USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -163:sc= 0.0537 USER MOD Single : A 22 THR OG1 : rot -81:sc= 0.0822 USER MOD Single : A 27 SER OG : rot 25:sc= 0.65! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -15:sc= -0.0442 USER MOD Single : A 38 GLN : amide:sc= -0.715 K(o=-0.71,f=-1.7) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 49 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.13) USER MOD Single : A 50 ASN : amide:sc= -0.958 X(o=-0.96,f=-0.58) USER MOD Single : A 58 HIS : no HD1:sc= -2.19! C(o=-2.2!,f=-6.5!) USER MOD Single : A 59 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.34) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.447 11.443 1.319 1.00 0.00 N ATOM 82 CA PRO A 9 -0.472 9.994 1.102 1.00 0.00 C ATOM 83 C PRO A 9 -0.938 9.626 -0.303 1.00 0.00 C ATOM 84 O PRO A 9 -1.679 10.377 -0.938 1.00 0.00 O ATOM 85 CB PRO A 9 -1.475 9.495 2.145 1.00 0.00 C ATOM 86 CG PRO A 9 -2.362 10.663 2.406 1.00 0.00 C ATOM 87 CD PRO A 9 -1.496 11.883 2.255 1.00 0.00 C ATOM 0 HA PRO A 9 0.519 9.551 1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.043 8.642 1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.971 9.169 3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.194 10.686 1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.792 10.611 3.406 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.059 12.729 1.859 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.076 12.198 3.210 1.00 0.00 H new ATOM 95 N ILE A 10 -0.500 8.466 -0.782 1.00 0.00 N ATOM 96 CA ILE A 10 -0.874 7.999 -2.111 1.00 0.00 C ATOM 97 C ILE A 10 -1.881 6.856 -2.029 1.00 0.00 C ATOM 98 O ILE A 10 -1.591 5.801 -1.466 1.00 0.00 O ATOM 99 CB ILE A 10 0.356 7.529 -2.909 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.404 8.641 -2.975 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.055 7.097 -4.309 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.765 8.163 -3.432 1.00 0.00 C ATOM 0 H ILE A 10 0.114 7.833 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.329 8.845 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 10 0.796 6.672 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.054 9.419 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.500 9.097 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.825 6.767 -4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.769 6.277 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.516 7.937 -4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.457 9.005 -3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.136 7.407 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.683 7.733 -4.430 1.00 0.00 H new ATOM 114 N GLU A 11 -3.063 7.074 -2.596 1.00 0.00 N ATOM 115 CA GLU A 11 -4.112 6.061 -2.587 1.00 0.00 C ATOM 116 C GLU A 11 -3.825 4.972 -3.617 1.00 0.00 C ATOM 117 O GLU A 11 -3.687 5.251 -4.808 1.00 0.00 O ATOM 118 CB GLU A 11 -5.472 6.702 -2.871 1.00 0.00 C ATOM 119 CG GLU A 11 -6.115 7.334 -1.648 1.00 0.00 C ATOM 120 CD GLU A 11 -6.997 8.517 -1.998 1.00 0.00 C ATOM 121 OE1 GLU A 11 -7.950 8.332 -2.784 1.00 0.00 O ATOM 122 OE2 GLU A 11 -6.736 9.625 -1.487 1.00 0.00 O ATOM 0 H GLU A 11 -3.318 7.942 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.133 5.604 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.351 7.463 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.144 5.944 -3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.710 6.584 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.335 7.658 -0.959 1.00 0.00 H new ATOM 129 N ALA A 12 -3.737 3.732 -3.148 1.00 0.00 N ATOM 130 CA ALA A 12 -3.468 2.601 -4.028 1.00 0.00 C ATOM 131 C ALA A 12 -4.575 1.556 -3.932 1.00 