHE A 34 173.112 -2.584 1.110 1.00 0.00 O ATOM 445 CB PHE A 34 172.742 -1.558 3.669 1.00 0.00 C ATOM 446 CG PHE A 34 174.095 -0.974 3.376 1.00 0.00 C ATOM 447 CD1 PHE A 34 174.226 0.353 3.002 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.234 -1.757 3.463 1.00 0.00 C ATOM 449 CE1 PHE A 34 175.469 0.888 2.719 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.480 -1.228 3.183 1.00 0.00 C ATOM 451 CZ PHE A 34 176.597 0.096 2.810 1.00 0.00 C ATOM 0 H PHE A 34 170.630 -3.068 2.759 1.00 0.00 H new ATOM 0 HA PHE A 34 171.458 -0.234 2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.375 -1.147 4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 34 172.843 -2.634 3.809 1.00 0.00 H new ATOM 0 HD1 PHE A 34 173.347 0.977 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.148 -2.794 3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 34 175.558 1.924 2.427 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.360 -1.849 3.256 1.00 0.00 H new ATOM 0 HZ PHE A 34 177.569 0.512 2.590 1.00 0.00 H new ATOM 461 N ALA A 35 171.877 -0.955 0.174 1.00 0.00 N ATOM 462 CA ALA A 35 172.364 -1.213 -1.175 1.00 0.00 C ATOM 463 C ALA A 35 173.676 -0.480 -1.422 1.00 0.00 C ATOM 464 O ALA A 35 173.760 0.736 -1.249 1.00 0.00 O ATOM 465 CB ALA A 35 171.323 -0.800 -2.203 1.00 0.00 C ATOM 0 H ALA A 35 171.202 -0.194 0.240 1.00 0.00 H new ATOM 0 HA ALA A 35 172.545 -2.283 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 35 171.702 -0.999 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.407 -1.369 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 35 171.112 0.264 -2.100 1.00 0.00 H new ATOM 471 N PHE A 36 174.703 -1.224 -1.818 1.00 0.00 N ATOM 472 CA PHE A 36 176.013 -0.639 -2.075 1.00 0.00 C ATOM 473 C PHE A 36 176.393 -0.750 -3.549 1.00 0.00 C ATOM 474 O PHE A 36 176.536 -1.849 -4.079 1.00 0.00 O ATOM 475 CB PHE A 36 177.074 -1.324 -1.213 1.00 0.00 C ATOM 476 CG PHE A 36 178.460 -0.790 -1.429 1.00 0.00 C ATOM 477 CD1 PHE A 36 178.901 0.328 -0.737 1.00 0.00 C ATOM 478 CD2 PHE A 36 179.323 -1.403 -2.322 1.00 0.00 C ATOM 479 CE1 PHE A 36 180.176 0.823 -0.936 1.00 0.00 C ATOM 480 CE2 PHE A 36 180.599 -0.912 -2.524 1.00 0.00 C ATOM 481 CZ PHE A 36 181.025 0.202 -1.829 1.00 0.00 C ATOM 0 H PHE A 36 174.653 -2.232 -1.968 1.00 0.00 H new ATOM 0 HA PHE A 36 175.962 0.419 -1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 36 176.808 -1.207 -0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.068 -2.393 -1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 36 178.241 0.817 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 36 178.995 -2.276 -2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 36 180.508 1.696 -0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 36 181.262 -1.399 -3.224 1.00 0.00 H new ATOM 0 HZ PHE A 36 182.022 0.587 -1.984 1.00 0.00 H new ATOM 491 N HIS A 37 176.563 0.401 -4.196 1.00 0.00 N ATOM 492 CA HIS A 37 176.943 0.454 -5.598 1.00 0.00 C ATOM 493 C HIS A 37 178.233 1.251 -5.743 1.00 0.00 C ATOM 494 O HIS A 37 178.308 2.386 -5.278 1.00 0.00 O ATOM 495 CB HIS A 37 175.832 1.117 -6.403 1.00 0.00 C ATOM 496 CG HIS A 37 175.316 0.267 -7.521 1.00 0.00 C ATOM 497 ND1 HIS A 37 174.017 0.334 -7.981 1.00 0.00 N ATOM 498 CD2 HIS A 37 175.928 -0.681 -8.267 1.00 0.00 C ATOM 499 CE1 HIS A 37 173.854 -0.536 -8.961 1.00 0.00 C ATOM 500 NE2 HIS A 37 174.999 -1.163 -9.155 1.00 0.00 N ATOM 0 H HIS A 37 176.441 1.316 -3.762 1.00 0.00 H new ATOM 0 HA HIS A 37 177.101 -0.558 -5.972 1.00 0.00 H new ATOM 0 HB2 HIS A 37 175.007 1.364 -5.734 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.202 2.057 -6.813 1.00 0.00 H new ATOM 0 HD1 HIS A 37 173.295 0.958 -7.620 1.00 0.00 H new ATOM 0 HD2 HIS A 37 176.956 -0.999 -8.180 1.00 0.00 H new ATOM 0 HE1 HIS A 37 172.940 -0.706 -9.510 1.00 0.00 H new ATOM 509 N GLY A 38 179.255 0.670 -6.371 1.00 0.00 N ATOM 510 CA GLY A 38 180.506 1.396 -6.511 1.00 0.00 C ATOM 511 C GLY A 38 181.375 0.907 -7.648 1.00 0.00 C ATOM 512 O GLY A 38 181.465 -0.292 -7.904 1.00 0.00 O ATOM 0 H GLY A 38 179.241 -0.266 -6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.286 2.453 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.066 1.318 -5.579 1.00 0.00 H new ATOM 516 N LYS A 39 182.023 1.849 -8.322 1.00 0.00 N ATOM 517 CA LYS A 39 182.905 1.528 -9.435 1.00 0.00 C ATOM 518 C LYS A 39 184.340 1.920 -9.107 1.00 0.00 C ATOM 519 O LYS A 39 184.582 2.880 -8.371 1.00 0.00 O ATOM 520 CB LYS A 39 182.444 2.246 -10.704 1.00 0.00 C ATOM 521 CG LYS A 39 182.969 1.616 -11.985 1.00 0.00 C ATOM 522 CD LYS A 39 181.976 1.763 -13.128 1.00 0.00 C ATOM 523 CE LYS A 39 181.644 3.222 -13.398 1.00 0.00 C ATOM 524 NZ LYS A 39 180.344 3.619 -12.789 1.00 0.00 N ATOM 0 H LYS A 39 181.953 2.845 -8.115 1.00 0.00 H new ATOM 0 HA LYS A 39 182.866 0.452 -9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.354 2.252 -10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 39 182.768 3.286 -10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 39 183.914 2.084 -12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 39 183.174 0.559 -11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 39 182.389 1.311 -14.030 1.00 0.00 H new ATOM 0 HD3 LYS A 39 181.062 1.220 -12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 39 182.438 3.854 -13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 39 181.608 3.393 -14.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 180.073 4.562 -13.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 179.612 2.929 -13.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 180.439 3.643 -11.754 1.00 0.00 H new ATOM 538 N LEU A 40 185.288 1.169 -9.651 1.00 0.00 N ATOM 539 CA LEU A 40 186.703 1.433 -9.415 1.00 0.00 C ATOM 540 C LEU A 40 187.321 2.198 -10.582 1.00 0.00 C ATOM 541 O LEU A 40 187.230 1.773 -11.733 1.00 0.00 O ATOM 542 CB LEU A 40 187.460 0.122 -9.190 1.00 0.00 C ATOM 543 CG LEU A 40 188.949 0.277 -8.883 1.00 0.00 C ATOM 544 CD1 LEU A 40 189.160 0.597 -7.411 1.00 0.00 C ATOM 545 CD2 LEU A 40 189.708 -0.983 -9.269 1.00 0.00 C ATOM 0 H LEU A 40 185.104 0.371 -10.259 1.00 0.00 H new ATOM 0 HA LEU A 40 186.784 2.049 -8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 40 186.989 -0.414 -8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 40 187.351 -0.499 -10.079 1.00 0.00 H new ATOM 0 HG LEU A 40 189.337 1.106 -9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 40 190.226 0.704 -7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 40 188.649 1.528 -7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 40 188.756 -0.211 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 40 190.766 -0.854 -9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 40 189.317 -1.830 -8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 40 189.585 -1.169 -10.336 1.00 0.00 H new ATOM 557 N ASN A 41 187.953 3.325 -10.273 1.00 0.00 N ATOM 558 CA ASN A 41 188.592 4.152 -11.292 1.00 0.00 C ATOM 559 C ASN A 41 187.582 4.592 -12.351 1.00 0.00 C ATOM 560 O ASN A 41 187.801 4.399 -13.547 1.00 0.00 O ATOM 561 CB ASN A 41 189.742 3.387 -11.949 1.00 0.00 C ATOM 562 CG ASN A 41 190.786 4.311 -12.542 1.00 0.00 C ATOM 563 OD1 ASN A 41 190.466 5.222 -13.305 1.00 0.00 O ATOM 564 ND2 ASN A 41 192.047 4.082 -12.191 1.00 0.00 N ATOM 0 H ASN A 41 188.037 3.688 -9.323 1.00 0.00 H new ATOM 0 HA ASN A 41 188.989 5.043 -10.806 1.00 0.00 H new ATOM 0 HB2 ASN A 41 190.212 2.738 -11.210 1.00 0.00 H new ATOM 0 HB3 ASN A 41 189.345 2.742 -12.732 1.00 0.00 H new ATOM 0 HD21 ASN A 41 192.794 4.673 -12.557 1.00 0.00 H new ATOM 0 HD22 ASN A 41 192.268 3.316 -11.555 1.00 0.00 H new ATOM 571 N GLU A 42 186.485 5.194 -11.900 1.00 0.00 N ATOM 572 CA GLU A 42 185.442 5.674 -12.795 1.00 0.00 C ATOM 573 C GLU A 42 184.278 6.242 -11.996 1.00 0.00 C ATOM 574 O GLU A 42 183.537 5.509 -11.341 1.00 0.00 O ATOM 575 CB GLU A 42 184.939 4.564 -13.716 1.00 0.00 C ATOM 576 CG GLU A 42 184.000 5.076 -14.793 1.00 0.00 C ATOM 577 CD GLU A 42 183.595 3.998 -15.778 1.00 0.00 C ATOM 578 OE1 GLU A 42 184.337 3.000 -15.907 1.00 0.00 O ATOM 579 OE2 GLU A 42 182.535 4.150 -16.422 1.00 0.00 O ATOM 0 H GLU A 42 186.297 5.361 -10.912 1.00 0.00 H new ATOM 0 HA GLU A 42 185.877 6.460 -13.413 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.791 4.074 -14.186 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.425 3.809 -13.121 1.00 0.00 H new ATOM 0 HG2 GLU A 42 183.106 5.488 -14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 42 184.482 5.892 -15.332 1.00 0.00 H new ATOM 586 N GLU A 43 184.134 7.553 -12.055 1.00 0.00 N ATOM 587 CA