USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 622 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 6 TYR OH : rot 16:sc= 0.566 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.126 K(o=-0.13,f=-3.1!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 15 SER OG : rot -100:sc= -4.21! USER MOD Single : A 19 GLN : amide:sc= -3.88 K(o=-3.9,f=-8.5!) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.215 (180deg=-0.406) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.47 USER MOD Single : A 37 LYS NZ :NH3+ -152:sc= -0.207 (180deg=-1.21!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 139:sc= -0.921 (180deg=-3.73!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc=-0.00508 X(o=-0.0051,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 146:sc= -0.0134 (180deg=-1.6) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -4.000 11.659 5.076 1.00 0.00 N ATOM 19 CA ARG A 2 -5.065 10.771 5.627 1.00 0.00 C ATOM 20 C ARG A 2 -4.544 9.334 5.694 1.00 0.00 C ATOM 21 O ARG A 2 -3.680 8.942 4.932 1.00 0.00 O ATOM 22 CB ARG A 2 -6.298 10.827 4.722 1.00 0.00 C ATOM 23 CG ARG A 2 -7.215 11.965 5.175 1.00 0.00 C ATOM 24 CD ARG A 2 -6.745 13.280 4.552 1.00 0.00 C ATOM 25 NE ARG A 2 -7.496 14.419 5.168 1.00 0.00 N ATOM 26 CZ ARG A 2 -8.748 14.672 4.842 1.00 0.00 C ATOM 27 NH1 ARG A 2 -9.396 13.937 3.966 1.00 0.00 N ATOM 28 NH2 ARG A 2 -9.362 15.675 5.408 1.00 0.00 N ATOM 0 HA ARG A 2 -5.336 11.107 6.628 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.995 10.981 3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.833 9.878 4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.243 11.757 4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.206 12.042 6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.674 13.408 4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.908 13.263 3.474 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.029 15.012 5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.930 13.147 3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.365 14.156 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.873 16.251 6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.331 15.882 5.165 1.00 0.00 H new ATOM 42 N LEU A 3 -5.063 8.551 6.605 1.00 0.00 N ATOM 43 CA LEU A 3 -4.605 7.136 6.737 1.00 0.00 C ATOM 44 C LEU A 3 -5.560 6.215 5.973 1.00 0.00 C ATOM 45 O LEU A 3 -6.458 5.627 6.547 1.00 0.00 O ATOM 46 CB LEU A 3 -4.587 6.738 8.215 1.00 0.00 C ATOM 47 CG LEU A 3 -3.782 7.762 9.018 1.00 0.00 C ATOM 48 CD1 LEU A 3 -4.086 7.598 10.507 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.288 7.537 8.776 1.00 0.00 C ATOM 0 H LEU A 3 -5.787 8.833 7.266 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.601 7.042 6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.606 6.681 8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.148 5.747 8.329 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.056 8.768 8.701 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.512 8.328 11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.150 7.757 10.681 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.813 6.592 10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.713 8.266 9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.016 6.530 9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.070 7.654 7.715 1.00 0.00 H new ATOM 61 N PHE A 4 -5.369 6.088 4.683 1.00 0.00 N ATOM 62 CA PHE A 4 -6.260 5.206 3.872 1.00 0.00 C ATOM 63 C PHE A 4 -5.714 3.777 3.889 1.00 0.00 C ATOM 64 O PHE A 4 -4.518 3.560 3.826 1.00 0.00 O ATOM 65 CB PHE A 4 -6.305 5.717 2.430 1.00 0.00 C ATOM 66 CG PHE A 4 -7.227 6.910 2.348 1.00 0.00 C ATOM 67 CD1 PHE A 4 -8.615 6.725 2.360 1.00 0.00 C ATOM 68 CD2 PHE A 4 -6.694 8.202 2.260 1.00 0.00 C ATOM 69 CE1 PHE A 4 -9.470 7.832 2.285 1.00 0.00 C ATOM 70 CE2 PHE A 4 -7.549 9.308 2.184 1.00 0.00 C ATOM 71 CZ PHE A 4 -8.937 9.122 2.197 1.00 0.00 C ATOM 0 H PHE A 4 -4.633 6.559 4.157 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.265 5.216 4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.304 5.994 2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.654 4.928 1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.026 5.729 2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.624 8.345 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.540 7.689 2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.138 10.304 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.596 9.975 2.139 1.00 0.00 H new ATOM 81 N GLY A 5 -6.584 2.802 3.977 1.00 0.00 N ATOM 82 CA GLY A 5 -6.124 1.382 4.001 1.00 0.00 C ATOM 83 C GLY A 5 -6.887 0.577 2.948 1.00 0.00 C ATOM 84 O GLY A 5 -8.022 0.875 2.628 1.00 0.00 O ATOM 0 H GLY A 5 -7.594 2.930 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.053 1.333 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.287 0.953 4.990 1.00 0.00 H new ATOM 88 N TYR A 6 -6.269 -0.444 2.409 1.00 0.00 N ATOM 89 CA TYR A 6 -6.948 -1.280 1.375 1.00 0.00 C ATOM 90 C TYR A 6 -6.975 -2.738 1.847 1.00 0.00 C ATOM 91 O TYR A 6 -5.951 -3.314 2.167 1.00 0.00 O ATOM 92 CB TYR A 6 -6.181 -1.170 0.049 1.00 0.00 C ATOM 93 CG TYR A 6 -6.859 -2.003 -1.015 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.220 -1.827 -1.288 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.120 -2.956 -1.727 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.841 -2.604 -2.273 1.00 0.00 C ATOM 97 CE2 TYR A 6 -6.741 -3.732 -2.712 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.102 -3.556 -2.984 1.00 0.00 C ATOM 99 OH TYR A 6 -8.717 -4.322 -3.955 1.00 0.00 O ATOM 0 H TYR A 6 -5.320 -0.735 2.642 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.970 -0.931 1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.135 -0.128 -0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.153 -1.507 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.791 -1.092 -0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.070 -3.092 -1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.891 -2.469 -2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.170 -4.466 -3.262 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.575 -3.915 -4.198 1.00 0.00 H new ATOM 109 N ALA A 7 -8.139 -3.332 1.892 1.00 0.00 N ATOM 110 CA ALA A 7 -8.246 -4.750 2.343 1.00 0.00 C ATOM 111 C ALA A 7 -9.135 -5.530 1.366 1.00 0.00 C ATOM 112 O ALA A 7 -10.181 -5.059 0.960 1.00 0.00 O ATOM 113 CB ALA A 7 -8.864 -4.792 3.744 1.00 0.00 C ATOM 0 H ALA A 7 -9.023 -2.894 1.635 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.254 -5.201 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.943 -5.827 4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.232 -4.236 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.857 -4.343 3.717 1.00 0.00 H new ATOM 119 N ARG A 8 -8.731 -6.720 0.992 1.00 0.00 N ATOM 120 CA ARG A 8 -9.553 -7.538 0.046 1.00 0.00 C ATOM 121 C ARG A 8 -9.899 -8.875 0.713 1.00 0.00 C ATOM 122 O ARG A 8 -9.070 -9.758 0.809 1.00 0.00 O ATOM 123 CB ARG A 8 -8.753 -7.793 -1.238 1.00 0.00 C ATOM 124 CG ARG A 8 -9.604 -8.588 -2.239 1.00 0.00 C ATOM 125 CD ARG A 8 -10.091 -7.666 -3.361 1.00 0.00 C ATOM 126 NE ARG A 8 -9.223 -7.845 -4.567 1.00 0.00 N ATOM 127 CZ ARG A 8 -9.240 -8.962 -5.266 1.00 0.00 C ATOM 128 NH1 ARG A 8 -10.018 -9.968 -4.937 1.00 0.00 N ATOM 129 NH2 ARG A 8 -8.466 -9.070 -6.311 1.00 0.00 N ATOM 0 H ARG A 8 -7.865 -7.161 1.302 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.470 -7.005 -0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.448 -6.845 -1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.842 -8.344 -1.005 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.018 -9.406 -2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.457 -9.036 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.128 -7.894 -3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.063 -6.628 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.605 -7.086 -4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.629 -9.896 -4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.012 -10.822 -5.495 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.858 -8.296 -6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.469 -9.929 -6.861 1.00 0.00 H new ATOM 143 N VAL A 9 -11.116 -9.024 1.182 1.00 0.00 N ATOM 144 CA VAL A 9 -11.524 -10.297 1.862 1.00 0.00 C ATOM 145 C VAL A 9 -11.175 -11.516 1.002 1.00 0.00 C ATOM 146 O VAL A 9 -11.064 -11.432 -0.206 1.00 0.00 O ATOM 147 CB VAL A 9 -13.036 -10.287 2.122 1.00 0.00 C ATOM 148 CG1 VAL A 9 -13.387 -9.114 3.039 1.00 0.00 C ATOM 149 CG2 VAL A 9 -13.793 -10.152 0.795 1.00 0.00 C ATOM 0 H VAL A 9 -11.848 -8.316 1.123 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.982 -10.364 2.805 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.325 -11.222 2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.461 -9.106 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.856 -9.220 3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.094 -8.179 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.866 -10.146 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.506 -9.221 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.545 -10.993 0.148 1.00 0.00 H new ATOM 159 N SER A 10 -11.015 -12.647 1.632 1.00 0.00 N ATOM 160 CA SER A 10 -10.687 -13.893 0.887 1.00 0.00 C ATOM 161 C SER A 10 -11.601 -15.017 1.378 1.00 0.00 C ATOM 162 O SER A 10 -12.140 -15.777 0.596 1.00 0.00 O ATOM 163 CB SER A 10 -9.228 -14.270 1.141 1.00 0.00 C ATOM 164 OG SER A 10 -8.798 -15.184 0.140 1.00 0.00 O ATOM 0 H SER A 10 -11.099 -12.761 2.642 1.00 0.00 H new ATOM 0 HA SER A 10 -10.835 -13.737 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.602 -13.378 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.123 -14.719 2.129 1.00 0.00 H new ATOM 0 HG SER A 10 -7.862 -15.427 0.299 1.00 0.00 H new ATOM 170 N THR A 11 -11.785 -15.120 2.673 1.00 0.00 N ATOM 171 CA THR A 11 -12.669 -16.185 3.226 1.00 0.00 C ATOM 172 C THR A 11 -14.108 -15.668 3.298 1.00 0.00 C ATOM 173 O THR A 11 -14.354 -14.480 3.206 1.00 0.00 O ATOM 174 CB THR A 11 -12.193 -16.573 4.630 1.00 0.00 C ATOM 175 OG1 THR A 11 -13.123 -17.478 5.209 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.084 -15.323 5.507 1.00 0.00 C ATOM 0 H THR A 11 -11.358 -14.509 3.369 1.00 0.00 H new ATOM 0 HA THR A 11 -12.629 -17.060 2.577 1.00 0.00 H new ATOM 0 HB THR A 11 -11.214 -17.047 4.560 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.820 -17.729 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.745 -15.606 6.504 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.369 -14.629 5.064 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.060 -14.842 5.578 1.00 0.00 H new ATOM 184 N SER A 12 -15.057 -16.556 3.459 1.00 0.00 N ATOM 185 CA SER A 12 -16.486 -16.126 3.535 1.00 0.00 C ATOM 186 C SER A 12 -16.993 -16.282 4.970 1.00 0.00 C ATOM 187 O SER A 12 -17.499 -17.322 5.347 1.00 0.00 O ATOM 188 CB SER A 12 -17.328 -16.996 2.600 1.00 0.00 C ATOM 189 OG SER A 12 -17.391 -16.383 1.318 1.00 0.00 O ATOM 0 H SER A 12 -14.903 -17.561 3.541 1.00 0.00 H new ATOM 0 HA SER A 12 -16.567 -15.081 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.891 -17.991 2.519 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.332 -17.121 3.006 1.00 0.00 H new ATOM 0 HG SER A 12 -17.928 -16.939 0.716 1.00 0.00 H new ATOM 195 N GLN A 13 -16.862 -15.253 5.767 1.00 0.00 N ATOM 196 CA GLN A 13 -17.336 -15.328 7.180 1.00 0.00 C ATOM 197 C GLN A 13 -17.141 -13.968 7.851 1.00 0.00 C ATOM 198 O GLN A 13 -18.075 -13.381 8.367 1.00 0.00 O ATOM 199 CB GLN A 13 -16.534 -16.388 7.936 1.00 0.00 C ATOM 200 CG GLN A 13 -17.274 -16.767 9.221 1.00 0.00 C ATOM 201 CD GLN A 13 -16.292 -17.397 10.210 1.00 0.00 C ATOM 202 OE1 GLN A 13 -15.571 -16.700 10.898 1.00 0.00 O ATOM 203 NE2 GLN A 13 -16.231 -18.697 10.311 1.00 0.00 N ATOM 0 H GLN A 13 -16.446 -14.361 5.498 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.392 -15.597 7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.395 -17.269 7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -15.541 -16.007 8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.734 -15.883 9.662 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -18.079 -17.467 8.996 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.835 -19.282 9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.579 -19.128 10.967 1.00 0.00 H new ATOM 212 N GLN A 14 -15.935 -13.465 7.845 1.00 0.00 N ATOM 213 CA GLN A 14 -15.663 -12.141 8.479 1.00 0.00 C ATOM 214 C GLN A 14 -14.277 -11.650 8.062 1.00 0.00 C ATOM 215 O GLN A 14 -13.596 -10.976 8.812 1.00 0.00 O ATOM 216 CB GLN A 14 -15.717 -12.286 10.002 1.00 0.00 C ATOM 217 CG GLN A 14 -14.771 -13.405 10.444 1.00 0.00 C ATOM 218 CD GLN A 14 -14.522 -13.300 11.949 1.00 0.00 C ATOM 219 OE1 GLN A 14 -13.405 -13.085 12.378 1.00 0.00 O ATOM 220 NE2 GLN A 14 -15.521 -13.441 12.776 1.00 0.00 N ATOM 0 H GLN A 14 -15.122 -13.917 7.426 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.415 -11.421 8.155 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.433 -11.347 10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.735 -12.510 10.320 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.203 -14.376 10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.828 -13.333 9.903 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.459 -13.621 12.417 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.365 -13.371 13.781 1.00 0.00 H new ATOM 229 N SER A 15 -13.851 -11.985 6.866 1.00 0.00 N ATOM 230 CA SER A 15 -12.505 -11.545 6.387 1.00 0.00 C ATOM 231 C SER A 15 -12.411 -10.018 6.426 1.00 0.00 C ATOM 232 O SER A 15 -11.446 -9.464 6.915 1.00 0.00 O ATOM 233 CB SER A 15 -12.287 -12.044 4.954 1.00 0.00 C ATOM 234 OG SER A 15 -11.105 -12.830 4.905 1.00 0.00 O ATOM 0 H SER A 15 -14.382 -12.547 6.200 1.00 0.00 H new ATOM 0 HA SER A 15 -11.736 -11.962 7.037 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.144 -12.634 4.628 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.204 -11.199 4.271 1.00 0.00 H new ATOM 0 HG SER A 15 -10.368 -12.291 4.550 1.00 0.00 H new ATOM 240 N LEU A 16 -13.410 -9.336 5.922 1.00 0.00 N ATOM 241 CA LEU A 16 -13.397 -7.836 5.926 1.00 0.00 C ATOM 242 C LEU A 16 -13.102 -7.327 7.347 1.00 0.00 C ATOM 243 O LEU A 16 -12.322 -6.414 7.537 1.00 0.00 O ATOM 244 CB LEU A 16 -14.771 -7.330 5.446 1.00 0.00 C ATOM 245 CG LEU A 16 -14.891 -5.807 5.641 1.00 0.00 C ATOM 246 CD1 LEU A 16 -15.484 -5.167 4.385 1.00 0.00 C ATOM 247 CD2 LEU A 16 -15.804 -5.514 6.835 1.00 0.00 C ATOM 0 H LEU A 16 -14.241 -9.755 5.505 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.621 -7.463 5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.908 -7.578 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.563 -7.836 5.998 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.900 -5.392 5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.566 -4.090 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.836 -5.370 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.473 -5.584 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.889 -4.436 6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -16.792 -5.935 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.382 -5.962 7.734 1.00 0.00 H new ATOM 259 N ASP A 17 -13.716 -7.922 8.333 1.00 0.00 N ATOM 260 CA ASP A 17 -13.475 -7.488 9.738 1.00 0.00 C ATOM 261 C ASP A 17 -12.022 -7.785 10.112 1.00 0.00 C ATOM 262 O ASP A 17 -11.343 -6.968 10.703 1.00 0.00 O ATOM 263 CB ASP A 17 -14.415 -8.257 10.669 1.00 0.00 C ATOM 264 CG ASP A 17 -14.916 -7.330 11.776 1.00 0.00 C ATOM 265 OD1 ASP A 17 -15.252 -6.198 11.469 1.00 0.00 O ATOM 266 OD2 ASP A 17 -14.958 -7.766 12.915 1.00 0.00 O ATOM 0 H ASP A 17 -14.376 -8.692 8.225 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.663 -6.419 9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.259 -8.653 10.104 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.894 -9.110 11.104 1.00 0.00 H new ATOM 271 N ILE A 18 -11.547 -8.953 9.766 1.00 0.00 N ATOM 272 CA ILE A 18 -10.141 -9.327 10.090 1.00 0.00 C ATOM 273 C ILE A 18 -9.175 -8.398 9.347 1.00 0.00 C ATOM 274 O ILE A 18 -8.122 -8.057 9.852 1.00 0.00 O ATOM 275 CB ILE A 18 -9.891 -10.779 9.665 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.921 -11.694 10.338 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.483 -11.206 10.090 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.245 -12.871 9.413 1.00 0.00 C ATOM 0 H ILE A 18 -12.078 -9.668 9.269 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.977 -9.229 11.163 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.983 -10.857 8.582 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.531 -12.061 11.287 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.829 -11.134 10.562 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.309 -12.238 9.786 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.747 -10.558 9.613 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.390 -11.126 11.173 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.977 -13.520 9.893 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.653 -12.495 8.475 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.335 -13.437 9.212 1.00 0.00 H new ATOM 290 N GLN A 19 -9.525 -7.986 8.152 1.00 0.00 N ATOM 291 CA GLN A 19 -8.621 -7.078 7.376 1.00 0.00 C ATOM 292 C GLN A 19 -8.680 -5.666 7.955 1.00 0.00 C ATOM 293 O GLN A 19 -7.660 -5.064 8.216 1.00 0.00 O ATOM 294 CB GLN A 19 -9.012 -7.040 5.888 1.00 0.00 C ATOM 295 CG GLN A 19 -9.432 -8.435 5.395 1.00 0.00 C ATOM 296 CD GLN A 19 -8.565 -8.848 4.204 1.00 0.00 C ATOM 297 OE1 GLN A 19 -9.054 -9.418 3.255 1.00 0.00 O ATOM 298 NE2 GLN A 19 -7.285 -8.591 4.216 1.00 0.00 N ATOM 0 H GLN A 19 -10.394 -8.238 7.682 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.606 -7.467 7.455 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.831 -6.336 5.741 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.171 -6.679 5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.329 -9.162 6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.483 -8.427 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.869 -8.111 5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.701 -8.870 3.428 1.00 0.00 H new ATOM 307 N VAL A 20 -9.864 -5.128 8.168 1.00 0.00 N ATOM 308 CA VAL A 20 -9.971 -3.746 8.743 1.00 0.00 C ATOM 309 C VAL A 20 -9.151 -3.680 10.043 1.00 0.00 C ATOM 310 O VAL A 20 -8.402 -2.751 10.262 1.00 0.00 O ATOM 311 CB VAL A 20 -11.450 -3.411 9.014 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.573 -2.095 9.793 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.185 -3.261 7.679 1.00 0.00 C ATOM 0 H VAL A 20 -10.754 -5.585 7.969 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.577 -3.015 8.037 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.887 -4.217 9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.625 -1.876 9.974 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.052 -2.186 10.746 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.129 -1.286 9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.232 -3.024 7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.728 -2.458 7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.118 -4.194 7.120 1.00 0.00 H new ATOM 323 N ARG A 21 -9.275 -4.674 10.888 1.00 0.00 N ATOM 324 CA ARG A 21 -8.490 -4.688 12.160 1.00 0.00 C ATOM 325 C ARG A 21 -6.997 -4.645 11.823 1.00 0.00 C ATOM 326 O ARG A 21 -6.230 -3.933 12.441 1.00 0.00 O ATOM 327 CB ARG A 21 -8.796 -5.970 12.943 1.00 0.00 C ATOM 328 CG ARG A 21 -10.314 -6.143 13.101 1.00 0.00 C ATOM 329 CD ARG A 21 -10.722 -5.845 14.547 1.00 0.00 C ATOM 330 NE ARG A 21 -10.607 -4.375 14.804 1.00 0.00 N ATOM 331 CZ ARG A 21 -10.584 -3.890 16.030 1.00 0.00 C ATOM 332 NH1 ARG A 21 -10.668 -4.674 17.081 1.00 0.00 N ATOM 333 NH2 ARG A 21 -10.478 -2.602 16.204 1.00 0.00 N ATOM 0 H ARG A 21 -9.888 -5.478 10.751 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.761 -3.824 12.766 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.376 -6.831 12.424 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.323 -5.928 13.924 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.839 -5.473 12.420 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.603 -7.159 12.834 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.745 -6.177 14.723 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.084 -6.397 15.237 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.545 -3.734 14.013 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.753 -5.683 16.959 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.648 -4.274 18.019 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.414 -1.982 15.397 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.459 -2.215 17.147 1.00 0.00 H new ATOM 347 N ALA A 22 -6.592 -5.396 10.831 1.00 0.00 N ATOM 348 CA ALA A 22 -5.159 -5.403 10.422 1.00 0.00 C ATOM 349 C ALA A 22 -4.806 -4.033 9.846 1.00 0.00 C ATOM 350 O ALA A 22 -3.748 -3.490 10.102 1.00 0.00 O ATOM 351 CB ALA A 22 -4.944 -6.473 9.352 1.00 0.00 C ATOM 0 H ALA A 22 -7.198 -6.008 10.285 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.526 -5.619 11.283 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.897 -6.481 9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.213 -7.450 9.755 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.569 -6.253 8.487 1.00 0.00 H new ATOM 357 N LEU A 23 -5.692 -3.478 9.063 1.00 0.00 N ATOM 358 CA LEU A 23 -5.439 -2.145 8.451 1.00 0.00 C ATOM 359 C LEU A 23 -5.377 -1.087 9.557 1.00 0.00 C ATOM 360 O LEU A 23 -4.507 -0.233 9.562 1.00 0.00 O ATOM 361 CB LEU A 23 -6.584 -1.815 7.484 1.00 0.00 C ATOM 362 CG LEU A 23 -6.260 -2.314 6.066 1.00 0.00 C ATOM 363 CD1 LEU A 23 -6.020 -3.827 6.069 1.00 0.00 C ATOM 364 CD2 LEU A 23 -7.438 -1.999 5.146 1.00 0.00 C ATOM 0 H LEU A 23 -6.589 -3.897 8.820 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.494 -2.156 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.507 -2.276 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.752 -0.738 7.466 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.357 -1.814 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.792 -4.161 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.182 -4.061 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.915 -4.337 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.216 -2.350 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.333 -2.500 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.607 -0.922 5.127 1.00 0.00 H new ATOM 376 N LYS A 24 -6.290 -1.138 10.497 1.00 0.00 N ATOM 377 CA LYS A 24 -6.285 -0.140 11.608 1.00 0.00 C ATOM 378 C LYS A 24 -5.059 -0.384 12.482 1.00 0.00 C ATOM 379 O LYS A 24 -4.348 0.538 12.835 1.00 0.00 O ATOM 380 CB LYS A 24 -7.560 -0.278 12.453 1.00 0.00 C ATOM 381 CG LYS A 24 -8.798 -0.369 11.541 1.00 0.00 C ATOM 382 CD LYS A 24 -9.773 0.785 11.835 1.00 0.00 C ATOM 383 CE LYS A 24 -11.121 0.234 12.315 1.00 0.00 C ATOM 384 NZ LYS A 24 -11.318 0.582 13.751 1.00 0.00 N ATOM 0 H LYS A 24 -7.039 -1.829 10.541 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.252 0.867 11.192 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.495 -1.168 13.079 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.655 0.577 13.123 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.490 -0.335 10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.300 -1.324 11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.350 1.443 12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.917 1.386 10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.930 0.650 11.715 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.151 -0.848 12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.319 0.457 14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.731 -0.040 14.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.042 1.572 13.909 1.00 0.00 H new ATOM 398 N ASP A 25 -4.788 -1.625 12.809 1.00 0.00 N ATOM 399 CA ASP A 25 -3.588 -1.945 13.633 1.00 0.00 C ATOM 400 C ASP A 25 -2.348 -1.443 12.890 1.00 0.00 C ATOM 401 O ASP A 25 -1.394 -0.973 13.478 1.00 0.00 O ATOM 402 CB ASP A 25 -3.493 -3.457 13.803 1.00 0.00 C ATOM 403 CG ASP A 25 -2.752 -3.786 15.101 1.00 0.00 C ATOM 404 OD1 ASP A 25 -1.699 -3.210 15.320 1.00 0.00 O ATOM 405 OD2 ASP A 25 -3.250 -4.606 15.853 1.00 0.00 O ATOM 0 H ASP A 25 -5.351 -2.431 12.538 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.659 -1.471 14.612 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.492 -3.894 13.823 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.970 -3.896 12.953 1.00 0.00 H new ATOM 410 N ALA A 26 -2.390 -1.532 11.590 1.00 0.00 N ATOM 411 CA ALA A 26 -1.260 -1.060 10.754 1.00 0.00 C ATOM 412 C ALA A 26 -1.134 0.457 10.900 1.00 0.00 C ATOM 413 O ALA A 26 -0.054 1.012 10.828 1.00 0.00 O ATOM 414 CB ALA A 26 -1.565 -1.405 9.297 1.00 0.00 C ATOM 0 H ALA A 26 -3.175 -1.919 11.066 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.329 -1.534 11.065 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.745 -1.066 8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.680 -2.484 9.195 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.488 -0.911 8.992 1.00 0.00 H new ATOM 420 N GLY A 27 -2.240 1.128 11.098 1.00 0.00 N ATOM 421 CA GLY A 27 -2.210 2.613 11.243 1.00 0.00 C ATOM 422 C GLY A 27 -3.196 3.223 10.248 1.00 0.00 C ATOM 423 O GLY A 27 -2.911 4.213 9.601 1.00 0.00 O ATOM 0 H GLY A 27 -3.167 0.708 11.166 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.475 2.899 12.261 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.204 2.990 11.058 1.00 0.00 H new ATOM 427 N VAL A 28 -4.353 2.626 10.119 1.00 0.00 N ATOM 428 CA VAL A 28 -5.372 3.143 9.168 1.00 0.00 C ATOM 429 C VAL A 28 -6.619 3.570 9.952 1.00 0.00 C ATOM 430 O VAL A 28 -6.999 2.939 10.922 1.00 0.00 O ATOM 431 CB VAL A 28 -5.713 2.026 8.172 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.811 2.485 7.211 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.460 1.673 7.369 1.00 0.00 C ATOM 0 H VAL A 28 -4.634 1.795 10.639 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.993 4.008 8.623 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.067 1.155 8.723 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.041 1.682 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.707 2.741 7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.469 3.360 6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.694 0.880 6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.114 2.554 6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.677 1.333 8.047 1.00 0.00 H new ATOM 443 N LYS A 29 -7.248 4.641 9.544 1.00 0.00 N ATOM 444 CA LYS A 29 -8.465 5.124 10.261 1.00 0.00 C ATOM 445 C LYS A 29 -9.687 4.328 9.791 1.00 0.00 C ATOM 446 O LYS A 29 -9.812 4.000 8.628 1.00 0.00 O ATOM 447 CB LYS A 29 -8.667 6.619 9.958 1.00 0.00 C ATOM 448 CG LYS A 29 -8.505 7.438 11.242 1.00 0.00 C ATOM 449 CD LYS A 29 -7.816 8.767 10.920 1.00 0.00 C ATOM 450 CE LYS A 29 -8.351 9.859 11.847 1.00 0.00 C ATOM 451 NZ LYS A 29 -7.675 11.150 11.533 1.00 0.00 N ATOM 0 H LYS A 29 -6.969 5.205 8.741 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.341 4.984 11.335 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.944 6.949 9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.658 6.782 9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.480 7.622 11.693 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.917 6.879 11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.737 8.668 11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.995 9.039 9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.429 9.961 11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.174 9.587 12.