0.00 C ATOM 132 O ALA A 12 -5.478 1.670 -3.103 1.00 0.00 O ATOM 133 CB ALA A 12 -2.121 1.978 -3.690 1.00 0.00 C ATOM 0 H ALA A 12 -3.848 3.485 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.439 2.969 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.933 1.135 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.334 2.722 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.130 1.631 -2.657 1.00 0.00 H new ATOM 139 N ILE A 13 -4.498 0.540 -4.785 1.00 0.00 N ATOM 140 CA ILE A 13 -5.494 -0.525 -4.795 1.00 0.00 C ATOM 141 C ILE A 13 -4.831 -1.897 -4.767 1.00 0.00 C ATOM 142 O ILE A 13 -3.828 -2.128 -5.443 1.00 0.00 O ATOM 143 CB ILE A 13 -6.404 -0.432 -6.034 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.137 0.911 -6.056 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.398 -1.584 -6.048 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.066 1.112 -4.879 1.00 0.00 C ATOM 0 H ILE A 13 -3.757 0.432 -5.478 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.101 -0.399 -3.898 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.784 -0.501 -6.928 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.403 1.716 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.712 0.987 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.034 -1.505 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.858 -2.530 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.015 -1.543 -5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.551 2.085 -4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.823 0.328 -4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.494 1.069 -3.952 1.00 0.00 H new ATOM 158 N ALA A 14 -5.398 -2.807 -3.981 1.00 0.00 N ATOM 159 CA ALA A 14 -4.865 -4.158 -3.868 1.00 0.00 C ATOM 160 C ALA A 14 -4.976 -4.905 -5.192 1.00 0.00 C ATOM 161 O ALA A 14 -6.066 -5.047 -5.748 1.00 0.00 O ATOM 162 CB ALA A 14 -5.588 -4.921 -2.767 1.00 0.00 C ATOM 0 H ALA A 14 -6.227 -2.632 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.808 -4.084 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.179 -5.929 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.452 -4.405 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.651 -4.977 -3.001 1.00 0.00 H new ATOM 168 N LYS A 15 -3.842 -5.381 -5.695 1.00 0.00 N ATOM 169 CA LYS A 15 -3.811 -6.115 -6.955 1.00 0.00 C ATOM 170 C LYS A 15 -4.312 -7.543 -6.765 1.00 0.00 C ATOM 171 O LYS A 15 -5.003 -8.088 -7.627 1.00 0.00 O ATOM 172 CB LYS A 15 -2.390 -6.133 -7.523 1.00 0.00 C ATOM 173 CG LYS A 15 -2.092 -4.971 -8.454 1.00 0.00 C ATOM 174 CD LYS A 15 -1.028 -5.334 -9.477 1.00 0.00 C ATOM 175 CE LYS A 15 -1.609 -6.158 -10.615 1.00 0.00 C ATOM 176 NZ LYS A 15 -0.551 -6.647 -11.542 1.00 0.00 N ATOM 0 H LYS A 15 -2.931 -5.272 -5.249 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.471 -5.608 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.678 -6.118 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.235 -7.068 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.005 -4.672 -8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.759 -4.112 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.580 -4.424 -9.877 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.230 -5.895 -8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.155 -7.008 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.328 -5.555 -11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.987 -7.204 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.047 -5.835 -11.