GLU A 43 183.071 8.249 -11.339 1.00 0.00 C ATOM 588 C GLU A 43 181.695 7.733 -11.745 1.00 0.00 C ATOM 589 O GLU A 43 181.570 6.708 -12.415 1.00 0.00 O ATOM 590 CB GLU A 43 183.152 9.755 -11.598 1.00 0.00 C ATOM 591 CG GLU A 43 184.538 10.326 -11.394 1.00 0.00 C ATOM 592 CD GLU A 43 184.637 11.782 -11.804 1.00 0.00 C ATOM 593 OE1 GLU A 43 184.582 12.062 -13.020 1.00 0.00 O ATOM 594 OE2 GLU A 43 184.769 12.645 -10.908 1.00 0.00 O ATOM 0 H GLU A 43 184.744 8.166 -12.596 1.00 0.00 H new ATOM 0 HA GLU A 43 183.210 8.056 -10.275 1.00 0.00 H new ATOM 0 HB2 GLU A 43 182.830 9.958 -12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 43 182.455 10.268 -10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 43 184.816 10.229 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 43 185.256 9.741 -11.969 1.00 0.00 H new ATOM 656 N GLU A 48 174.360 4.825 -10.821 1.00 0.00 N ATOM 657 CA GLU A 48 174.974 4.028 -11.877 1.00 0.00 C ATOM 658 C GLU A 48 175.261 2.612 -11.390 1.00 0.00 C ATOM 659 O GLU A 48 175.548 2.395 -10.214 1.00 0.00 O ATOM 660 CB GLU A 48 176.270 4.687 -12.354 1.00 0.00 C ATOM 661 CG GLU A 48 176.045 5.919 -13.216 1.00 0.00 C ATOM 662 CD GLU A 48 175.630 5.572 -14.632 1.00 0.00 C ATOM 663 OE1 GLU A 48 174.919 4.562 -14.811 1.00 0.00 O ATOM 664 OE2 GLU A 48 176.020 6.311 -15.562 1.00 0.00 O ATOM 0 HA GLU A 48 174.274 3.973 -12.711 1.00 0.00 H new ATOM 0 HB2 GLU A 48 176.867 4.966 -11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 48 176.851 3.959 -12.920 1.00 0.00 H new ATOM 0 HG2 GLU A 48 175.277 6.542 -12.759 1.00 0.00 H new ATOM 0 HG3 GLU A 48 176.960 6.510 -13.244 1.00 0.00 H new ATOM 671 N ALA A 49 175.180 1.652 -12.306 1.00 0.00 N ATOM 672 CA ALA A 49 175.428 0.258 -11.976 1.00 0.00 C ATOM 673 C ALA A 49 176.808 0.065 -11.353 1.00 0.00 C ATOM 674 O ALA A 49 177.058 -0.936 -10.681 1.00 0.00 O ATOM 675 CB ALA A 49 175.280 -0.612 -13.216 1.00 0.00 C ATOM 0 H ALA A 49 174.944 1.817 -13.284 1.00 0.00 H new ATOM 0 HA ALA A 49 174.686 -0.046 -11.237 1.00 0.00 H new ATOM 0 HB1 ALA A 49 175.468 -1.653 -12.955 1.00 0.00 H new ATOM 0 HB2 ALA A 49 174.269 -0.514 -13.610 1.00 0.00 H new ATOM 0 HB3 ALA A 49 175.997 -0.292 -13.972 1.00 0.00 H new ATOM 681 N GLY A 50 177.702 1.027 -11.579 1.00 0.00 N ATOM 682 CA GLY A 50 179.048 0.948 -11.031 1.00 0.00 C ATOM 683 C GLY A 50 179.653 -0.439 -11.147 1.00 0.00 C ATOM 684 O GLY A 50 179.631 -1.048 -12.217 1.00 0.00 O ATOM 0 H GLY A 50 177.517 1.863 -12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 50 179.688 1.662 -11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 50 179.025 1.242 -9.982 1.00 0.00 H new ATOM 688 N HIS A 51 180.190 -0.938 -10.039 1.00 0.00 N ATOM 689 CA HIS A 51 180.799 -2.260 -10.013 1.00 0.00 C ATOM 690 C HIS A 51 180.250 -3.088 -8.858 1.00 0.00 C ATOM 691 O HIS A 51 179.497 -4.040 -9.068 1.00 0.00 O ATOM 692 CB HIS A 51 182.322 -2.149 -9.908 1.00 0.00 C ATOM 693 CG HIS A 51 183.045 -3.376 -10.371 1.00 0.00 C ATOM 694 ND1 HIS A 51 182.606 -4.161 -11.417 1.00 0.00 N ATOM 695 CD2 HIS A 51 184.186 -3.953 -9.923 1.00 0.00 C ATOM 696 CE1 HIS A 51 183.444 -5.167 -11.592 1.00 0.00 C ATOM 697 NE2 HIS A 51 184.411 -5.064 -10.700 1.00 0.00 N ATOM 0 H HIS A 51 180.215 -0.445 -9.146 1.00 0.00 H new ATOM 0 HA HIS A 51 180.549 -2.764 -10.946 1.00 0.00 H new ATOM 0 HB2 HIS A 51 182.657 -1.296 -10.497 1.00 0.00 H new ATOM 0 HB3 HIS A 51 182.593 -1.947 -8.872 1.00 0.00 H new ATOM 0 HD2 HIS A 51 184.803 -3.605 -9.108 1.00 0.00 H new ATOM 0 HE1 HIS A 51 183.353 -5.942 -12.338 1.00 0.00 H new ATOM 0 HE2 HIS A 51 185.198 -5.705 -10.603 1.00 0.00 H new ATOM 706 N TRP A 52 180.621 -2.718 -7.639 1.00 0.00 N ATOM 707 CA TRP A 52 180.154 -3.424 -6.455 1.00 0.00 C ATOM 708 C TRP A 52 178.688 -3.108 -6.198 1.00 0.00 C ATOM 709 O TRP A 52 178.367 -2.109 -5.560 1.00 0.00 O ATOM 710 CB TRP A 52 180.997 -3.037 -5.241 1.00 0.00 C ATOM 711 CG TRP A 52 182.442 -3.396 -5.388 1.00 0.00 C ATOM 712 CD1 TRP A 52 182.975 -4.651 -5.411 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.540 -2.489 -5.535 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.337 -4.582 -5.564 1.00 0.00 N ATOM 715 CE2 TRP A 52 184.710 -3.265 -5.641 1.00 0.00 C ATOM 716 CE3 TRP A 52 183.649 -1.096 -5.588 1.00 0.00 C ATOM 717 CZ2 TRP A 52 185.971 -2.693 -5.797 1.00 0.00 C ATOM 718 CZ3 TRP A 52 184.900 -0.530 -5.743 1.00 0.00 C ATOM 719 CH2 TRP A 52 186.047 -1.329 -5.846 1.00 0.00 C ATOM 0 H TRP A 52 181.243 -1.934 -7.445 1.00 0.00 H new ATOM 0 HA TRP A 52 180.257 -4.496 -6.625 1.00 0.00 H new ATOM 0 HB2 TRP A 52 180.911 -1.963 -5.075 1.00 0.00 H new ATOM 0 HB3 TRP A 52 180.595 -3.530 -4.356 1.00 0.00 H new ATOM 0 HD1 TRP A 52 182.408 -5.566 -5.322 1.00 0.00 H new ATOM 0 HE1 TRP A 52 184.969 -5.381 -5.613 1.00 0.00 H new ATOM 0 HE3 TRP A 52 182.770 -0.473 -5.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 186.857 -3.306 -5.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 184.995 0.545 -5.785 1.00 0.00 H new ATOM 0 HH2 TRP A 52 187.011 -0.857 -5.967 1.00 0.00 H new ATOM 730 N ALA A 53 177.806 -3.963 -6.709 1.00 0.00 N ATOM 731 CA ALA A 53 176.365 -3.785 -6.546 1.00 0.00 C ATOM 732 C ALA A 53 175.755 -4.949 -5.777 1.00 0.00 C ATOM 733 O ALA A 53 175.388 -5.965 -6.367 1.00 0.00 O ATOM 734 CB ALA A 53 175.697 -3.639 -7.905 1.00 0.00 C ATOM 0 H ALA A 53 178.066 -4.792 -7.243 1.00 0.00 H new ATOM 0 HA ALA A 53 176.196 -2.875 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.623 -3.507 -7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.108 -2.771 -8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 53 175.881 -4.534 -8.499 1.00 0.00 H new ATOM 740 N ARG A 54 175.666 -4.811 -4.461 1.00 0.00 N ATOM 741 CA ARG A 54 175.122 -5.871 -3.629 1.00 0.00 C ATOM 742 C ARG A 54 174.224 -5.326 -2.518 1.00 0.00 C ATOM 743 O ARG A 54 174.640 -4.477 -1.728 1.00 0.00 O ATOM 744 CB ARG A 54 176.276 -6.667 -3.035 1.00 0.00 C ATOM 745 CG ARG A 54 175.839 -7.818 -2.144 1.00 0.00 C ATOM 746 CD ARG A 54 176.005 -9.159 -2.841 1.00 0.00 C ATOM 747 NE ARG A 54 176.442 -10.204 -1.921 1.00 0.00 N ATOM 748 CZ ARG A 54 175.668 -10.732 -0.976 1.00 0.00 C ATOM 749 NH1 ARG A 54 174.418 -10.314 -0.823 1.00 0.00 N ATOM 750 NH2 ARG A 54 176.145 -11.682 -0.182 1.00 0.00 N ATOM 0 H ARG A 54 175.962 -3.979 -3.950 1.00 0.00 H new ATOM 0 HA ARG A 54 174.499 -6.514 -4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 54 176.888 -7.061 -3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 54 176.909 -5.994 -2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 54 176.425 -7.810 -1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 54 174.796 -7.682 -1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 54 175.059 -9.450 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 54 176.731 -9.060 -3.648 1.00 0.00 H new ATOM 0 HE ARG A 54 177.398 -10.550 -2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 54 174.046 -9.585 -1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 54 173.829 -10.722 -0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 54 177.105 -12.008 -0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 54 175.552 -12.087 0.542 1.00 0.00 H new ATOM 764 N ASP A 55 172.995 -5.835 -2.460 1.00 0.00 N ATOM 765 CA ASP A 55 172.030 -5.422 -1.447 1.00 0.00 C ATOM 766 C ASP A 55 172.208 -6.248 -0.176 1.00 0.00 C ATOM 767 O ASP A 55 172.274 -7.477 -0.230 1.00 0.00 O ATOM 768 CB ASP A 55 170.608 -5.591 -1.982 1.00 0.00 C ATOM 769 CG ASP A 55 170.382 -6.945 -2.625 1.00 0.00 C ATOM 770 OD1 ASP A 55 170.749 -7.109 -3.807 1.00 0.00 O ATOM 771 OD2 ASP A 55 169.837 -7.842 -1.946 1.00 0.00 O ATOM 0 H ASP A 55 172.643 -6.539 -3.109 1.00 0.00 H new ATOM 0 HA ASP A 55 172.201 -4.372 -1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 55 169.899 -5.458 -1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.403 -4.808 -2.712 1.00 0.00 H new ATOM 776 N ILE A 56 172.292 -5.573 0.966 1.00 0.00 N ATOM 777 CA ILE A 56 172.470 -6.260 2.242 1.00 0.00 C ATOM 778 C ILE A 56 171.216 -6.162 3.105 1.00 0.00 C ATOM 779 O ILE A 56 170.438 -5.215 2.985 1.00 0.00 O ATOM 780 CB ILE A 56 173.665 -5.688 3.029 1.00 0.00 C ATOM 781 CG1 ILE A 56 174.862 -5.473 2.101 1.00 0.00 C ATOM 782 CG2 ILE A 56 174.039 -6.615 4.175 1.00 0.00 C ATOM 783 CD1 ILE A 56 176.066 -4.881 2.798 1.00 0.00 C ATOM 0 H ILE A 56 172.240 -4.557 1.035 1.00 0.00 H new ATOM 0 HA ILE A 56 172.665 -7.307 2.008 1.00 0.00 H new ATOM 0 HB ILE A 56 173.375 -4.724 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 56 175.143 -6.428 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 