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.038 11.894 12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.649 11.048 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.865 11.410 10.544 1.00 0.00 H new ATOM 465 N ALA A 30 -10.589 4.017 10.693 1.00 0.00 N ATOM 466 CA ALA A 30 -11.811 3.242 10.313 1.00 0.00 C ATOM 467 C ALA A 30 -12.606 4.022 9.263 1.00 0.00 C ATOM 468 O ALA A 30 -13.128 3.455 8.321 1.00 0.00 O ATOM 469 CB ALA A 30 -12.684 3.030 11.552 1.00 0.00 C ATOM 0 H ALA A 30 -10.530 4.268 11.680 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.515 2.277 9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.575 2.465 11.277 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.121 2.476 12.303 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.979 3.997 11.959 1.00 0.00 H new ATOM 475 N ASN A 31 -12.696 5.318 9.419 1.00 0.00 N ATOM 476 CA ASN A 31 -13.444 6.146 8.434 1.00 0.00 C ATOM 477 C ASN A 31 -12.757 6.051 7.065 1.00 0.00 C ATOM 478 O ASN A 31 -13.379 6.246 6.038 1.00 0.00 O ATOM 479 CB ASN A 31 -13.452 7.603 8.914 1.00 0.00 C ATOM 480 CG ASN A 31 -14.870 8.169 8.828 1.00 0.00 C ATOM 481 OD1 ASN A 31 -15.136 9.058 8.044 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.796 7.686 9.607 1.00 0.00 N ATOM 0 H ASN A 31 -12.280 5.838 10.192 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.469 5.786 8.344 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.090 7.659 9.941 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.775 8.200 8.304 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.746 8.054 9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.571 6.940 10.265 1.00 0.00 H new ATOM 489 N ARG A 32 -11.481 5.752 7.048 1.00 0.00 N ATOM 490 CA ARG A 32 -10.747 5.641 5.750 1.00 0.00 C ATOM 491 C ARG A 32 -10.424 4.167 5.486 1.00 0.00 C ATOM 492 O ARG A 32 -9.276 3.783 5.345 1.00 0.00 O ATOM 493 CB ARG A 32 -9.440 6.458 5.799 1.00 0.00 C ATOM 494 CG ARG A 32 -9.630 7.748 6.607 1.00 0.00 C ATOM 495 CD ARG A 32 -8.650 8.812 6.110 1.00 0.00 C ATOM 496 NE ARG A 32 -9.282 10.164 6.222 1.00 0.00 N ATOM 497 CZ ARG A 32 -10.308 10.507 5.469 1.00 0.00 C ATOM 498 NH1 ARG A 32 -10.821 9.682 4.585 1.00 0.00 N ATOM 499 NH2 ARG A 32 -10.828 11.697 5.605 1.00 0.00 N ATOM 0 H ARG A 32 -10.915 5.580 7.879 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.372 6.035 4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.648 5.858 6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.121 6.703 4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.654 8.106 6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.465 7.553 7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.732 8.778 6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.374 8.612 5.075 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.911 10.834 6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.425 8.749 4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.615 9.974 4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.440 12.348 6.288 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.622 11.975 5.029 1.00 0.00 H new ATOM 513 N ILE A 33 -11.435 3.339 5.422 1.00 0.00 N ATOM 514 CA ILE A 33 -11.206 1.886 5.172 1.00 0.00 C ATOM 515 C ILE A 33 -11.840 1.490 3.835 1.00 0.00 C ATOM 516 O ILE A 33 -13.049 1.442 3.703 1.00 0.00 O ATOM 517 CB ILE A 33 -11.842 1.073 6.314 1.00 0.00 C ATOM 518 CG1 ILE A 33 -11.129 1.400 7.634 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.737 -0.436 6.038 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.653 0.989 7.564 1.00 0.00 C ATOM 0 H ILE A 33 -12.412 3.609 5.533 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.136 1.682 5.132 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.896 1.341 6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.206 2.467 7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.619 0.880 8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.193 -0.989 6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.255 -0.673 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.688 -0.718 5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.164 1.228 8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.582 -0.083 7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.163 1.529 6.754 1.00 0.00 H new ATOM 532 N PHE A 34 -11.030 1.183 2.857 1.00 0.00 N ATOM 533 CA PHE A 34 -11.573 0.755 1.539 1.00 0.00 C ATOM 534 C PHE A 34 -11.419 -0.754 1.432 1.00 0.00 C ATOM 535 O PHE A 34 -10.363 -1.266 1.109 1.00 0.00 O ATOM 536 CB PHE A 34 -10.813 1.452 0.409 1.00 0.00 C ATOM 537 CG PHE A 34 -11.392 2.830 0.195 1.00 0.00 C ATOM 538 CD1 PHE A 34 -12.576 2.985 -0.534 1.00 0.00 C ATOM 539 CD2 PHE A 34 -10.749 3.952 0.730 1.00 0.00 C ATOM 540 CE1 PHE A 34 -13.115 4.262 -0.732 1.00 0.00 C ATOM 541 CE2 PHE A 34 -11.288 5.228 0.533 1.00 0.00 C ATOM 542 CZ PHE A 34 -12.471 5.384 -0.198 1.00 0.00 C ATOM 0 H PHE A 34 -10.012 1.211 2.916 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.625 1.027 1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.754 1.524 0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.886 0.868 -0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.075 2.119 -0.944 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.836 3.833 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.028 4.381 -1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.791 6.093 0.945 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.887 6.369 -0.350 1.00 0.00 H new ATOM 552 N THR A 35 -12.466 -1.468 1.742 1.00 0.00 N ATOM 553 CA THR A 35 -12.404 -2.953 1.712 1.00 0.00 C ATOM 554 C THR A 35 -13.245 -3.489 0.549 1.00 0.00 C ATOM 555 O THR A 35 -14.415 -3.179 0.418 1.00 0.00 O ATOM 556 CB THR A 35 -12.944 -3.511 3.046 1.00 0.00 C ATOM 557 OG1 THR A 35 -13.244 -2.442 3.937 1.00 0.00 O ATOM 558 CG2 THR A 35 -11.894 -4.408 3.690 1.00 0.00 C ATOM 0 H THR A 35 -13.369 -1.081 2.017 1.00 0.00 H new ATOM 0 HA THR A 35 -11.370 -3.269 1.574 1.00 0.00 H new ATOM 0 HB THR A 35 -13.849 -4.084 2.845 1.00 0.00 H new ATOM 0 HG1 THR A 35 -13.588 -2.805 4.780 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.278 -4.800 4.632 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.662 -5.236 3.020 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.989 -3.831 3.880 1.00 0.00 H new ATOM 566 N ASP A 36 -12.655 -4.307 -0.282 1.00 0.00 N ATOM 567 CA ASP A 36 -13.401 -4.894 -1.432 1.00 0.00 C ATOM 568 C ASP A 36 -14.086 -6.177 -0.959 1.00 0.00 C ATOM 569 O ASP A 36 -13.442 -7.189 -0.756 1.00 0.00 O ATOM 570 CB ASP A 36 -12.415 -5.225 -2.557 1.00 0.00 C ATOM 571 CG ASP A 36 -11.975 -3.937 -3.262 1.00 0.00 C ATOM 572 OD1 ASP A 36 -12.079 -2.880 -2.657 1.00 0.00 O ATOM 573 OD2 ASP A 36 -11.536 -4.029 -4.395 1.00 0.00 O ATOM 0 H ASP A 36 -11.679 -4.596 -0.212 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.144 -4.188 -1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.546 -5.742 -2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.881 -5.901 -3.274 1.00 0.00 H new ATOM 578 N LYS A 37 -15.380 -6.140 -0.765 1.00 0.00 N ATOM 579 CA LYS A 37 -16.105 -7.355 -0.287 1.00 0.00 C ATOM 580 C LYS A 37 -16.145 -8.406 -1.402 1.00 0.00 C ATOM 581 O LYS A 37 -17.179 -8.682 -1.980 1.00 0.00 O ATOM 582 CB LYS A 37 -17.530 -6.971 0.131 1.00 0.00 C ATOM 583 CG LYS A 37 -17.897 -7.691 1.426 1.00 0.00 C ATOM 584 CD LYS A 37 -17.124 -7.065 2.585 1.00 0.00 C ATOM 585 CE LYS A 37 -17.627 -7.647 3.902 1.00 0.00 C ATOM 586 NZ LYS A 37 -19.104 -7.467 3.995 1.00 0.00 N ATOM 0 H LYS A 37 -15.966 -5.319 -0.917 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.584 -7.775 0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.600 -5.892 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.235 -7.237 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.969 -7.617 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.660 -8.752 1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.057 -7.260 2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.253 -5.983 2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.375 -8.706 3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.136 -7.153 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.384 -7.405 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.379 -6.593 3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.581 -8.278 3.552 1.00 0.00 H new ATOM 600 N ALA A 38 -15.014 -8.996 -1.707 1.00 0.00 N ATOM 601 CA ALA A 38 -14.947 -10.035 -2.785 1.00 0.00 C ATOM 602 C ALA A 38 -16.029 -11.104 -2.566 1.00 0.00 C ATOM 603 O ALA A 38 -16.488 -11.733 -3.502 1.00 0.00 O ATOM 604 CB ALA A 38 -13.569 -10.702 -2.756 1.00 0.00 C ATOM 0 H ALA A 38 -14.124 -8.800 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.113 -9.555 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.515 -11.459 -3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.797 -9.951 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.413 -11.172 -1.785 1.00 0.00 H new ATOM 661 N ASP A 44 -15.494 -7.547 -5.902 1.00 0.00 N ATOM 662 CA ASP A 44 -15.802 -6.199 -5.343 1.00 0.00 C ATOM 663 C ASP A 44 -14.644 -5.246 -5.642 1.00 0.00 C ATOM 664 O ASP A 44 -14.218 -4.484 -4.795 1.00 0.00 O ATOM 665 CB ASP A 44 -16.008 -6.310 -3.831 1.00 0.00 C ATOM 666 CG ASP A 44 -17.501 -6.447 -3.528 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.133 -7.294 -4.137 