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.121 -7.243 -11.018 1.00 0.00 H new ATOM 190 N PHE A 16 -3.962 -8.143 -5.632 1.00 0.00 N ATOM 191 CA PHE A 16 -4.378 -9.507 -5.330 1.00 0.00 C ATOM 192 C PHE A 16 -4.502 -9.717 -3.824 1.00 0.00 C ATOM 193 O PHE A 16 -3.794 -9.086 -3.038 1.00 0.00 O ATOM 194 CB PHE A 16 -3.380 -10.508 -5.916 1.00 0.00 C ATOM 195 CG PHE A 16 -2.774 -10.061 -7.215 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.447 -10.253 -8.411 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.532 -9.447 -7.240 1.00 0.00 C ATOM 198 CE1 PHE A 16 -2.891 -9.843 -9.608 1.00 0.00 C ATOM 199 CE2 PHE A 16 -0.972 -9.034 -8.435 1.00 0.00 C ATOM 200 CZ PHE A 16 -1.653 -9.231 -9.620 1.00 0.00 C ATOM 0 H PHE A 16 -3.391 -7.706 -4.908 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.356 -9.671 -5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.583 -10.680 -5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.883 -11.463 -6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.417 -10.728 -8.408 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.995 -9.289 -6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.424 -10.001 -10.534 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.003 -8.558 -8.441 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.218 -8.907 -10.554 1.00 0.00 H new ATOM 210 N ASP A 17 -5.405 -10.607 -3.429 1.00 0.00 N ATOM 211 CA ASP A 17 -5.622 -10.902 -2.017 1.00 0.00 C ATOM 212 C ASP A 17 -4.315 -11.297 -1.337 1.00 0.00 C ATOM 213 O ASP A 17 -3.814 -12.405 -1.530 1.00 0.00 O ATOM 214 CB ASP A 17 -6.652 -12.021 -1.860 1.00 0.00 C ATOM 215 CG ASP A 17 -6.455 -13.135 -2.870 1.00 0.00 C ATOM 216 OD1 ASP A 17 -6.968 -13.007 -4.001 1.00 0.00 O ATOM 217 OD2 ASP A 17 -5.789 -14.135 -2.528 1.00 0.00 O ATOM 0 H ASP A 17 -5.999 -11.137 -4.067 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.002 -10.000 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.587 -12.432 -0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.654 -11.607 -1.971 1.00 0.00 H new ATOM 222 N TYR A 18 -3.767 -10.384 -0.543 1.00 0.00 N ATOM 223 CA TYR A 18 -2.516 -10.636 0.163 1.00 0.00 C ATOM 224 C TYR A 18 -2.754 -10.764 1.664 1.00 0.00 C ATOM 225 O TYR A 18 -3.735 -10.243 2.196 1.00 0.00 O ATOM 226 CB TYR A 18 -1.516 -9.513 -0.113 1.00 0.00 C ATOM 227 CG TYR A 18 -0.111 -9.826 0.351 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.781 -10.499 -0.475 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.324 -9.449 1.615 1.00 0.00 C ATOM 230 CE1 TYR A 18 2.065 -10.788 -0.055 1.00 0.00 C ATOM 231 CE2 TYR A 18 1.607 -9.732 2.043 1.00 0.00 C ATOM 232 CZ TYR A 18 2.473 -10.402 1.204 1.00 0.00 C ATOM 233 OH TYR A 18 3.751 -10.687 1.627 1.00 0.00 O ATOM 0 H TYR A 18 -4.169 -9.462 -0.372 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.105 -11.577 -0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.499 -9.308 -1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.858 -8.603 0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.465 -10.801 -1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.352 -8.926 2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.745 -11.313 -0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.930 -9.430 3.029 1.00 0.00 H new ATOM 0 HH TYR A 18 3.798 -10.607 2.603 1.00 0.00 H new ATOM 243 N VAL A 19 -1.848 -11.460 2.343 1.00 0.00 N ATOM 244 CA VAL A 19 -1.956 -11.656 3.784 1.00 0.00 C ATOM 245 C VAL A 19 -0.613 -11.436 4.471 1.00 0.00 C ATOM 246 O VAL A 19 0.343 -12.174 4.237 1.00 0.00 O ATOM 247 CB VAL A 19 -2.469 -13.069 4.122 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.516 -14.125 3.583 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.655 -13.223 5.624 1.00 0.00 C ATOM 0 H VAL A 19 -1.031 -11.898 1.918 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.672 -10.921 