56 174.565 -4.815 1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 56 174.885 -6.196 4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 56 173.189 -6.721 4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 56 174.312 -7.593 3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 56 176.877 -4.756 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 56 175.802 -3.911 3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 56 176.389 -5.549 3.597 1.00 0.00 H new ATOM 795 N THR A 57 171.029 -7.148 3.978 1.00 0.00 N ATOM 796 CA THR A 57 169.874 -7.177 4.866 1.00 0.00 C ATOM 797 C THR A 57 170.247 -7.762 6.226 1.00 0.00 C ATOM 798 O THR A 57 169.407 -8.339 6.916 1.00 0.00 O ATOM 799 CB THR A 57 168.741 -7.994 4.240 1.00 0.00 C ATOM 800 OG1 THR A 57 169.082 -9.368 4.195 1.00 0.00 O ATOM 801 CG2 THR A 57 168.400 -7.560 2.832 1.00 0.00 C ATOM 0 H THR A 57 171.665 -7.938 4.088 1.00 0.00 H new ATOM 0 HA THR A 57 169.535 -6.151 5.012 1.00 0.00 H new ATOM 0 HB THR A 57 167.873 -7.822 4.876 1.00 0.00 H new ATOM 0 HG1 THR A 57 168.346 -9.875 3.794 1.00 0.00 H new ATOM 0 HG21 THR A 57 167.590 -8.179 2.447 1.00 0.00 H new ATOM 0 HG22 THR A 57 168.087 -6.516 2.839 1.00 0.00 H new ATOM 0 HG23 THR A 57 169.277 -7.672 2.194 1.00 0.00 H new ATOM 809 N LYS A 58 171.513 -7.610 6.603 1.00 0.00 N ATOM 810 CA LYS A 58 171.999 -8.122 7.879 1.00 0.00 C ATOM 811 C LYS A 58 173.159 -7.274 8.398 1.00 0.00 C ATOM 812 O LYS A 58 174.324 -7.572 8.137 1.00 0.00 O ATOM 813 CB LYS A 58 172.443 -9.578 7.732 1.00 0.00 C ATOM 814 CG LYS A 58 172.085 -10.449 8.925 1.00 0.00 C ATOM 815 CD LYS A 58 173.076 -10.268 10.063 1.00 0.00 C ATOM 816 CE LYS A 58 173.371 -11.588 10.759 1.00 0.00 C ATOM 817 NZ LYS A 58 172.123 -12.311 11.130 1.00 0.00 N ATOM 0 H LYS A 58 172.221 -7.136 6.042 1.00 0.00 H new ATOM 0 HA LYS A 58 171.182 -8.070 8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 58 171.987 -9.999 6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 58 173.522 -9.606 7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 58 171.082 -10.200 9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 58 172.066 -11.495 8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 58 174.003 -9.844 9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 58 172.677 -9.556 10.785 1.00 0.00 H new ATOM 0 HE2 LYS A 58 173.974 -12.217 10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 58 173.963 -11.402 11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 172.333 -13.005 11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 171.418 -11.630 11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 171.745 -12.803 10.295 1.00 0.00 H new ATOM 831 N PRO A 59 172.851 -6.196 9.140 1.00 0.00 N ATOM 832 CA PRO A 59 173.868 -5.295 9.694 1.00 0.00 C ATOM 833 C PRO A 59 174.738 -5.975 10.743 1.00 0.00 C ATOM 834 O PRO A 59 174.665 -7.188 10.941 1.00 0.00 O ATOM 835 CB PRO A 59 173.051 -4.173 10.353 1.00 0.00 C ATOM 836 CG PRO A 59 171.674 -4.307 9.798 1.00 0.00 C ATOM 837 CD PRO A 59 171.491 -5.763 9.494 1.00 0.00 C ATOM 0 HA PRO A 59 174.552 -4.949 8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 59 173.049 -4.274 11.438 1.00 0.00 H new ATOM 0 HB3 PRO A 59 173.473 -3.194 10.125 1.00 0.00 H new ATOM 0 HG2 PRO A 59 170.929 -3.961 10.515 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.555 -3.703 8.899 1.00 0.00 H new ATOM 0 HD2 PRO A 59 171.103 -6.310 10.353 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.790 -5.920 8.674 1.00 0.00 H new ATOM 845 N LYS A 60 175.542 -5.171 11.427 1.00 0.00 N ATOM 846 CA LYS A 60 176.413 -5.673 12.484 1.00 0.00 C ATOM 847 C LYS A 60 176.094 -4.955 13.795 1.00 0.00 C ATOM 848 O LYS A 60 176.933 -4.859 14.693 1.00 0.00 O ATOM 849 CB LYS A 60 177.893 -5.501 12.090 1.00 0.00 C ATOM 850 CG LYS A 60 178.589 -4.296 12.714 1.00 0.00 C ATOM 851 CD LYS A 60 179.832 -3.905 11.931 1.00 0.00 C ATOM 852 CE LYS A 60 181.090 -4.495 12.549 1.00 0.00 C ATOM 853 NZ LYS A 60 180.903 -5.920 12.939 1.00 0.00 N ATOM 0 H LYS A 60 175.610 -4.166 11.269 1.00 0.00 H new ATOM 0 HA LYS A 60 176.235 -6.739 12.625 1.00 0.00 H new ATOM 0 HB2 LYS A 60 178.436 -6.403 12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 60 177.957 -5.418 11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 60 177.899 -3.453 12.748 1.00 0.00 H new ATOM 0 HG3 LYS A 60 178.863 -4.525 13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 60 179.737 -4.248 10.901 1.00 0.00 H new ATOM 0 HD3 LYS A 60 179.916 -2.819 11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 60 181.913 -4.418 11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 60 181.371 -3.913 13.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 181.830 -6.356 13.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 180.327 -5.971 13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 180.421 -6.430 12.171 1.00 0.00 H new ATOM 867 N GLU A 61 174.866 -4.449 13.884 1.00 0.00 N ATOM 868 CA GLU A 61 174.394 -3.723 15.057 1.00 0.00 C ATOM 869 C GLU A 61 174.845 -2.278 14.999 1.00 0.00 C ATOM 870 O GLU A 61 175.935 -1.929 15.454 1.00 0.00 O ATOM 871 CB GLU A 61 174.865 -4.387 16.355 1.00 0.00 C ATOM 872 CG GLU A 61 173.755 -4.576 17.379 1.00 0.00 C ATOM 873 CD GLU A 61 174.285 -4.940 18.752 1.00 0.00 C ATOM 874 OE1 GLU A 61 175.121 -5.863 18.839 1.00 0.00 O ATOM 875 OE2 GLU A 61 173.861 -4.303 19.739 1.00 0.00 O ATOM 0 H GLU A 61 174.170 -4.532 13.143 1.00 0.00 H new ATOM 0 HA GLU A 61 173.304 -3.749 15.052 1.00 0.00 H new ATOM 0 HB2 GLU A 61 175.300 -5.358 16.120 1.00 0.00 H new ATOM 0 HB3 GLU A 61 175.657 -3.782 16.797 1.00 0.00 H new ATOM 0 HG2 GLU A 61 173.171 -3.658 17.450 1.00 0.00 H new ATOM 0 HG3 GLU A 61 173.078 -5.358 17.036 1.00 0.00 H new ATOM 882 N GLY A 62 173.998 -1.444 14.410 1.00 0.00 N ATOM 883 CA GLY A 62 174.318 -0.043 14.269 1.00 0.00 C ATOM 884 C GLY A 62 175.327 0.194 13.165 1.00 0.00 C ATOM 885 O GLY A 62 175.728 1.332 12.921 1.00 0.00 O ATOM 0 H GLY A 62 173.093 -1.717 14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 62 173.408 0.518 14.057 1.00 0.00 H new ATOM 0 HA3 GLY A 62 174.714 0.336 15.211 1.00 0.00 H new ATOM 889 N ARG A 63 175.749 -0.882 12.494 1.00 0.00 N ATOM 890 CA ARG A 63 176.725 -0.754 11.412 1.00 0.00 C ATOM 891 C ARG A 63 176.679 -1.933 10.442 1.00 0.00 C ATOM 892 O ARG A 63 176.911 -3.074 10.838 1.00 0.00 O ATOM 893 CB ARG A 63 178.134 -0.622 11.996 1.00 0.00 C ATOM 894 CG ARG A 63 178.717 0.778 11.877 1.00 0.00 C ATOM 895 CD ARG A 63 178.614 1.543 13.188 1.00 0.00 C ATOM 896 NE ARG A 63 179.913 2.035 13.637 1.00 0.00 N ATOM 897 CZ ARG A 63 180.866 1.255 14.144 1.00 0.00 C ATOM 898 NH1 ARG A 63 180.669 -0.051 14.267 1.00 0.00 N ATOM 899 NH2 ARG A 63 182.019 1.784 14.528 1.00 0.00 N ATOM 0 H ARG A 63 175.436 -1.835 12.678 1.00 0.00 H new ATOM 0 HA ARG A 63 176.466 0.142 10.848 1.00 0.00 H new ATOM 0 HB2 ARG A 63 178.110 -0.908 13.048 1.00 0.00 H new ATOM 0 HB3 ARG A 63 178.795 -1.325 11.490 1.00 0.00 H new ATOM 0 HG2 ARG A 63 179.762 0.713 11.575 1.00 0.00 H new ATOM 0 HG3 ARG A 63 178.192 1.325 11.094 1.00 0.00 H new ATOM 0 HD2 ARG A 63 177.931 2.383 13.065 1.00 0.00 H new ATOM 0 HD3 ARG A 63 178.187 0.895 13.954 1.00 0.00 H new ATOM 0 HE ARG A 63 180.102 3.034 13.558 1.00 0.00 H new ATOM 0 HH11 ARG A 63 179.784 -0.463 13.972 1.00 0.00 H new ATOM 0 HH12 ARG A 63 181.403 -0.643 14.656 1.00 0.00 H new ATOM 0 HH21 ARG A 63 182.176 2.788 14.435 1.00 0.00 H new ATOM 0 HH22 ARG A 63 182.750 1.188 14.916 1.00 0.00 H new ATOM 913 N TRP A 64 176.426 -1.658 9.162 1.00 0.00 N ATOM 914 CA TRP A 64 176.414 -2.712 8.164 1.00 0.00 C ATOM 915 C TRP A 64 177.840 -2.989 7.715 1.00 0.00 C ATOM 916 O TRP A 64 178.720 -2.136 7.853 1.00 0.00 O ATOM 917 CB TRP A 64 175.572 -2.329 6.953 1.00 0.00 C ATOM 918 CG TRP A 64 174.163 -1.939 7.277 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.756 -0.870 8.020 1.00 0.00 C ATOM 920 CD2 TRP A 64 172.968 -2.614 6.856 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.384 -0.843 8.093 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.878 -1.900 7.384 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.716 -3.753 6.084 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.557 -2.285 7.167 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.402 -4.135 5.870 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.338 -3.402 6.410 1.00 0.00 C ATOM 0 H TRP A 64 176.230 -0.724 8.801 1.00 0.00 H new ATOM 0 HA TRP A 64 175.974 -3.602 8.614 1.00 0.00 H new ATOM 0 HB2 TRP A 64 176.056 -1.500 6.437 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.553 -3.169 6.259 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.415 -0.151 8.483 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.831 -0.148 8.595 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.531 -4.324 5.