1.00 0.00 O ATOM 668 OD2 ASP A 44 -17.988 -5.702 -2.695 1.00 0.00 O ATOM 0 HA ASP A 44 -16.712 -5.811 -5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.467 -7.172 -3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.604 -5.429 -3.333 1.00 0.00 H new ATOM 673 N ARG A 45 -14.137 -5.280 -6.849 1.00 0.00 N ATOM 674 CA ARG A 45 -13.014 -4.372 -7.217 1.00 0.00 C ATOM 675 C ARG A 45 -13.538 -2.935 -7.260 1.00 0.00 C ATOM 676 O ARG A 45 -13.808 -2.392 -8.314 1.00 0.00 O ATOM 677 CB ARG A 45 -12.464 -4.762 -8.591 1.00 0.00 C ATOM 678 CG ARG A 45 -11.675 -6.067 -8.477 1.00 0.00 C ATOM 679 CD ARG A 45 -11.412 -6.629 -9.874 1.00 0.00 C ATOM 680 NE ARG A 45 -10.902 -8.031 -9.760 1.00 0.00 N ATOM 681 CZ ARG A 45 -9.657 -8.284 -9.410 1.00 0.00 C ATOM 682 NH1 ARG A 45 -8.806 -7.319 -9.146 1.00 0.00 N ATOM 683 NH2 ARG A 45 -9.259 -9.524 -9.324 1.00 0.00 N ATOM 0 H ARG A 45 -14.455 -5.899 -7.595 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.215 -4.453 -6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.282 -4.881 -9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -11.822 -3.969 -8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.731 -5.890 -7.961 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.232 -6.790 -7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.329 -6.611 -10.463 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.685 -6.008 -10.397 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.532 -8.808 -9.958 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.103 -6.345 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.848 -7.543 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.909 -10.283 -9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.298 -9.734 -9.054 1.00 0.00 H new ATOM 697 N LYS A 46 -13.692 -2.330 -6.115 1.00 0.00 N ATOM 698 CA LYS A 46 -14.212 -0.930 -6.061 1.00 0.00 C ATOM 699 C LYS A 46 -13.458 -0.123 -4.996 1.00 0.00 C ATOM 700 O LYS A 46 -13.177 1.045 -5.186 1.00 0.00 O ATOM 701 CB LYS A 46 -15.710 -0.944 -5.732 1.00 0.00 C ATOM 702 CG LYS A 46 -15.978 -1.805 -4.494 1.00 0.00 C ATOM 703 CD LYS A 46 -16.069 -0.915 -3.257 1.00 0.00 C ATOM 704 CE LYS A 46 -17.501 -0.400 -3.103 1.00 0.00 C ATOM 705 NZ LYS A 46 -17.574 0.525 -1.937 1.00 0.00 N ATOM 0 H LYS A 46 -13.479 -2.746 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.059 -0.462 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.060 0.074 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.272 -1.333 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.906 -2.363 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.180 -2.537 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.776 -1.476 -2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.378 -0.077 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -17.812 0.117 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.186 -1.236 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -18.548 0.875 -1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.294 0.018 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.932 1.328 -2.091 1.00 0.00 H new ATOM 719 N GLY A 47 -13.132 -0.731 -3.880 1.00 0.00 N ATOM 720 CA GLY A 47 -12.399 0.001 -2.800 1.00 0.00 C ATOM 721 C GLY A 47 -11.126 0.647 -3.362 1.00 0.00 C ATOM 722 O GLY A 47 -10.918 1.839 -3.230 1.00 0.00 O ATOM 0 H GLY A 47 -13.343 -1.707 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.044 0.767 -2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.141 -0.688 -1.996 1.00 0.00 H new ATOM 726 N LEU A 48 -10.277 -0.130 -3.987 1.00 0.00 N ATOM 727 CA LEU A 48 -9.021 0.438 -4.560 1.00 0.00 C ATOM 728 C LEU A 48 -9.380 1.418 -5.692 1.00 0.00 C ATOM 729 O LEU A 48 -8.692 2.399 -5.916 1.00 0.00 O ATOM 730 CB LEU A 48 -8.100 -0.731 -5.023 1.00 0.00 C ATOM 731 CG LEU A 48 -8.103 -0.940 -6.551 1.00 0.00 C ATOM 732 CD1 LEU A 48 -7.033 -1.973 -6.920 1.00 0.00 C ATOM 733 CD2 LEU A 48 -9.483 -1.443 -7.004 1.00 0.00 C ATOM 0 H LEU A 48 -10.401 -1.133 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.465 1.006 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.080 -0.534 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.421 -1.652 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.887 0.006 -7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.031 -2.125 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.055 -1.613 -6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.252 -2.917 -6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.480 -1.589 -8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.706 -2.389 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.243 -0.708 -6.739 1.00 0.00 H new ATOM 745 N ASP A 49 -10.457 1.161 -6.394 1.00 0.00 N ATOM 746 CA ASP A 49 -10.874 2.074 -7.499 1.00 0.00 C ATOM 747 C ASP A 49 -11.253 3.423 -6.866 1.00 0.00 C ATOM 748 O ASP A 49 -10.868 4.476 -7.342 1.00 0.00 O ATOM 749 CB ASP A 49 -12.063 1.423 -8.258 1.00 0.00 C ATOM 750 CG ASP A 49 -13.051 2.467 -8.813 1.00 0.00 C ATOM 751 OD1 ASP A 49 -13.937 2.866 -8.075 1.00 0.00 O ATOM 752 OD2 ASP A 49 -12.897 2.845 -9.963 1.00 0.00 O ATOM 0 H ASP A 49 -11.065 0.356 -6.247 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.076 2.241 -8.222 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.678 0.819 -9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.593 0.747 -7.586 1.00 0.00 H new ATOM 757 N LEU A 50 -11.993 3.387 -5.788 1.00 0.00 N ATOM 758 CA LEU A 50 -12.392 4.648 -5.101 1.00 0.00 C ATOM 759 C LEU A 50 -11.178 5.224 -4.367 1.00 0.00 C ATOM 760 O LEU A 50 -11.075 6.420 -4.169 1.00 0.00 O ATOM 761 CB LEU A 50 -13.506 4.350 -4.096 1.00 0.00 C ATOM 762 CG LEU A 50 -14.685 3.701 -4.824 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.477 2.834 -3.844 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.595 4.793 -5.391 1.00 0.00 C ATOM 0 H LEU A 50 -12.339 2.532 -5.353 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.753 5.369 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.137 3.687 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.827 5.270 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.312 3.079 -5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.317 2.372 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.828 2.057 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.851 3.454 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.436 4.333 -5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -15.968 5.415 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.031 5.410 -6.090 1.00 0.00 H new ATOM 776 N LEU A 51 -10.252 4.379 -3.974 1.00 0.00 N ATOM 777 CA LEU A 51 -9.033 4.867 -3.261 1.00 0.00 C ATOM 778 C LEU A 51 -8.280 5.846 -4.165 1.00 0.00 C ATOM 779 O LEU A 51 -7.790 6.865 -3.718 1.00 0.00 O ATOM 780 CB LEU A 51 -8.130 3.672 -2.933 1.00 0.00 C ATOM 781 CG LEU A 51 -7.218 4.020 -1.756 1.00 0.00 C ATOM 782 CD1 LEU A 51 -7.999 3.888 -0.448 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.028 3.057 -1.734 1.00 0.00 C ATOM 0 H LEU A 51 -10.291 3.370 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.319 5.371 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.738 2.801 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.530 3.408 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.860 5.044 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.349 4.136 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.849 4.570 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.356 2.864 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.376 3.303 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.389 2.034 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.470 3.147 -2.666 1.00 0.00 H new ATOM 795 N ARG A 52 -8.201 5.549 -5.437 1.00 0.00 N ATOM 796 CA ARG A 52 -7.497 6.465 -6.385 1.00 0.00 C ATOM 797 C ARG A 52 -8.193 7.831 -6.395 1.00 0.00 C ATOM 798 O ARG A 52 -7.596 8.835 -6.736 1.00 0.00 O ATOM 799 CB ARG A 52 -7.532 5.863 -7.793 1.00 0.00 C ATOM 800 CG ARG A 52 -6.796 4.522 -7.791 1.00 0.00 C ATOM 801 CD ARG A 52 -7.428 3.590 -8.829 1.00 0.00 C ATOM 802 NE ARG A 52 -7.474 4.280 -10.156 1.00 0.00 N ATOM 803 CZ ARG A 52 -7.840 3.641 -11.251 1.00 0.00 C ATOM 804 NH1 ARG A 52 -8.176 2.371 -11.226 1.00 0.00 N ATOM 805 NH2 ARG A 52 -7.870 4.285 -12.385 1.00 0.00 N ATOM 0 H ARG A 52 -8.595 4.709 -5.861 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.462 6.591 -6.067 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.564 5.723 -8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.066 6.545 -8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.741 4.674 -8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.847 4.069 -6.801 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.850 2.669 -8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.434 3.310 -8.517 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.217 5.265 -10.215 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.158 1.856 -10.346 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.455 1.900 -12.087 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.612 5.271 -12.418 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.151 3.802 -13.238 1.00 0.00 H new ATOM 819 N MET A 53 -9.450 7.877 -6.022 1.00 0.00 N ATOM 820 CA MET A 53 -10.187 9.175 -6.005 1.00 0.00 