4.150 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.438 -13.210 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.894 -15.117 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.438 -14.026 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.532 -13.989 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.018 -14.227 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.701 -13.063 6.127 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.379 -12.490 5.978 1.00 0.00 H new ATOM 259 N GLY A 20 -0.549 -10.416 5.321 1.00 0.00 N ATOM 260 CA GLY A 20 0.682 -10.118 6.030 1.00 0.00 C ATOM 261 C GLY A 20 1.236 -11.324 6.762 1.00 0.00 C ATOM 262 O GLY A 20 0.754 -11.681 7.837 1.00 0.00 O ATOM 0 H GLY A 20 -1.327 -9.791 5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.426 -9.753 5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.501 -9.315 6.744 1.00 0.00 H new ATOM 266 N ARG A 21 2.250 -11.954 6.179 1.00 0.00 N ATOM 267 CA ARG A 21 2.869 -13.128 6.782 1.00 0.00 C ATOM 268 C ARG A 21 3.314 -12.835 8.211 1.00 0.00 C ATOM 269 O ARG A 21 3.204 -13.686 9.095 1.00 0.00 O ATOM 270 CB ARG A 21 4.066 -13.585 5.947 1.00 0.00 C ATOM 271 CG ARG A 21 3.696 -14.533 4.817 1.00 0.00 C ATOM 272 CD ARG A 21 4.926 -15.000 4.055 1.00 0.00 C ATOM 273 NE ARG A 21 5.611 -13.894 3.391 1.00 0.00 N ATOM 274 CZ ARG A 21 6.465 -14.056 2.386 1.00 0.00 C ATOM 275 NH1 ARG A 21 6.737 -15.272 1.933 1.00 0.00 N ATOM 276 NH2 ARG A 21 7.048 -13.000 1.833 1.00 0.00 N ATOM 0 H ARG A 21 2.661 -11.671 5.289 1.00 0.00 H new ATOM 0 HA ARG A 21 2.127 -13.926 6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.561 -12.709 5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.787 -14.076 6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.169 -15.396 5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.010 -14.034 4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.614 -15.492 4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.633 -15.742 3.313 1.00 0.00 H new ATOM 0 HE ARG A 21 5.424 -12.946 3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.290 -16.086 2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.393 -15.394 1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.841 -12.063 2.179 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.703 -13.125 1.062 1.00 0.00 H new ATOM 290 N THR A 22 3.818 -11.625 8.432 1.00 0.00 N ATOM 291 CA THR A 22 4.281 -11.220 9.753 1.00 0.00 C ATOM 292 C THR A 22 3.516 -10.000 10.254 1.00 0.00 C ATOM 293 O THR A 22 2.775 -9.368 9.502 1.00 0.00 O ATOM 294 CB THR A 22 5.788 -10.899 9.746 1.00 0.00 C ATOM 295 OG1 THR A 22 6.047 -9.780 8.891 1.00 0.00 O ATOM 296 CG2 THR A 22 6.595 -12.100 9.277 1.00 0.00 C ATOM 0 H THR A 22 3.916 -10.908 7.713 1.00 0.00 H new ATOM 0 HA THR A 22 4.099 -12.060 10.423 1.00 0.00 H new ATOM 0 HB THR A 22 6.089 -10.654 10.765 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.090 -10.083 7.960 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.656 -11.849 9.280 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.419 -12.941 9.948 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.290 -12.371 8.266 1.00 0.00 H new ATOM 304 N ALA A 23 3.702 -9.673 11.529 1.00 0.00 N ATOM 305 CA ALA A 23 3.031 -8.527 12.129 1.00 0.00 C ATOM 306 C ALA A 23 3.312 -7.252 11.341 1.00 0.00 C ATOM 307 O ALA A 23 2.414 -6.440 11.114 1.00 0.00 O ATOM 308 CB ALA A 23 3.464 -8.361 13.578 1.00 0.00 C ATOM 0 H ALA A 23 4.312 -10.186 12.166 1.00 0.00 H new ATOM 0 HA ALA A 23 1.957 -8.711 12.101 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.955 -7.501 14.014 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.206 -9.259 14.140 