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.735 -1.721 7.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.194 -5.013 5.277 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.324 -3.726 6.225 1.00 0.00 H new ATOM 937 N THR A 65 178.058 -4.182 7.184 1.00 0.00 N ATOM 938 CA THR A 65 179.381 -4.579 6.721 1.00 0.00 C ATOM 939 C THR A 65 179.319 -5.244 5.352 1.00 0.00 C ATOM 940 O THR A 65 178.683 -6.283 5.180 1.00 0.00 O ATOM 941 CB THR A 65 180.029 -5.529 7.730 1.00 0.00 C ATOM 942 OG1 THR A 65 179.447 -5.374 9.010 1.00 0.00 O ATOM 943 CG2 THR A 65 181.520 -5.322 7.874 1.00 0.00 C ATOM 0 H THR A 65 177.337 -4.893 7.062 1.00 0.00 H new ATOM 0 HA THR A 65 179.985 -3.676 6.631 1.00 0.00 H new ATOM 0 HB THR A 65 179.855 -6.531 7.337 1.00 0.00 H new ATOM 0 HG1 THR A 65 179.946 -5.908 9.663 1.00 0.00 H new ATOM 0 HG21 THR A 65 181.916 -6.027 8.604 1.00 0.00 H new ATOM 0 HG22 THR A 65 182.005 -5.485 6.911 1.00 0.00 H new ATOM 0 HG23 THR A 65 181.715 -4.304 8.210 1.00 0.00 H new ATOM 951 N PHE A 66 180.001 -4.644 4.384 1.00 0.00 N ATOM 952 CA PHE A 66 180.044 -5.179 3.028 1.00 0.00 C ATOM 953 C PHE A 66 181.486 -5.435 2.602 1.00 0.00 C ATOM 954 O PHE A 66 182.168 -4.536 2.110 1.00 0.00 O ATOM 955 CB PHE A 66 179.372 -4.216 2.048 1.00 0.00 C ATOM 956 CG PHE A 66 179.354 -4.719 0.634 1.00 0.00 C ATOM 957 CD1 PHE A 66 178.841 -5.971 0.337 1.00 0.00 C ATOM 958 CD2 PHE A 66 179.852 -3.941 -0.397 1.00 0.00 C ATOM 959 CE1 PHE A 66 178.826 -6.439 -0.964 1.00 0.00 C ATOM 960 CE2 PHE A 66 179.838 -4.401 -1.700 1.00 0.00 C ATOM 961 CZ PHE A 66 179.325 -5.652 -1.983 1.00 0.00 C ATOM 0 H PHE A 66 180.534 -3.784 4.513 1.00 0.00 H new ATOM 0 HA PHE A 66 179.501 -6.124 3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.348 -4.034 2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 66 179.891 -3.258 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 66 178.448 -6.589 1.131 1.00 0.00 H new ATOM 0 HD2 PHE A 66 180.256 -2.963 -0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 66 178.425 -7.418 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 66 180.228 -3.783 -2.496 1.00 0.00 H new ATOM 0 HZ PHE A 66 179.314 -6.014 -3.000 1.00 0.00 H new ATOM 971 N ARG A 67 181.948 -6.666 2.803 1.00 0.00 N ATOM 972 CA ARG A 67 183.314 -7.038 2.448 1.00 0.00 C ATOM 973 C ARG A 67 183.373 -7.681 1.066 1.00 0.00 C ATOM 974 O ARG A 67 182.475 -8.427 0.676 1.00 0.00 O ATOM 975 CB ARG A 67 183.888 -7.999 3.492 1.00 0.00 C ATOM 976 CG ARG A 67 184.649 -7.304 4.608 1.00 0.00 C ATOM 977 CD ARG A 67 186.139 -7.239 4.311 1.00 0.00 C ATOM 978 NE ARG A 67 186.685 -8.546 3.955 1.00 0.00 N ATOM 979 CZ ARG A 67 187.020 -9.477 4.845 1.00 0.00 C ATOM 980 NH1 ARG A 67 186.861 -9.253 6.144 1.00 0.00 N ATOM 981 NH2 ARG A 67 187.512 -10.638 4.436 1.00 0.00 N ATOM 0 H ARG A 67 181.397 -7.422 3.209 1.00 0.00 H new ATOM 0 HA ARG A 67 183.913 -6.127 2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 67 183.073 -8.579 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 67 184.553 -8.706 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 67 184.259 -6.295 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 67 184.487 -7.835 5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 67 186.315 -6.538 3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 67 186.666 -6.852 5.183 1.00 0.00 H new ATOM 0 HE ARG A 67 186.817 -8.758 2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 67 186.480 -8.363 6.465 1.00 0.00 H new ATOM 0 HH12 ARG A 67 187.120 -9.971 6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 67 187.634 -10.818 3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 67 187.769 -11.352 5.118 1.00 0.00 H new ATOM 995 N ASP A 68 184.443 -7.389 0.332 1.00 0.00 N ATOM 996 CA ASP A 68 184.632 -7.940 -1.005 1.00 0.00 C ATOM 997 C ASP A 68 186.083 -8.366 -1.210 1.00 0.00 C ATOM 998 O ASP A 68 186.931 -7.557 -1.582 1.00 0.00 O ATOM 999 CB ASP A 68 184.233 -6.912 -2.066 1.00 0.00 C ATOM 1000 CG ASP A 68 182.810 -7.105 -2.552 1.00 0.00 C ATOM 1001 OD1 ASP A 68 181.898 -7.179 -1.701 1.00 0.00 O ATOM 1002 OD2 ASP A 68 182.608 -7.183 -3.781 1.00 0.00 O ATOM 0 H ASP A 68 185.194 -6.772 0.642 1.00 0.00 H new ATOM 0 HA ASP A 68 183.994 -8.818 -1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 68 184.340 -5.909 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 68 184.916 -6.984 -2.912 1.00 0.00 H new ATOM 1007 N ARG A 69 186.361 -9.644 -0.960 1.00 0.00 N ATOM 1008 CA ARG A 69 187.711 -10.183 -1.110 1.00 0.00 C ATOM 1009 C ARG A 69 187.956 -10.700 -2.527 1.00 0.00 C ATOM 1010 O ARG A 69 188.831 -11.538 -2.746 1.00 0.00 O ATOM 1011 CB ARG A 69 187.944 -11.307 -0.099 1.00 0.00 C ATOM 1012 CG ARG A 69 187.058 -12.521 -0.324 1.00 0.00 C ATOM 1013 CD ARG A 69 187.130 -13.487 0.850 1.00 0.00 C ATOM 1014 NE ARG A 69 186.296 -14.668 0.637 1.00 0.00 N ATOM 1015 CZ ARG A 69 184.976 -14.682 0.803 1.00 0.00 C ATOM 1016 NH1 ARG A 69 184.335 -13.583 1.183 1.00 0.00 N ATOM 1017 NH2 ARG A 69 184.293 -15.799 0.588 1.00 0.00 N ATOM 0 H ARG A 69 185.668 -10.326 -0.652 1.00 0.00 H new ATOM 0 HA ARG A 69 188.415 -9.372 -0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 69 188.988 -11.616 -0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 69 187.770 -10.922 0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 69 186.027 -12.199 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 69 187.364 -13.032 -1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 69 188.164 -13.796 1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 69 186.812 -12.977 1.759 1.00 0.00 H new ATOM 0 HE ARG A 69 186.752 -15.532 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 69 184.855 -12.721 1.349 1.00 0.00 H new ATOM 0 HH12 ARG A 69 183.323 -13.601 1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 69 184.780 -16.646 0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 69 183.281 -15.810 0.715 1.00 0.00 H new ATOM 1031 N ASN A 70 187.182 -10.201 -3.487 1.00 0.00 N ATOM 1032 CA ASN A 70 187.323 -10.621 -4.877 1.00 0.00 C ATOM 1033 C ASN A 70 187.502 -9.418 -5.796 1.00 0.00 C ATOM 1034 O ASN A 70 187.127 -9.458 -6.967 1.00 0.00 O ATOM 1035 CB ASN A 70 186.101 -11.432 -5.313 1.00 0.00 C ATOM 1036 CG ASN A 70 186.123 -12.848 -4.772 1.00 0.00 C ATOM 1037 OD1 ASN A 70 186.991 -13.208 -3.977 1.00 0.00 O ATOM 1038 ND2 ASN A 70 185.165 -13.660 -5.202 1.00 0.00 N ATOM 0 H ASN A 70 186.452 -9.507 -3.328 1.00 0.00 H new ATOM 0 HA ASN A 70 188.213 -11.247 -4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 70 185.195 -10.930 -4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 70 186.059 -11.463 -6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 70 185.128 -14.625 -4.873 1.00 0.00 H new ATOM 0 HD22 ASN A 70 184.465 -13.319 -5.861 1.00 0.00 H new ATOM 1045 N ALA A 71 188.077 -8.348 -5.256 1.00 0.00 N ATOM 1046 CA ALA A 71 188.308 -7.134 -6.030 1.00 0.00 C ATOM 1047 C ALA A 71 189.798 -6.881 -6.216 1.00 0.00 C ATOM 1048 O ALA A 71 190.507 -6.558 -5.263 1.00 0.00 O ATOM 1049 CB ALA A 71 187.648 -5.942 -5.352 1.00 0.00 C ATOM 0 H ALA A 71 188.391 -8.297 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 71 187.862 -7.269 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.829 -5.043 -5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.575 -6.116 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 71 188.067 -5.813 -4.354 1.00 0.00 H new ATOM 1055 N LYS A 72 190.269 -7.030 -7.449 1.00 0.00 N ATOM 1056 CA LYS A 72 191.677 -6.819 -7.758 1.00 0.00 C ATOM 1057 C LYS A 72 192.015 -5.332 -7.753 1.00 0.00 C ATOM 1058 O LYS A 72 192.173 -4.715 -8.807 1.00 0.00 O ATOM 1059 CB LYS A 72 192.017 -7.427 -9.120 1.00 0.00 C ATOM 1060 CG LYS A 72 193.504 -7.648 -9.331 1.00 0.00 C ATOM 1061 CD LYS A 72 193.911 -9.072 -8.993 1.00 0.00 C ATOM 1062 CE LYS A 72 195.033 -9.560 -9.895 1.00 0.00 C ATOM 1063 NZ LYS A 72 194.875 -10.998 -10.251 1.00 0.00 N ATOM 0 H LYS A 72 189.696 -7.296 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 72 192.272 -7.312 -6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 72 191.498 -8.380 -9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 72 191.640 -6.772 -9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 72 193.761 -7.432 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 72 194.068 -6.951 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 72 194.231 -9.123 -7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 72 193.049 -9.731 -9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 72 195.053 -8.961 -10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 72 195.990 -9.413 -9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 195.660 -11.291 -10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 194.881 -11.573 -9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 193.973 -11.135 -10.751 1.00 0.00 H new ATOM 1077 N LEU A 73 192.128 -4.762 -6.558 1.00 0.00 N ATOM 1078 CA LEU A 73 192.449 -3.348 -6.412 1.00 0.00 C ATOM 1079 C LEU A 73 193.958 -3.132 -6.417 1.00 0.00 C ATOM 1080 O LEU A 73 194.724 -4.023 -6.050 1.00 0.00 O ATOM 1081 CB LEU A 73 191.848 -2.796 -5.117 1.00 0.00 C ATOM 1082 CG LEU A 73 190.383 -3.161 -4.875 1.00 0.00 C ATOM 1083 CD1 LEU A 73 190.064 -3.126 -3.388 1.00 0.00 C ATOM 1084 CD2 LEU A 73 189.467 -2.219 -5.641 1.00 0.00 C ATOM 0 H LEU A 73 192.002 -5.259 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 73 192.019 -2.814 -7.259 1.00 0.00 H new ATOM 0 HB2 LEU A 73 192.440 -3.158 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 73 191.939 -1.710 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 73 190.215 -4.175 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 73 189.017 -3.388 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 73 190.698 -3.840 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 73 190.248 -2.124 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.428 -2.493 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 73 189.637 -1.195 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 73 189.679 -2.293 -6.708 1.00 0.00 H new ATOM 1096 N LYS A 74 194.382 -1.944 -6.836 1.00 0.00 N ATOM 1097 CA LYS A 74 195.800 -1.615 -6.886 1.00 0.00 C ATOM 1098 C LYS A 74 196.060 -0.237 -6.288 1.00 0.00 C ATOM 1099 O LYS A 74 195.264 0.686 -6.453 1.00 0.00 O ATOM 1100 CB LYS A 74 196.307 -1.666 -8.330 1.00 0.00 C ATOM 1101 CG LYS A 74 197.557 -2.513 -8.508 1.00 0.00 C ATOM 1102 CD LYS A 74 197.232 -3.864 -9.125 1.00 0.00 C ATOM 1103 CE LYS A 74 198.495 -4.646 -9.451 1.00 0.00 C ATOM 1104 NZ LYS A 74 199.009 -4.328 -10.811 1.00 0.00 N ATOM 0 H LYS A 74 193.763 -1.194 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 74 196.341 -2.354 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 74 195.517 -2.060 -8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 74 196.515 -0.651 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 74 198.269 -1.984 -9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 74 198.039 -2.660 -7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 74 196.613 -4.440 -8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 74 196.648 -3.719 -10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 74 199.263 -4.421 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 74 198.289 -5.714 -9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 199.870 -4.881 -10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 198.286 -4.567 -11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 199.230 -3.313 -10.870 1.00 0.00 H new ATOM 1118 N LEU A 75 197.183 -0.110 -5.589 1.00 0.00 N ATOM 1119 CA LEU A 75 197.558 1.151 -4.957 1.00 0.00 C ATOM 1120 C LEU A 75 197.565 2.294 -5.964 1.00 0.00 C ATOM 1121 O LEU A 75 198.127 2.176 -7.054 1.00 0.00 O ATOM 1122 CB LEU A 75 198.938 1.018 -4.307 1.00 0.00 C ATOM 1123 CG LEU A 75 199.129 1.815 -3.017 1.00 0.00 C ATOM 1124 CD1 LEU A 75 200.062 1.078 -2.069 1.00 0.00 C ATOM 1125 CD2 LEU A 75 199.669 3.204 -3.323 1.00 0.00 C ATOM 0 H LEU A 75 197.851 -0.867 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 75 196.816 1.380 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 75 199.122 -0.035 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.693 1.335 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 75 198.159 1.922 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 75 200.187 1.660 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 75 199.637 0.105 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 75 201.032 0.941 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 75 199.799 3.757 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 75 200.630 3.117 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 75 198.966 3.734 -3.965 1.00 0.00 H new ATOM 1137 N GLY A 76 196.933 3.401 -5.591 1.00 0.00 N ATOM 1138 CA GLY A 76 196.871 4.553 -6.468 1.00 0.00 C ATOM 1139 C GLY A 76 195.488 4.756 -7.048 1.00 0.00 C ATOM 1140 O GLY A 76 195.097 5.880 -7.364 1.00 0.00 O ATOM 0 H GLY A 76 196.462 3.520 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 76 197.166 5.445 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.589 4.429 -7.279 1.00 0.00 H new ATOM 1144 N ASP A 77 194.749 3.663 -7.191 1.00 0.00 N ATOM 1145 CA ASP A 77 193.407 3.715 -7.740 1.00 0.00 C ATOM 1146 C ASP A 77 192.483 4.544 -6.853 1.00 0.00 C ATOM 1147 O ASP A 77 192.777 4.786 -5.680 1.00 0.00 O ATOM 1148 CB ASP A 77 192.850 2.300 -7.904 1.00 0.00 C ATOM 1149 CG ASP A 77 191.645 2.257 -8.823 1.00 0.00 C ATOM 1150 OD1 ASP A 77 190.563 2.723 -8.409 1.00 0.00 O ATOM 1151 OD2 ASP A 77 191.784 1.755 -9.959 1.00 0.00 O ATOM 0 H ASP A 77 195.062 2.727 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 77 193.458 4.194 -8.718 1.00 0.00 H new ATOM 0 HB2 ASP A 77 193.629 1.649 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.572 1.906 -6.926 1.00 0.00 H new ATOM 1156 N LYS A 78 191.361 4.973 -7.423 1.00 0.00 N ATOM 1157 CA LYS A 78 190.383 5.770 -6.693 1.00 0.00 C ATOM 1158 C LYS A 78 189.029 5.065 -6.676 1.00 0.00 C ATOM 1159 O LYS A 78 188.756 4.203 -7.511 1.00 0.00 O ATOM 1160 CB LYS A 78 190.243 7.153 -7.332 1.00 0.00 C ATOM 1161 CG LYS A 78 189.447 8.135 -6.489 1.00 0.00 C ATOM 1162 CD LYS A 78 189.531 9.547 -7.048 1.00 0.00 C ATOM 1163 CE LYS A 78 190.877 10.188 -6.747 1.00 0.00 C ATOM 1164 NZ LYS A 78 191.062 11.465 -7.488 1.00 0.00 N ATOM 0 H LYS A 78 191.107 4.781 -8.392 1.00 0.00 H new ATOM 0 HA LYS A 78 190.731 5.888 -5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.237 7.563 -7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.761 7.048 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 78 188.404 7.820 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 78 189.822 8.125 -5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 78 189.372 9.522 -8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 78 188.734 10.156 -6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 78 190.959 10.375 -5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 78 191.676 9.496 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 191.991 11.870 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 191.010 11.284 -8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 190.315 12.135 -7.217 1.00 0.00 H new ATOM 1178 N ILE A 79 188.193 5.426 -5.711 1.00 0.00 N ATOM 1179 CA ILE A 79 186.873 4.818 -5.572 1.00 0.00 C ATOM 1180 C ILE A 79 185.746 5.834 -5.766 1.00 0.00 C ATOM 1181 O ILE A 79 185.859 6.992 -5.368 1.00 0.00 O ATOM 1182 CB ILE A 79 186.723 4.075 -4.224 1.00 0.00 C ATOM 1183 CG1 ILE A 79 187.066 2.596 -4.415 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.313 4.214 -3.661 1.00 0.00 C ATOM 1185 CD1 ILE A 79 188.549 2.334 -4.572 1.00 0.00 C ATOM 0 H ILE A 79 188.405 6.138 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 79 186.786 4.081 -6.370 1.00 0.00 H new ATOM 0 HB ILE A 79 187.411 4.525 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 79 186.694 2.032 -3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 79 186.544 2.221 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.245 3.679 -2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 79 185.088 5.268 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 79 184.596 3.794 -4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 79 188.718 1.265 -4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 79 188.923 2.870 -5.444 1.00 0.00 H new ATOM 0 HD13 ILE A 79 189.075 2.678 -3.682 1.00 0.00 H new ATOM 1197 N TYR A 80 184.646 5.369 -6.352 1.00 0.00 N ATOM 1198 CA TYR A 80 183.468 6.200 -6.574 1.00 0.00 C ATOM 1199 C TYR A 80 182.216 5.347 -6.397 1.00 0.00 C ATOM 1200 O TYR A 80 182.103 4.285 -7.008 1.00 0.00 O ATOM 1201 CB TYR A 80 183.502 6.824 -7.971 1.00 0.00 C ATOM 1202 CG TYR A 80 184.341 8.081 -8.043 1.00 0.00 C ATOM 1203 CD1 TYR A 80 183.789 9.324 -7.760 1.00 0.00 C ATOM 1204 CD2 TYR A 80 185.687 8.024 -8.387 1.00 0.00 