C ATOM 821 C MET A 53 -10.245 9.711 -4.571 1.00 0.00 C ATOM 822 O MET A 53 -10.322 10.906 -4.351 1.00 0.00 O ATOM 823 CB MET A 53 -11.619 8.972 -6.524 1.00 0.00 C ATOM 824 CG MET A 53 -11.608 8.112 -7.792 1.00 0.00 C ATOM 825 SD MET A 53 -10.782 9.013 -9.127 1.00 0.00 S ATOM 826 CE MET A 53 -9.693 7.673 -9.665 1.00 0.00 C ATOM 0 H MET A 53 -9.997 7.067 -5.728 1.00 0.00 H new ATOM 0 HA MET A 53 -9.667 9.887 -6.646 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.227 8.493 -5.757 1.00 0.00 H new ATOM 0 HB3 MET A 53 -12.077 9.938 -6.736 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.092 7.171 -7.601 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.628 7.863 -8.084 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.648 7.656 -10.754 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.693 7.834 -9.263 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.081 6.721 -9.303 1.00 0.00 H new ATOM 836 N LYS A 54 -10.217 8.835 -3.596 1.00 0.00 N ATOM 837 CA LYS A 54 -10.281 9.285 -2.173 1.00 0.00 C ATOM 838 C LYS A 54 -8.887 9.688 -1.687 1.00 0.00 C ATOM 839 O LYS A 54 -8.745 10.524 -0.813 1.00 0.00 O ATOM 840 CB LYS A 54 -10.812 8.143 -1.305 1.00 0.00 C ATOM 841 CG LYS A 54 -11.681 8.716 -0.181 1.00 0.00 C ATOM 842 CD LYS A 54 -13.128 8.830 -0.664 1.00 0.00 C ATOM 843 CE LYS A 54 -13.335 10.182 -1.349 1.00 0.00 C ATOM 844 NZ LYS A 54 -14.792 10.488 -1.410 1.00 0.00 N ATOM 0 H LYS A 54 -10.152 7.825 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.946 10.145 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.395 7.451 -1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.982 7.576 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.629 8.073 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.308 9.695 0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.355 8.021 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.812 8.729 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.811 10.964 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.914 10.161 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.935 11.407 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.280 9.746 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.180 10.525 -0.446 1.00 0.00 H new ATOM 858 N VAL A 55 -7.858 9.099 -2.241 1.00 0.00 N ATOM 859 CA VAL A 55 -6.466 9.439 -1.811 1.00 0.00 C ATOM 860 C VAL A 55 -6.196 10.926 -2.056 1.00 0.00 C ATOM 861 O VAL A 55 -6.753 11.529 -2.954 1.00 0.00 O ATOM 862 CB VAL A 55 -5.461 8.597 -2.607 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.551 7.133 -2.158 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.764 8.707 -4.112 1.00 0.00 C ATOM 0 H VAL A 55 -7.921 8.394 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.357 9.224 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.452 8.967 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.837 6.534 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.321 7.064 -1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.559 6.759 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.047 8.107 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.773 8.343 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.687 9.749 -4.423 1.00 0.00 H new ATOM 874 N GLU A 56 -5.344 11.516 -1.259 1.00 0.00 N ATOM 875 CA GLU A 56 -5.028 12.964 -1.430 1.00 0.00 C ATOM 876 C GLU A 56 -3.525 13.132 -1.660 1.00 0.00 C ATOM 877 O GLU A 56 -2.738 12.256 -1.347 1.00 0.00 O ATOM 878 CB GLU A 56 -5.442 13.726 -0.167 1.00 0.00 C ATOM 879 CG GLU A 56 -5.987 15.103 -0.554 1.00 0.00 C ATOM 880 CD GLU A 56 -5.797 16.074 0.613 1.00 0.00 C ATOM 881 OE1 GLU A 56 -6.419 15.861 1.641 1.00 0.00 O ATOM 882 OE2 GLU A 56 -5.033 17.012 0.460 1.00 0.00 O ATOM 0 H GLU A 56 -4.852 11.055 -0.494 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.572 13.359 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.200 13.163 0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.587 13.836 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.470 15.475 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.044 15.029 -0.811 1.00 0.00 H new ATOM 889 N GLU A 57 -3.122 14.253 -2.202 1.00 0.00 N ATOM 890 CA GLU A 57 -1.671 14.490 -2.456 1.00 0.00 C ATOM 891 C GLU A 57 -0.917 14.509 -1.125 1.00 0.00 C ATOM 892 O GLU A 57 -1.090 15.401 -0.317 1.00 0.00 O ATOM 893 CB GLU A 57 -1.488 15.833 -3.165 1.00 0.00 C ATOM 894 CG GLU A 57 -0.053 15.943 -3.684 1.00 0.00 C ATOM 895 CD GLU A 57 -0.027 16.833 -4.927 1.00 0.00 C ATOM 896 OE1 GLU A 57 -0.769 16.546 -5.853 1.00 0.00 O ATOM 897 OE2 GLU A 57 0.732 17.789 -4.933 1.00 0.00 O ATOM 0 H GLU A 57 -3.739 15.016 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.278 13.692 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.193 15.919 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.701 16.652 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.593 16.360 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.335 14.953 -3.924 1.00 0.00 H new ATOM 904 N GLY A 58 -0.085 13.526 -0.894 1.00 0.00 N ATOM 905 CA GLY A 58 0.685 13.473 0.382 1.00 0.00 C ATOM 906 C GLY A 58 -0.042 12.576 1.389 1.00 0.00 C ATOM 907 O GLY A 58 0.121 12.722 2.585 1.00 0.00 O ATOM 0 H GLY A 58 0.094 12.755 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.688 13.089 0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.799 14.477 0.791 1.00 0.00 H new ATOM 911 N ASP A 59 -0.840 11.651 0.914 1.00 0.00 N ATOM 912 CA ASP A 59 -1.577 10.741 1.842 1.00 0.00 C ATOM 913 C ASP A 59 -0.804 9.444 2.005 1.00 0.00 C ATOM 914 O ASP A 59 0.302 9.305 1.516 1.00 0.00 O ATOM 915 CB ASP A 59 -2.971 10.450 1.276 1.00 0.00 C ATOM 916 CG ASP A 59 -3.948 11.559 1.689 1.00 0.00 C ATOM 917 OD1 ASP A 59 -3.491 12.642 2.023 1.00 0.00 O ATOM 918 OD2 ASP A 59 -5.141 11.306 1.657 1.00 0.00 O ATOM 0 H ASP A 59 -1.012 11.488 -0.078 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.679 11.220 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.924 10.382 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.327 9.486 1.641 1.00 0.00 H new ATOM 923 N VAL A 60 -1.367 8.501 2.713 1.00 0.00 N ATOM 924 CA VAL A 60 -0.651 7.222 2.937 1.00 0.00 C ATOM 925 C VAL A 60 -1.597 6.031 2.710 1.00 0.00 C ATOM 926 O VAL A 60 -2.742 6.045 3.120 1.00 0.00 O ATOM 927 CB VAL A 60 -0.086 7.238 4.366 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.185 6.989 5.409 1.00 0.00 C ATOM 929 CG2 VAL A 60 0.988 6.169 4.485 1.00 0.00 C ATOM 0 H VAL A 60 -2.290 8.565 3.143 1.00 0.00 H new ATOM 0 HA VAL A 60 0.169 7.111 2.228 1.00 0.00 H new ATOM 0 HB VAL A 60 0.338 8.223 4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.749 7.007 6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.944 7.767 5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.642 6.016 5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.395 6.173 5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.554 5.192 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.786 6.374 3.772 1.00 0.00 H new ATOM 939 N ILE A 61 -1.115 5.005 2.057 1.00 0.00 N ATOM 940 CA ILE A 61 -1.960 3.805 1.789 1.00 0.00 C ATOM 941 C ILE A 61 -1.305 2.577 2.434 1.00 0.00 C ATOM 942 O ILE A 61 -0.234 2.158 2.039 1.00 0.00 O ATOM 943 CB ILE A 61 -2.071 3.610 0.269 1.00 0.00 C ATOM 944 CG1 ILE A 61 -2.778 4.823 -0.342 1.00 0.00 C ATOM 945 CG2 ILE A 61 -2.869 2.342 -0.055 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.186 5.121 -1.721 1.00 0.00 C ATOM 0 H ILE A 61 -0.163 4.948 1.695 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.957 3.938 2.210 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.069 3.509 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.847 4.628 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.663 5.690 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.937 2.221 -1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.367 1.476 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.872 2.426 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.690 5.985 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.122 5.334 -1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.324 4.257 -2.371 1.00 0.00 H new ATOM 958 N LEU A 62 -1.943 2.006 3.423 1.00 0.00 N ATOM 959 CA LEU A 62 -1.363 0.810 4.102 1.00 0.00 C ATOM 960 C LEU A 62 -1.909 -0.466 3.453 1.00 0.00 C ATOM 961 O LEU A 62 -3.098 -0.604 3.233 1.00 0.00 O ATOM 962 CB LEU A 62 -1.743 0.834 5.587 1.00 0.00 C ATOM 963 CG LEU A 62 -0.560 1.347 6.412 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.080 2.057 7.662 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.319 0.165 6.828 1.00 0.00 C ATOM 0 H LEU A 62 -2.842 2.317 3.790 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.278 0.827 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.611 1.475 5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.023 -0.166 5.917 1.00 0.00 H new ATOM 0 HG LEU A 62 0.025 2.045 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.238 2.422 8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.709 2.897 7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.664 1.358 8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.162 0.528 7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.268 -0.532 7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.689 -0.344 5.938 1.00 0.00 H new ATOM 977 N VAL A 63 -1.041 -1.400 3.153 1.00 0.00 N ATOM 978 CA VAL A 63 -1.489 -2.677 2.525 1.00 0.00 C ATOM 979 C VAL A 63 -1.030 -3.851 3.398 1.00 0.00 C ATOM 980 O VAL A 63 0.040 -4.396 3.207 1.00 0.00 O ATOM 981 CB VAL A 63 -0.874 -2.799 1.127 1.00 0.00 C ATOM 982 CG1 VAL A 63 -1.414 -4.052 0.436 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.243 -1.565 0.302 1.00 0.00 C ATOM 0 H VAL A 63 -0.037 -1.331 3.318 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.576 -2.689 2.440 1.00 0.00 H new ATOM 0 HB VAL A 63 0.210 -2.872 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.975 -4.137 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.154 -4.932 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.498 -3.981 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.807 -1.649 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.327 -1.494 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.858 -0.671 0.793 1.00 0.00 H new ATOM 1207 N ILE A 77 0.408 -3.001 -9.988 1.00 0.00 N ATOM 1208 CA ILE A 77 1.269 -1.831 -10.322 1.00 0.00 C ATOM 1209 C ILE A 77 0.397 -0.658 -10.796 1.00 0.00 C ATOM 1210 O ILE A 77 0.823 0.481 -10.776 1.00 0.00 O ATOM 1211 CB ILE A 77 2.246 -2.234 -11.433 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.061 -3.446 -10.976 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.191 -1.071 -11.738 1.00 0.00 C ATOM 1214 CD1 ILE A 77 2.387 -4.730 -11.464 1.00 0.00 C ATOM 0 HA ILE A 77 1.825 -1.520 -9.437 1.00 0.00 H new ATOM 0 HB ILE A 77 1.685 -2.487 -12.333 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.076 -3.384 -11.369 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.140 -3.455 -9.889 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.883 -1.362 -12.528 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.612 -0.207 -12.064 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.753 -0.814 -10.840 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.968 -5.593 -11.138 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.381 -4.793 -11.050 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.331 -4.721 -12.553 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.816 -0.924 -11.224 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.705 0.180 -11.703 1.00 0.00 C ATOM 1228 C GLN A 78 -2.046 1.115 -10.544 1.00 0.00 C ATOM 1229 O GLN A 78 -1.609 2.249 -10.507 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.997 -0.412 -12.280 1.00 0.00 C ATOM 1231 CG GLN A 78 -3.420 0.372 -13.532 1.00 0.00 C ATOM 1232 CD GLN A 78 -4.722 1.130 -13.259 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -5.766 0.770 -13.768 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -4.706 2.171 -12.473 1.00 0.00 N ATOM 0 H GLN A 78 -1.227 -1.857 -11.262 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.185 0.744 -12.478 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.845 -1.462 -12.532 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.789 -0.375 -11.533 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.634 1.072 -13.816 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.556 -0.311 -14.370 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.831 2.474 -12.045 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.569 2.682 -12.286 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.836 0.656 -9.600 1.00 0.00 N ATOM 1244 CA LEU A 79 -3.218 1.530 -8.447 1.00 0.00 C ATOM 1245 C LEU A 79 -1.955 2.079 -7.763 1.00 0.00 C ATOM 1246 O LEU A 79 -1.914 3.217 -7.350 1.00 0.00 O ATOM 1247 CB LEU A 79 -4.100 0.740 -7.450 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.288 -0.291 -6.646 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -4.132 -0.792 -5.475 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.919 -1.478 -7.535 1.00 0.00 C ATOM 0 H LEU A 79 -3.231 -0.284 -9.580 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.800 2.376 -8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.582 1.436 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.894 0.229 -7.995 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.377 0.181 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.562 -1.523 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.396 0.047 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.041 -1.258 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.345 -2.201 -6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.828 -1.951 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.321 -1.130 -8.377 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.919 1.280 -7.672 1.00 0.00 N ATOM 1263 CA ILE A 80 0.352 1.746 -7.038 1.00 0.00 C ATOM 1264 C ILE A 80 0.875 2.961 -7.829 1.00 0.00 C ATOM 1265 O ILE A 80 1.268 3.959 -7.254 1.00 0.00 O ATOM 1266 CB ILE A 80 1.363 0.565 -7.035 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.206 -0.231 -5.733 1.00 0.00 C ATOM 1268 CG2 ILE A 80 2.821 1.047 -7.127 1.00 0.00 C ATOM 1269 CD1 ILE A 80 -0.197 -0.840 -5.649 1.00 0.00 C ATOM 0 H ILE A 80 -0.901 0.319 -8.013 1.00 0.00 H new ATOM 0 HA ILE A 80 0.198 2.059 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 80 1.146 -0.050 -7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.956 -1.021 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.379 0.421 -4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.490 0.186 -7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.961 1.609 -8.050 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.047 1.687 -6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.295 -1.402 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.941 -0.044 -5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.355 -1.508 -6.496 1.00 0.00 H new ATOM 1281 N LYS A 81 0.865 2.884 -9.136 1.00 0.00 N ATOM 1282 CA LYS A 81 1.345 4.032 -9.960 1.00 0.00 C ATOM 1283 C LYS A 81 0.350 5.194 -9.836 1.00 0.00 C ATOM 1284 O LYS A 81 0.709 6.345 -9.994 1.00 0.00 O ATOM 1285 CB LYS A 81 1.453 3.596 -11.432 1.00 0.00 C ATOM 1286 CG LYS A 81 2.908 3.715 -11.915 1.00 0.00 C ATOM 1287 CD LYS A 81 3.503 2.320 -12.115 1.00 0.00 C ATOM 1288 CE LYS A 81 3.115 1.796 -13.498 1.00 0.00 C ATOM 1289 NZ LYS A 81 4.213 0.942 -14.031 1.00 0.00 N ATOM 0 H LYS A 81 0.545 2.074 -9.667 1.00 0.00 H new ATOM 0 HA LYS A 81 2.325 4.354 -9.608 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.109 2.567 -11.541 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.805 4.216 -12.051 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.946 4.274 -12.850 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.498 4.271 -11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.588 2.358 -12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.139 1.643 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.191 1.221 -13.435 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.927 2.629 -14.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.808 0.172 -14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.843 1.518 -14.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.755 0.540 -13.240 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.895 4.895 -9.563 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.920 5.970 -9.435 1.00 0.00 C ATOM 1305 C GLU A 82 -1.590 6.871 -8.240 1.00 0.00 C ATOM 1306 O GLU A 82 -1.461 8.073 -8.384 1.00 0.00 O ATOM 1307 CB GLU A 82 -3.297 5.334 -9.239 1.00 0.00 C ATOM 1308 CG GLU A 82 -4.363 6.231 -9.873 1.00 0.00 C ATOM 1309 CD GLU A 82 -4.571 5.823 -11.333 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -3.599 5.817 -12.070 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -5.699 5.526 -11.690 1.00 0.00 O ATOM 0 H GLU A 82 -1.245 3.947 -9.423 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.923 6.575 -10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.321 4.344 -9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.501 5.202 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.300 6.145 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.055 7.275 -9.816 1.00 0.00 H new ATOM 1318 N PHE A 83 -1.446 6.305 -7.064 1.00 0.00 N ATOM 1319 CA PHE A 83 -1.119 7.147 -5.865 1.00 0.00 C ATOM 1320 C PHE A 83 0.355 7.554 -5.910 1.00 0.00 C ATOM 1321 O PHE A 83 0.732 8.584 -5.384 1.00 0.00 O ATOM 1322 CB PHE A 83 -1.403 6.406 -4.538 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.508 5.379 -4.690 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.846 5.788 -4.712 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.192 4.023 -4.794 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.866 4.837 -4.842 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -3.210 3.072 -4.924 1.00 0.00 C ATOM 1328 CZ PHE A 83 -4.547 3.479 -4.947 1.00 0.00 C ATOM 0 H PHE A 83 -1.539 5.306 -6.882 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.759 8.029 -5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.493 5.913 -4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.682 7.129 -3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.092 6.836 -4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.159 3.707 -4.774 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.899 5.152 -4.861 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.963 2.024 -5.007 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.333 