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.542 -8.204 13.620 1.00 0.00 H new ATOM 314 N ARG A 24 4.563 -7.081 10.928 1.00 0.00 N ATOM 315 CA ARG A 24 4.962 -5.903 10.167 1.00 0.00 C ATOM 316 C ARG A 24 4.107 -5.751 8.912 1.00 0.00 C ATOM 317 O ARG A 24 3.570 -4.677 8.642 1.00 0.00 O ATOM 318 CB ARG A 24 6.440 -5.995 9.782 1.00 0.00 C ATOM 319 CG ARG A 24 7.385 -5.531 10.878 1.00 0.00 C ATOM 320 CD ARG A 24 8.724 -5.087 10.309 1.00 0.00 C ATOM 321 NE ARG A 24 9.776 -5.087 11.321 1.00 0.00 N ATOM 322 CZ ARG A 24 10.875 -4.346 11.239 1.00 0.00 C ATOM 323 NH1 ARG A 24 11.065 -3.550 10.196 1.00 0.00 N ATOM 324 NH2 ARG A 24 11.787 -4.401 12.201 1.00 0.00 N ATOM 0 H ARG A 24 5.318 -7.743 11.107 1.00 0.00 H new ATOM 0 HA ARG A 24 4.811 -5.026 10.797 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.676 -7.027 9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.612 -5.396 8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.930 -4.706 11.427 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.542 -6.340 11.591 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.008 -5.749 9.491 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.625 -4.086 9.889 1.00 0.00 H new ATOM 0 HE ARG A 24 9.661 -5.689 12.136 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.366 -3.506 9.454 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.910 -2.982 10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.644 -5.013 13.005 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.631 -3.831 12.137 1.00 0.00 H new ATOM 338 N GLU A 25 3.987 -6.833 8.149 1.00 0.00 N ATOM 339 CA GLU A 25 3.199 -6.819 6.923 1.00 0.00 C ATOM 340 C GLU A 25 1.717 -6.627 7.231 1.00 0.00 C ATOM 341 O GLU A 25 1.286 -6.764 8.377 1.00 0.00 O ATOM 342 CB GLU A 25 3.405 -8.119 6.142 1.00 0.00 C ATOM 343 CG GLU A 25 4.824 -8.303 5.631 1.00 0.00 C ATOM 344 CD GLU A 25 5.166 -9.758 5.372 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.310 -10.478 4.817 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.289 -10.175 5.724 1.00 0.00 O ATOM 0 H GLU A 25 4.425 -7.730 8.359 1.00 0.00 H new ATOM 0 HA GLU A 25 3.537 -5.981 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.146 -8.962 6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.718 -8.138 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.951 -7.734 4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.524 -7.893 6.358 1.00 0.00 H new ATOM 353 N LEU A 26 0.941 -6.308 6.200 1.00 0.00 N ATOM 354 CA LEU A 26 -0.494 -6.096 6.360 1.00 0.00 C ATOM 355 C LEU A 26 -1.287 -7.045 5.467 1.00 0.00 C ATOM 356 O LEU A 26 -0.924 -7.277 4.313 1.00 0.00 O ATOM 357 CB LEU A 26 -0.855 -4.647 6.031 1.00 0.00 C ATOM 358 CG LEU A 26 -0.052 -3.572 6.765 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.415 -2.189 6.248 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.289 -3.661 8.265 1.00 0.00 C ATOM 0 H LEU A 26 1.281 -6.191 5.246 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.753 -6.302 7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.730 -4.497 4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.912 -4.498 6.253 1.00 0.00 H new ATOM 0 HG LEU A 26 1.007 -3.743 6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.166 -1.437 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.194 -2.129 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.478 -2.008 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.290 -2.889 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.349 -3.516 8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.022 -4.642 8.625 1.00 0.00 H new ATOM 372 N SER A 27 -2.372 -7.590 6.007 1.00 0.00 N ATOM 373 CA SER A 27 -3.216 -8.515 