C ATOM 1205 CE1 TYR A 80 184.552 10.475 -7.819 1.00 0.00 C ATOM 1206 CE2 TYR A 80 186.457 9.170 -8.448 1.00 0.00 C ATOM 1207 CZ TYR A 80 185.885 10.392 -8.163 1.00 0.00 C ATOM 1208 OH TYR A 80 186.648 11.536 -8.222 1.00 0.00 O ATOM 0 H TYR A 80 184.547 4.410 -6.685 1.00 0.00 H new ATOM 0 HA TYR A 80 183.458 7.013 -5.848 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.893 6.093 -8.679 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.484 7.056 -8.283 1.00 0.00 H new ATOM 0 HD1 TYR A 80 182.746 9.392 -7.489 1.00 0.00 H new ATOM 0 HD2 TYR A 80 186.138 7.068 -8.610 1.00 0.00 H new ATOM 0 HE1 TYR A 80 184.107 11.434 -7.597 1.00 0.00 H new ATOM 0 HE2 TYR A 80 187.501 9.109 -8.717 1.00 0.00 H new ATOM 0 HH TYR A 80 187.565 11.305 -8.478 1.00 0.00 H new ATOM 1218 N PHE A 81 181.290 5.779 -5.540 1.00 0.00 N ATOM 1219 CA PHE A 81 180.089 4.985 -5.299 1.00 0.00 C ATOM 1220 C PHE A 81 178.919 5.798 -4.763 1.00 0.00 C ATOM 1221 O PHE A 81 178.979 7.021 -4.631 1.00 0.00 O ATOM 1222 CB PHE A 81 180.401 3.875 -4.291 1.00 0.00 C ATOM 1223 CG PHE A 81 181.186 4.342 -3.095 1.00 0.00 C ATOM 1224 CD1 PHE A 81 180.711 5.373 -2.297 1.00 0.00 C ATOM 1225 CD2 PHE A 81 182.392 3.747 -2.764 1.00 0.00 C ATOM 1226 CE1 PHE A 81 181.426 5.802 -1.197 1.00 0.00 C ATOM 1227 CE2 PHE A 81 183.110 4.173 -1.661 1.00 0.00 C ATOM 1228 CZ PHE A 81 182.627 5.201 -0.878 1.00 0.00 C ATOM 0 H PHE A 81 181.346 6.651 -5.014 1.00 0.00 H new ATOM 0 HA PHE A 81 179.794 4.580 -6.267 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.465 3.434 -3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 81 180.960 3.086 -4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 81 179.771 5.845 -2.539 1.00 0.00 H new ATOM 0 HD2 PHE A 81 182.776 2.942 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 81 181.046 6.608 -0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 81 184.049 3.701 -1.413 1.00 0.00 H new ATOM 0 HZ PHE A 81 183.187 5.535 -0.017 1.00 0.00 H new ATOM 1238 N TRP A 82 177.867 5.062 -4.428 1.00 0.00 N ATOM 1239 CA TRP A 82 176.645 5.613 -3.861 1.00 0.00 C ATOM 1240 C TRP A 82 175.931 4.509 -3.088 1.00 0.00 C ATOM 1241 O TRP A 82 175.722 3.416 -3.616 1.00 0.00 O ATOM 1242 CB TRP A 82 175.738 6.200 -4.952 1.00 0.00 C ATOM 1243 CG TRP A 82 175.062 5.174 -5.813 1.00 0.00 C ATOM 1244 CD1 TRP A 82 175.609 4.494 -6.862 1.00 0.00 C ATOM 1245 CD2 TRP A 82 173.705 4.724 -5.709 1.00 0.00 C ATOM 1246 NE1 TRP A 82 174.679 3.649 -7.416 1.00 0.00 N ATOM 1247 CE2 TRP A 82 173.502 3.771 -6.725 1.00 0.00 C ATOM 1248 CE3 TRP A 82 172.643 5.034 -4.856 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.282 3.126 -6.911 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.432 4.393 -5.039 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.259 3.449 -6.060 1.00 0.00 C ATOM 0 H TRP A 82 177.839 4.049 -4.545 1.00 0.00 H new ATOM 0 HA TRP A 82 176.894 6.432 -3.186 1.00 0.00 H new ATOM 0 HB2 TRP A 82 174.976 6.820 -4.479 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.333 6.856 -5.588 1.00 0.00 H new ATOM 0 HD1 TRP A 82 176.627 4.604 -7.207 1.00 0.00 H new ATOM 0 HE1 TRP A 82 174.838 3.031 -8.212 1.00 0.00 H new ATOM 0 HE3 TRP A 82 172.766 5.762 -4.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.148 2.398 -7.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 170.605 4.624 -4.384 1.00 0.00 H new ATOM 0 HH2 TRP A 82 170.300 2.967 -6.178 1.00 0.00 H new ATOM 1262 N THR A 83 175.578 4.778 -1.837 1.00 0.00 N ATOM 1263 CA THR A 83 174.914 3.768 -1.014 1.00 0.00 C ATOM 1264 C THR A 83 173.448 4.099 -0.831 1.00 0.00 C ATOM 1265 O THR A 83 173.073 5.256 -0.885 1.00 0.00 O ATOM 1266 CB THR A 83 175.593 3.656 0.350 1.00 0.00 C ATOM 1267 OG1 THR A 83 175.903 4.938 0.863 1.00 0.00 O ATOM 1268 CG2 THR A 83 176.876 2.853 0.316 1.00 0.00 C ATOM 0 H THR A 83 175.736 5.672 -1.373 1.00 0.00 H new ATOM 0 HA THR A 83 174.994 2.811 -1.530 1.00 0.00 H new ATOM 0 HB THR A 83 174.876 3.139 0.987 1.00 0.00 H new ATOM 0 HG1 THR A 83 175.149 5.269 1.394 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.307 2.813 1.317 1.00 0.00 H new ATOM 0 HG22 THR A 83 176.663 1.841 -0.028 1.00 0.00 H new ATOM 0 HG23 THR A 83 177.584 3.326 -0.365 1.00 0.00 H new ATOM 1276 N TYR A 84 172.624 3.080 -0.621 1.00 0.00 N ATOM 1277 CA TYR A 84 171.194 3.287 -0.440 1.00 0.00 C ATOM 1278 C TYR A 84 170.658 2.449 0.717 1.00 0.00 C ATOM 1279 O TYR A 84 170.695 1.222 0.676 1.00 0.00 O ATOM 1280 CB TYR A 84 170.454 2.934 -1.726 1.00 0.00 C ATOM 1281 CG TYR A 84 168.962 3.171 -1.656 1.00 0.00 C ATOM 1282 CD1 TYR A 84 168.450 4.334 -1.096 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.065 2.232 -2.150 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.087 4.556 -1.030 1.00 0.00 C ATOM 1285 CE2 TYR A 84 166.702 2.446 -2.088 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.218 3.609 -1.528 1.00 0.00 C ATOM 1287 OH TYR A 84 164.860 3.826 -1.464 1.00 0.00 O ATOM 0 H TYR A 84 172.921 2.105 -0.572 1.00 0.00 H new ATOM 0 HA TYR A 84 171.028 4.338 -0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 84 170.868 3.522 -2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 84 170.635 1.886 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 84 169.128 5.078 -0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 84 168.440 1.320 -2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 84 166.705 5.466 -0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 84 166.018 1.706 -2.476 1.00 0.00 H new ATOM 0 HH TYR A 84 164.388 3.063 -1.859 1.00 0.00 H new ATOM 1297 N VAL A 85 170.149 3.121 1.744 1.00 0.00 N ATOM 1298 CA VAL A 85 169.597 2.432 2.906 1.00 0.00 C ATOM 1299 C VAL A 85 168.069 2.467 2.866 1.00 0.00 C ATOM 1300 O VAL A 85 167.480 3.264 2.138 1.00 0.00 O ATOM 1301 CB VAL A 85 170.109 3.046 4.248 1.00 0.00 C ATOM 1302 CG1 VAL A 85 170.945 4.293 4.000 1.00 0.00 C ATOM 1303 CG2 VAL A 85 168.966 3.375 5.204 1.00 0.00 C ATOM 0 H VAL A 85 170.107 4.139 1.796 1.00 0.00 H new ATOM 0 HA VAL A 85 169.939 1.398 2.863 1.00 0.00 H new ATOM 0 HB VAL A 85 170.734 2.286 4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 85 171.287 4.697 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 85 171.807 4.037 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.341 5.040 3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 85 169.371 3.799 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 85 168.296 4.096 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.413 2.465 5.437 1.00 0.00 H new ATOM 1313 N ILE A 86 167.433 1.609 3.662 1.00 0.00 N ATOM 1314 CA ILE A 86 165.974 1.560 3.728 1.00 0.00 C ATOM 1315 C ILE A 86 165.503 1.428 5.163 1.00 0.00 C ATOM 1316 O ILE A 86 165.663 0.379 5.778 1.00 0.00 O ATOM 1317 CB ILE A 86 165.394 0.386 2.924 1.00 0.00 C ATOM 1318 CG1 ILE A 86 165.964 0.381 1.515 1.00 0.00 C ATOM 1319 CG2 ILE A 86 163.875 0.464 2.887 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.582 1.592 0.701 1.00 0.00 C ATOM 0 H ILE A 86 167.905 0.939 4.269 1.00 0.00 H new ATOM 0 HA ILE A 86 165.619 2.495 3.295 1.00 0.00 H new ATOM 0 HB ILE A 86 165.676 -0.545 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 86 167.051 0.321 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 86 165.623 -0.516 0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.481 -0.375 2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.484 0.424 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.570 1.399 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 86 166.025 1.518 -0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.497 1.642 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 86 165.947 2.492 1.195 1.00 0.00 H new ATOM 1332 N LYS A 87 164.917 2.497 5.680 1.00 0.00 N ATOM 1333 CA LYS A 87 164.408 2.512 7.046 1.00 0.00 C ATOM 1334 C LYS A 87 162.887 2.387 7.061 1.00 0.00 C ATOM 1335 O LYS A 87 162.178 3.327 7.419 1.00 0.00 O ATOM 1336 CB LYS A 87 164.835 3.803 7.751 1.00 0.00 C ATOM 1337 CG LYS A 87 164.969 3.656 9.259 1.00 0.00 C ATOM 1338 CD LYS A 87 163.788 4.275 9.990 1.00 0.00 C ATOM 1339 CE LYS A 87 162.804 3.216 10.457 1.00 0.00 C ATOM 1340 NZ LYS A 87 161.762 3.782 11.357 1.00 0.00 N ATOM 0 H LYS A 87 164.781 3.371 5.172 1.00 0.00 H new ATOM 0 HA LYS A 87 164.828 1.658 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 87 165.789 4.133 7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 87 164.107 4.584 7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 87 165.044 2.600 9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 87 165.892 4.131 9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 87 164.147 4.843 10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 87 163.280 4.980 9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 87 162.326 2.758 9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 87 163.343 2.425 10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 161.111 3.027 11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 162.216 4.196 12.