2.745 -5.046 1.00 0.00 H new ATOM 1338 N ASP A 84 1.191 6.765 -6.541 1.00 0.00 N ATOM 1339 CA ASP A 84 2.639 7.122 -6.627 1.00 0.00 C ATOM 1340 C ASP A 84 2.786 8.424 -7.413 1.00 0.00 C ATOM 1341 O ASP A 84 3.465 9.343 -6.995 1.00 0.00 O ATOM 1342 CB ASP A 84 3.400 6.009 -7.351 1.00 0.00 C ATOM 1343 CG ASP A 84 4.904 6.271 -7.255 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.370 6.543 -6.162 1.00 0.00 O ATOM 1345 OD2 ASP A 84 5.565 6.195 -8.278 1.00 0.00 O ATOM 0 H ASP A 84 0.932 5.891 -6.999 1.00 0.00 H new ATOM 0 HA ASP A 84 3.045 7.245 -5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.160 5.042 -6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.094 5.965 -8.396 1.00 0.00 H new ATOM 1350 N ALA A 85 2.144 8.502 -8.549 1.00 0.00 N ATOM 1351 CA ALA A 85 2.227 9.738 -9.381 1.00 0.00 C ATOM 1352 C ALA A 85 1.517 10.895 -8.670 1.00 0.00 C ATOM 1353 O ALA A 85 1.795 12.050 -8.930 1.00 0.00 O ATOM 1354 CB ALA A 85 1.557 9.485 -10.732 1.00 0.00 C ATOM 0 H ALA A 85 1.563 7.759 -8.938 1.00 0.00 H new ATOM 0 HA ALA A 85 3.274 9.999 -9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.616 10.386 -11.342 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.065 8.667 -11.243 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.511 9.221 -10.576 1.00 0.00 H new ATOM 1360 N GLN A 86 0.599 10.599 -7.778 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.128 11.683 -7.060 1.00 0.00 C ATOM 1362 C GLN A 86 0.686 12.166 -5.843 1.00 0.00 C ATOM 1363 O GLN A 86 0.206 12.961 -5.056 1.00 0.00 O ATOM 1364 CB GLN A 86 -1.486 11.145 -6.590 1.00 0.00 C ATOM 1365 CG GLN A 86 -2.605 11.737 -7.449 1.00 0.00 C ATOM 1366 CD GLN A 86 -3.939 11.099 -7.059 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -4.549 11.486 -6.082 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -4.423 10.130 -7.787 1.00 0.00 N ATOM 0 H GLN A 86 0.326 9.651 -7.520 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.272 12.526 -7.736 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.500 10.057 -6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.646 11.401 -5.542 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -2.652 12.817 -7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -2.400 11.560 -8.505 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.912 9.804 -8.607 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.312 9.698 -7.536 1.00 0.00 H new ATOM 1377 N GLY A 87 1.905 11.699 -5.678 1.00 0.00 N ATOM 1378 CA GLY A 87 2.726 12.141 -4.513 1.00 0.00 C ATOM 1379 C GLY A 87 2.190 11.489 -3.238 1.00 0.00 C ATOM 1380 O GLY A 87 2.258 12.057 -2.164 1.00 0.00 O ATOM 0 H GLY A 87 2.361 11.033 -6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.770 11.866 -4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.693 13.227 -4.421 1.00 0.00 H new ATOM 1384 N VAL A 88 1.656 10.300 -3.353 1.00 0.00 N ATOM 1385 CA VAL A 88 1.107 9.598 -2.156 1.00 0.00 C ATOM 1386 C VAL A 88 2.065 8.484 -1.734 1.00 0.00 C ATOM 1387 O VAL A 88 2.876 8.021 -2.513 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.257 8.999 -2.502 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -0.883 8.381 -1.249 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.175 10.101 -3.035 1.00 0.00 C ATOM 0 H VAL A 88 1.577 9.784 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 88 0.995 10.307 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.129 8.227 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.855 7.955 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.231 7.596 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.010 9.151 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.148 9.676 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.298 10.872 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.734 10.541 -3.929 1.00 0.00 H new ATOM 1400 N SER A 89 1.974 8.053 -0.502 1.00 0.00 N ATOM 1401 CA SER A 89 2.872 6.969 -0.015 1.00 0.00 C ATOM 1402 C SER A 89 2.071 5.675 0.149 1.00 0.00 C ATOM 1403 O SER A 89 0.883 5.703 0.401 1.00 0.00 O ATOM 1404 CB SER A 89 3.469 7.375 1.335 1.00 0.00 C ATOM 1405 OG SER A 89 4.739 7.979 1.125 1.00 0.00 O ATOM 0 H SER A 89 1.313 8.408 0.189 1.00 0.00 H new ATOM 0 HA SER A 89 3.674 6.808 -0.736 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.803 8.070 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.571 6.501 1.978 1.00 0.00 H new ATOM 0 HG SER A 89 5.123 8.242 1.988 1.00 0.00 H new ATOM 1411 N ILE A 90 2.718 4.545 0.010 1.00 0.00 N ATOM 1412 CA ILE A 90 2.002 3.244 0.161 1.00 0.00 C ATOM 1413 C ILE A 90 2.842 2.303 1.029 1.00 0.00 C ATOM 1414 O ILE A 90 3.839 1.763 0.590 1.00 0.00 O ATOM 1415 CB ILE A 90 1.775 2.618 -1.220 1.00 0.00 C ATOM 1416 CG1 ILE A 90 1.042 3.627 -2.115 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.935 1.343 -1.072 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.825 3.031 -3.506 1.00 0.00 C ATOM 0 H ILE A 90 3.713 4.469 -0.202 1.00 0.00 H new ATOM 0 HA ILE A 90 1.036 3.410 0.638 1.00 0.00 H new ATOM 0 HB ILE A 90 2.733 2.362 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.083 3.891 -1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.622 4.547 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.773 0.898 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.461 0.633 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.027 1.591 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.304 3.754 -4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.789 2.790 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.226 2.124 -3.424 1.00 0.00 H new ATOM 1430 N ARG A 91 2.446 2.108 2.261 1.00 0.00 N ATOM 1431 CA ARG A 91 3.217 1.207 3.168 1.00 0.00 C ATOM 1432 C ARG A 91 2.887 -0.250 2.838 1.00 0.00 C ATOM 1433 O ARG A 91 1.806 -0.729 3.125 1.00 0.00 O ATOM 1434 CB ARG A 91 2.837 1.498 4.621 1.00 0.00 C ATOM 1435 CG ARG A 91 3.179 2.952 4.959 1.00 0.00 C ATOM 1436 CD ARG A 91 3.523 3.064 6.445 1.00 0.00 C ATOM 1437 NE ARG A 91 4.942 2.644 6.661 1.00 0.00 N ATOM 1438 CZ ARG A 91 5.949 3.360 6.201 1.00 0.00 C ATOM 1439 NH1 ARG A 91 5.753 4.474 5.535 1.00 0.00 N ATOM 1440 NH2 ARG A 91 7.171 2.952 6.414 1.00 0.00 N ATOM 0 H ARG A 91 1.619 2.536 2.678 1.00 0.00 H new ATOM 0 HA ARG A 91 4.284 1.380 3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.772 1.320 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.371 0.823 5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.021 3.289 4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.336 3.600 4.720 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.380 4.089 6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.853 2.436 7.033 1.00 0.00 H new ATOM 0 HE ARG A 91 5.135 1.785 7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.804 4.805 5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.550 5.009 5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.338 2.089 6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.959 3.497 6.063 1.00 0.00 H new ATOM 1454 N PHE A 92 3.813 -0.952 2.237 1.00 0.00 N ATOM 1455 CA PHE A 92 3.564 -2.380 1.883 1.00 0.00 C ATOM 1456 C PHE A 92 4.057 -3.273 3.025 1.00 0.00 C ATOM 1457 O PHE A 92 5.170 -3.136 3.494 1.00 0.00 O ATOM 1458 CB PHE A 92 4.319 -2.721 0.588 1.00 0.00 C ATOM 1459 CG PHE A 92 3.333 -3.031 -0.515 1.00 0.00 C ATOM 1460 CD1 PHE A 92 2.483 -2.027 -0.994 1.00 0.00 C ATOM 1461 CD2 PHE A 92 3.270 -4.319 -1.057 1.00 0.00 C ATOM 1462 CE1 PHE A 92 1.569 -2.311 -2.014 1.00 0.00 C ATOM 1463 CE2 PHE A 92 2.354 -4.604 -2.079 1.00 0.00 C ATOM 1464 CZ PHE A 92 1.505 -3.599 -2.556 1.00 0.00 C ATOM 0 H PHE A 92 4.733 -0.596 1.976 1.00 0.00 H new ATOM 0 HA PHE A 92 2.498 -2.545 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.954 -1.885 0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.974 -3.576 0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.533 -1.033 -0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.927 -5.093 -0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.913 -1.536 -2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.303 -5.598 -2.498 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.799 -3.818 -3.344 1.00 0.00 H new ATOM 1474 N ILE A 93 3.230 -4.181 3.477 1.00 0.00 N ATOM 1475 CA ILE A 93 3.638 -5.086 4.592 1.00 0.00 C ATOM 1476 C ILE A 93 4.843 -5.929 4.155 1.00 0.00 C ATOM 1477 O ILE A 93 5.656 -6.331 4.966 1.00 0.00 O ATOM 1478 CB ILE A 93 2.456 -5.995 4.960 1.00 0.00 C ATOM 1479 CG1 ILE A 93 2.848 -6.901 6.133 1.00 0.00 C ATOM 1480 CG2 ILE A 93 2.063 -6.858 3.756 1.00 0.00 C ATOM 1481 CD1 ILE A 93 3.089 -6.046 7.380 1.00 0.00 C ATOM 0 H ILE A 93 2.287 -4.334 3.120 1.00 0.00 H new ATOM 0 HA ILE A 93 3.921 -4.497 5.464 1.00 0.00 H new ATOM 0 HB ILE A 93 1.607 -5.374 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.059 -7.628 6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.748 -7.465 5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.224 -7.499 4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.774 -6.214 2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.911 -7.475 3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.368 -6.690 8.214 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.893 -5.336 7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.178 -5.502 7.630 1.00 0.00 H new