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 161.230 4.519 10.852 1.00 0.00 H new ATOM 1354 N ASP A 88 162.393 1.215 6.670 1.00 0.00 N ATOM 1355 CA ASP A 88 160.955 0.961 6.637 1.00 0.00 C ATOM 1356 C ASP A 88 160.261 1.880 5.636 1.00 0.00 C ATOM 1357 O ASP A 88 159.456 2.732 6.012 1.00 0.00 O ATOM 1358 CB ASP A 88 160.352 1.150 8.031 1.00 0.00 C ATOM 1359 CG ASP A 88 158.909 0.690 8.104 1.00 0.00 C ATOM 1360 OD1 ASP A 88 158.033 1.391 7.557 1.00 0.00 O ATOM 1361 OD2 ASP A 88 158.656 -0.376 8.705 1.00 0.00 O ATOM 0 H ASP A 88 162.967 0.426 6.372 1.00 0.00 H new ATOM 0 HA ASP A 88 160.799 -0.070 6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 88 160.945 0.595 8.758 1.00 0.00 H new ATOM 0 HB3 ASP A 88 160.410 2.202 8.309 1.00 0.00 H new ATOM 1366 N GLY A 89 160.577 1.701 4.357 1.00 0.00 N ATOM 1367 CA GLY A 89 159.975 2.521 3.321 1.00 0.00 C ATOM 1368 C GLY A 89 160.465 3.956 3.362 1.00 0.00 C ATOM 1369 O GLY A 89 159.763 4.871 2.936 1.00 0.00 O ATOM 0 H GLY A 89 161.239 1.003 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.199 2.091 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 89 158.891 2.507 3.434 1.00 0.00 H new ATOM 1373 N LEU A 90 161.677 4.148 3.873 1.00 0.00 N ATOM 1374 CA LEU A 90 162.270 5.479 3.975 1.00 0.00 C ATOM 1375 C LEU A 90 163.767 5.403 3.734 1.00 0.00 C ATOM 1376 O LEU A 90 164.567 5.472 4.667 1.00 0.00 O ATOM 1377 CB LEU A 90 161.985 6.082 5.346 1.00 0.00 C ATOM 1378 CG LEU A 90 160.589 5.788 5.877 1.00 0.00 C ATOM 1379 CD1 LEU A 90 160.489 6.132 7.355 1.00 0.00 C ATOM 1380 CD2 LEU A 90 159.553 6.553 5.071 1.00 0.00 C ATOM 0 H LEU A 90 162.270 3.396 4.224 1.00 0.00 H new ATOM 0 HA LEU A 90 161.824 6.120 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 90 162.719 5.704 6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 90 162.121 7.162 5.291 1.00 0.00 H new ATOM 0 HG LEU A 90 160.393 4.721 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 90 159.483 5.914 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 90 161.210 5.538 7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 90 160.702 7.191 7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 90 158.558 6.336 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 90 159.748 7.623 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 90 159.609 6.250 4.025 1.00 0.00 H new ATOM 1392 N GLY A 91 164.132 5.229 2.476 1.00 0.00 N ATOM 1393 CA GLY A 91 165.518 5.108 2.119 1.00 0.00 C ATOM 1394 C GLY A 91 166.201 6.425 1.807 1.00 0.00 C ATOM 1395 O GLY A 91 165.553 7.434 1.528 1.00 0.00 O ATOM 0 H GLY A 91 163.482 5.170 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 91 166.050 4.621 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.601 4.455 1.251 1.00 0.00 H new ATOM 1399 N TYR A 92 167.526 6.384 1.843 1.00 0.00 N ATOM 1400 CA TYR A 92 168.369 7.538 1.554 1.00 0.00 C ATOM 1401 C TYR A 92 169.698 7.035 1.012 1.00 0.00 C ATOM 1402 O TYR A 92 170.141 5.950 1.389 1.00 0.00 O ATOM 1403 CB TYR A 92 168.590 8.377 2.816 1.00 0.00 C ATOM 1404 CG TYR A 92 167.318 8.966 3.381 1.00 0.00 C ATOM 1405 CD1 TYR A 92 166.498 8.224 4.220 1.00 0.00 C ATOM 1406 CD2 TYR A 92 166.936 10.267 3.074 1.00 0.00 C ATOM 1407 CE1 TYR A 92 165.334 8.759 4.739 1.00 0.00 C ATOM 1408 CE2 TYR A 92 165.774 10.810 3.589 1.00 0.00 C ATOM 1409 CZ TYR A 92 164.977 10.052 4.421 1.00 0.00 C ATOM 1410 OH TYR A 92 163.820 10.588 4.935 1.00 0.00 O ATOM 0 H TYR A 92 168.052 5.541 2.076 1.00 0.00 H new ATOM 0 HA TYR A 92 167.881 8.175 0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 92 169.062 7.756 3.577 1.00 0.00 H new ATOM 0 HB3 TYR A 92 169.285 9.185 2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 92 166.774 7.211 4.472 1.00 0.00 H new ATOM 0 HD2 TYR A 92 167.557 10.863 2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 92 164.708 8.167 5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 92 165.492 11.823 3.341 1.00 0.00 H new ATOM 0 HH TYR A 92 163.715 11.508 4.615 1.00 0.00 H new ATOM 1420 N ARG A 93 170.336 7.785 0.114 1.00 0.00 N ATOM 1421 CA ARG A 93 171.591 7.325 -0.448 1.00 0.00 C ATOM 1422 C ARG A 93 172.715 8.333 -0.305 1.00 0.00 C ATOM 1423 O ARG A 93 172.527 9.535 -0.493 1.00 0.00 O ATOM 1424 CB ARG A 93 171.422 6.977 -1.926 1.00 0.00 C ATOM 1425 CG ARG A 93 170.979 8.151 -2.783 1.00 0.00 C ATOM 1426 CD ARG A 93 170.061 7.702 -3.909 1.00 0.00 C ATOM 1427 NE ARG A 93 168.652 7.767 -3.528 1.00 0.00 N ATOM 1428 CZ ARG A 93 167.934 8.888 -3.531 1.00 0.00 C ATOM 1429 NH1 ARG A 93 168.488 10.038 -3.892 1.00 0.00 N ATOM 1430 NH2 ARG A 93 166.658 8.858 -3.171 1.00 0.00 N ATOM 0 H ARG A 93 170.010 8.689 -0.229 1.00 0.00 H new ATOM 0 HA ARG A 93 171.867 6.438 0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.367 6.594 -2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.691 6.174 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 93 170.463 8.883 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 93 171.854 8.648 -3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 93 170.229 8.329 -4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 93 170.312 6.681 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 93 168.191 6.903 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 93 169.469 10.067 -4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 93 167.933 10.894 -3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 93 166.227 7.976 -2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 93 166.107 9.717 -3.173 1.00 0.00 H new ATOM 1444 N GLN A 94 173.897 7.808 -0.022 1.00 0.00 N ATOM 1445 CA GLN A 94 175.087 8.620 0.095 1.00 0.00 C ATOM 1446 C GLN A 94 175.859 8.523 -1.210 1.00 0.00 C ATOM 1447 O GLN A 94 176.850 7.796 -1.309 1.00 0.00 O ATOM 1448 CB GLN A 94 175.958 8.160 1.266 1.00 0.00 C ATOM 1449 CG GLN A 94 177.261 8.933 1.392 1.00 0.00 C ATOM 1450 CD GLN A 94 178.447 8.034 1.679 1.00 0.00 C ATOM 1451 OE1 GLN A 94 178.353 7.096 2.470 1.00 0.00 O ATOM 1452 NE2 GLN A 94 179.574 8.317 1.034 1.00 0.00 N ATOM 0 H GLN A 94 174.053 6.812 0.131 1.00 0.00 H new ATOM 0 HA GLN A 94 174.803 9.654 0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.392 8.263 2.192 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.183 7.100 1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.443 9.484 0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 94 177.167 9.669 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 94 179.607 9.105 0.387 1.00 0.00 H new ATOM 0 HE22 GLN A 94 180.406 7.747 1.186 1.00 0.00 H new ATOM 1461 N ASP A 95 175.369 9.231 -2.219 1.00 0.00 N ATOM 1462 CA ASP A 95 175.985 9.216 -3.538 1.00 0.00 C ATOM 1463 C ASP A 95 177.146 10.196 -3.615 1.00 0.00 C ATOM 1464 O ASP A 95 177.461 10.885 -2.645 1.00 0.00 O ATOM 1465 CB ASP A 95 174.952 9.555 -4.609 1.00 0.00 C ATOM 1466 CG ASP A 95 174.311 10.911 -4.388 1.00 0.00 C ATOM 1467 OD1 ASP A 95 174.844 11.913 -4.909 1.00 0.00 O ATOM 1468 OD2 ASP A 95 173.276 10.971 -3.692 1.00 0.00 O ATOM 0 H ASP A 95 174.543 9.825 -2.148 1.00 0.00 H new ATOM 0 HA ASP A 95 176.371 8.212 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.430 9.538 -5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.178 8.788 -4.618 1.00 0.00 H new ATOM 1473 N ASN A 96 177.777 10.249 -4.781 1.00 0.00 N ATOM 1474 CA ASN A 96 178.906 11.140 -5.002 1.00 0.00 C ATOM 1475 C ASN A 96 180.041 10.844 -4.022 1.00 0.00 C ATOM 1476 O ASN A 96 180.929 11.672 -3.818 1.00 0.00 O ATOM 1477 CB ASN A 96 178.453 12.595 -4.865 1.00 0.00 C ATOM 1478 CG ASN A 96 179.572 13.586 -5.123 1.00 0.00 C ATOM 1479 OD1 ASN A 96 179.926 13.855 -6.270 1.00 0.00 O ATOM 1480 ND2 ASN A 96 180.135 14.133 -4.052 1.00 0.00 N ATOM 0 H ASN A 96 177.524 9.683 -5.591 1.00 0.00 H new ATOM 0 HA ASN A 96 179.283 10.974 -6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.638 12.784 -5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 96 178.057 12.754 -3.862 1.00 0.00 H new ATOM 0 HD21 ASN A 96 180.893 14.806 -4.162 1.00 0.00 H new ATOM 0 HD22 ASN A 96 179.809 13.880 -3.119 1.00 0.00 H new ATOM 1487 N GLY A 97 180.015 9.657 -3.419 1.00 0.00 N ATOM 1488 CA GLY A 97 181.055 9.286 -2.479 1.00 0.00 C ATOM 1489 C GLY A 97 182.298 8.779 -3.177 1.00 0.00 C ATOM 1490 O GLY A 97 182.258 8.427 -4.356 1.00 0.00 O ATOM 0 H GLY A 97 179.295 8.950 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.311 10.148 -1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 97 180.677 8.516 -1.807 1.00 0.00 H new ATOM 1494 N GLU A 98 183.403 8.743 -2.449 1.00 0.00 N ATOM 1495 CA GLU A 98 184.664 8.276 -3.010 1.00 0.00 C ATOM 1496 C GLU A 98 185.589 7.734 -1.928 1.00 0.00 C ATOM 1497 O GLU A 98 185.456 8.070 -0.750 1.00 0.00 O ATOM 1498 CB GLU A 98 185.359 9.410 -3.765 1.00 0.00 C ATOM 1499 CG GLU A 98 185.755 10.580 -2.877 1.00 0.00 C ATOM 1500 CD GLU A 98 186.343 11.735 -3.662 1.00 0.00 C ATOM 1501 OE1 GLU A 98 185.613 12.326 -4.485 1.00 0.00 O ATOM 1502 OE2 GLU A 98 187.534 12.050 -3.451 1.00 0.00 O ATOM 0 H GLU A 98 183.454 9.030 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 98 184.438 7.464 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 98 186.251 9.017 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 98 184.697 9.770 -4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 98 184.880 10.927 -2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 98 186.481 10.241 -2.138 1.00 0.00 H new ATOM 1509 N TRP A 99 186.536 6.899 -2.341 1.00 0.00 N ATOM 1510 CA TRP A 99 187.501 6.311 -1.424 1.00 0.00 C ATOM 1511 C TRP A 99 188.839 6.100 -2.134 1.00 0.00 C ATOM 1512 O TRP A 99 188.920 6.197 -3.359 1.00 0.00 O ATOM 1513 CB TRP A 99 186.967 4.993 -0.859 1.00 0.00 C ATOM 1514 CG TRP A 99 187.940 4.289 0.032 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.368 4.687 1.266 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.609 3.061 -0.251 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.273 3.780 1.764 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.435 2.771 0.849 1.00 0.00 C ATOM 1519 CE3 TRP A 99 188.589 2.180 -1.331 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 190.233 1.633 0.895 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 189.379 1.051 -1.284 1.00 0.00 C ATOM 1522 CH2 TRP A 99 190.192 0.787 -0.181 1.00 0.00 C ATOM 0 H TRP A 99 186.655 6.613 -3.313 1.00 0.00 H new ATOM 0 HA TRP A 99 187.659 6.995 -0.590 1.00 0.00 H new ATOM 0 HB2 TRP A 99 186.052 5.190 -0.301 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.700 4.334 -1.685 1.00 0.00 H new ATOM 0 HD1 TRP A 99 188.043 5.582 1.776 1.00 0.00 H new ATOM 0 HE1 TRP A 99 189.746 3.846 2.665 1.00 0.00 H new ATOM 0 HE3 TRP A 99 187.965 2.378 -2.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 190.862 1.424 1.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 189.368 0.360 -2.114 1.00 0.00 H new ATOM 0 HH2 TRP A 99 190.802 -0.104 -0.176 1.00 0.00 H new ATOM 1533 N THR A 100 189.893 5.849 -1.364 1.00 0.00 N ATOM 1534 CA THR A 100 191.228 5.669 -1.928 1.00 0.00 C ATOM 1535 C THR A 100 191.701 4.218 -1.881 1.00 0.00 C ATOM 1536 O THR A 100 191.253 3.428 -1.052 1.00 0.00 O ATOM 1537 CB THR A 100 192.223 6.534 -1.153 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.430 6.685 -1.878 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.574 5.967 0.217 1.00 0.00 C ATOM 0 H THR A 100 189.850 5.765 -0.348 1.00 0.00 H new ATOM 0 HA THR A 100 191.176 5.966 -2.976 1.00 0.00 H new ATOM 0 HB THR A 100 191.724 7.493 -1.015 1.00 0.00 H new ATOM 0 HG1 THR A 100 194.052 7.243 -1.366 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.284 6.629 0.714 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.670 5.887 0.820 1.00 0.00 H new ATOM 0 HG23 THR A 100 193.020 4.980 0.099 1.00 0.00 H new ATOM 1547 N VAL A 101 192.648 3.900 -2.759 1.00 0.00 N ATOM 1548 CA VAL A 101 193.239 2.566 -2.808 1.00 0.00 C ATOM 1549 C VAL A 101 194.747 2.634 -2.551 1.00 0.00 C ATOM 1550 O VAL A 101 195.419 1.604 -2.477 1.00 0.00 O ATOM 1551 CB VAL A 101 193.002 1.872 -4.161 1.00 0.00 C ATOM 1552 CG1 VAL A 101 193.273 0.380 -4.043 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.584 2.124 -4.656 1.00 0.00 C ATOM 0 H VAL A 101 193.024 4.551 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 101 192.749 1.983 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 101 193.694 2.293 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 101 193.101 -0.098 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.307 0.221 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 101 192.605 -0.053 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.439 1.624 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 101 190.871 1.733 -3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.426 3.196 -4.778 1.00 0.00 H new ATOM 1563 N THR A 102 195.272 3.854 -2.419 1.00 0.00 N ATOM 1564 CA THR A 102 196.698 4.060 -2.176 1.00 0.00 C ATOM 1565 C THR A 102 197.139 3.436 -0.854 1.00 0.00 C ATOM 1566 O THR A 102 198.333 3.252 -0.616 1.00 0.00 O ATOM 1567 CB THR A 102 197.016 5.554 -2.176 1.00 0.00 C ATOM 1568 OG1 THR A 102 196.515 6.173 -3.348 1.00 0.00 O ATOM 1569 CG2 THR A 102 198.499 5.854 -2.100 1.00 0.00 C ATOM 0 H THR A 102 194.728 4.715 -2.477 1.00 0.00 H new ATOM 0 HA THR A 102 197.248 3.568 -2.979 1.00 0.00 H new ATOM 0 HB THR A 102 196.536 5.949 -1.281 1.00 0.00 H new ATOM 0 HG1 THR A 102 196.727 7.130 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 102 198.653 6.933 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 102 198.909 5.433 -1.182 1.00 0.00 H new ATOM 0 HG23 THR A 102 199.004 5.412 -2.959 1.00 0.00 H new ATOM 1577 N GLU A 103 196.178 3.114 0.005 1.00 0.00 N ATOM 1578 CA GLU A 103 196.485 2.515 1.297 1.00 0.00 C ATOM 1579 C GLU A 103 196.068 1.049 1.328 1.00 0.00 C ATOM 1580 O GLU A 103 195.225 0.617 0.541 1.00 0.00 O ATOM 1581 CB GLU A 103 195.786 3.286 2.420 1.00 0.00 C ATOM 1582 CG GLU A 103 196.721 4.184 3.214 1.00 0.00 C ATOM 1583 CD GLU A 103 196.633 5.638 2.790 1.00 0.00 C ATOM 1584 OE1 GLU A 103 197.035 5.949 1.649 1.00 0.00 O ATOM 1585 OE2 GLU A 103 196.161 6.463 3.599 1.00 0.00 O ATOM 0 H GLU A 103 195.183 3.257 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 103 197.563 2.569 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 103 194.989 3.894 1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 103 195.315 2.575 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 103 196.482 4.104 4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 103 197.746 3.835 3.090 1.00 0.00 H new ATOM 1592 N PHE A 104 196.656 0.291 2.244 1.00 0.00 N ATOM 1593 CA PHE A 104 196.341 -1.123 2.380 1.00 0.00 C ATOM 1594 C PHE A 104 196.231 -1.493 3.854 1.00 0.00 C ATOM 1595 O PHE A 104 197.110 -1.164 4.650 1.00 0.00 O ATOM 1596 CB PHE A 104 197.407 -1.977 1.691 1.00 0.00 C ATOM 1597 CG PHE A 104 197.192 -2.124 0.209 1.00 0.00 C ATOM 1598 CD1 PHE A 104 196.040 -2.714 -0.283 1.00 0.00 C ATOM 1599 CD2 PHE A 104 198.146 -1.671 -0.690 1.00 0.00 C ATOM 1600 CE1 PHE A 104 195.841 -2.850 -1.646 1.00 0.00 C ATOM 1601 CE2 PHE A 104 197.952 -1.803 -2.053 1.00 0.00 C ATOM 1602 CZ PHE A 104 196.797 -2.394 -2.532 1.00 0.00 C ATOM 0 H PHE A 104 197.354 0.633 2.904 1.00 0.00 H new ATOM 0 HA PHE A 104 195.383 -1.317 1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 104 198.387 -1.532 1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 104 197.420 -2.966 2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 104 195.288 -3.072 0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 104 199.051 -1.210 -0.322 1.00 0.00 H new ATOM 0 HE1 PHE A 104 194.938 -3.313 -2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 104 198.702 -1.445 -2.743 1.00 0.00 H new ATOM 0 HZ PHE A 104 196.643 -2.499 -3.596 1.00 0.00 H new ATOM 1612 N VAL A 105 195.143 -2.160 4.216 1.00 0.00 N ATOM 1613 CA VAL A 105 194.924 -2.547 5.601 1.00 0.00 C ATOM 1614 C VAL A 105 195.316 -3.996 5.856 1.00 0.00 C ATOM 1615 O VAL A 105 195.766 -4.705 4.955 1.00 0.00 O ATOM 1616 CB VAL A 105 193.457 -2.332 6.029 1.00 0.00 C ATOM 1617 CG1 VAL A 105 193.051 -0.880 5.826 1.00 0.00 C ATOM 1618 CG2 VAL A 105 192.523 -3.264 5.269 1.00 0.00 C ATOM 0 H VAL A 105 194.403 -2.442 3.573 1.00 0.00 H new ATOM 0 HA VAL A 105 195.565 -1.901 6.201 1.00 0.00 H new ATOM 0 HB VAL A 105 193.375 -2.569 7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 105 192.014 -0.746 6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 105 193.693 -0.235 6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 105 193.155 -0.617 4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 105 191.496 -3.091 5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 105 192.606 -3.070 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.797 -4.299 5.472 1.00 0.00 H new