5.260 1.00 0.00 C ATOM 374 C SER A 27 -4.434 -7.797 4.687 1.00 0.00 C ATOM 375 O SER A 27 -5.222 -7.203 5.423 1.00 0.00 O ATOM 376 CB SER A 27 -3.665 -9.668 6.159 1.00 0.00 C ATOM 377 OG SER A 27 -4.613 -9.229 7.116 1.00 0.00 O ATOM 0 H SER A 27 -2.687 -7.407 6.960 1.00 0.00 H new ATOM 0 HA SER A 27 -2.630 -8.916 4.433 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.099 -10.461 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.801 -10.094 6.668 1.00 0.00 H new ATOM 0 HG SER A 27 -5.074 -8.433 6.778 1.00 0.00 H new ATOM 383 N PHE A 28 -4.581 -7.857 3.367 1.00 0.00 N ATOM 384 CA PHE A 28 -5.702 -7.212 2.693 1.00 0.00 C ATOM 385 C PHE A 28 -6.293 -8.127 1.625 1.00 0.00 C ATOM 386 O PHE A 28 -5.759 -9.200 1.345 1.00 0.00 O ATOM 387 CB PHE A 28 -5.254 -5.893 2.061 1.00 0.00 C ATOM 388 CG PHE A 28 -3.979 -6.008 1.275 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.975 -6.592 0.019 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.786 -5.531 1.792 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.803 -6.699 -0.707 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.612 -5.635 1.071 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.620 -6.221 -0.180 1.00 0.00 C ATOM 0 H PHE A 28 -3.938 -8.345 2.744 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.472 -7.007 3.437 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.044 -5.527 1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.121 -5.149 2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.898 -6.968 -0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.773 -5.073 2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.813 -7.156 -1.685 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.688 -5.258 1.485 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.703 -6.305 -0.744 1.00 0.00 H new ATOM 403 N LYS A 29 -7.400 -7.694 1.031 1.00 0.00 N ATOM 404 CA LYS A 29 -8.066 -8.472 -0.008 1.00 0.00 C ATOM 405 C LYS A 29 -8.145 -7.683 -1.311 1.00 0.00 C ATOM 406 O LYS A 29 -8.432 -6.486 -1.308 1.00 0.00 O ATOM 407 CB LYS A 29 -9.472 -8.870 0.446 1.00 0.00 C ATOM 408 CG LYS A 29 -9.484 -9.961 1.503 1.00 0.00 C ATOM 409 CD LYS A 29 -9.355 -11.341 0.880 1.00 0.00 C ATOM 410 CE LYS A 29 -10.689 -11.836 0.341 1.00 0.00 C ATOM 411 NZ LYS A 29 -10.553 -13.143 -0.360 1.00 0.00 N ATOM 0 H LYS A 29 -7.855 -6.808 1.251 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.480 -9.374 -0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.981 -7.990 0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.042 -9.208 -0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.665 -9.799 2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.410 -9.904 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.624 -11.310 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.979 -12.043 1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.398 -11.937 1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.100 -11.096 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.483 -13.446 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.896 -13.041 -1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.185 -13.855 0.302 1.00 0.00 H new ATOM 425 N LYS A 30 -7.891 -8.362 -2.425 1.00 0.00 N ATOM 426 CA LYS A 30 -7.936 -7.727 -3.736 1.00 0.00 C ATOM 427 C LYS A 30 -9.048 -6.684 -3.798 1.00 0.00 C ATOM 428 O LYS A 30 -10.171 -6.935 -3.364 1.00 0.00 O ATOM 429 CB LYS A 30 -8.146 -8.778 -4.828 1.00 0.00 C ATOM 430 CG LYS A 30 -8.231 -8.193 -6.227 1.00 0.00 C ATOM 431 CD LYS A 30 -8.122 -9.273 -7.291 1.00 0.00 C ATOM 432 CE LYS A 30 -8.051 -8.675 -8.687 1.00 0.00 C ATOM 433 NZ LYS A 30 -9.375 -8.169 -9.142 1.00 0.00 N ATOM 0 H LYS A 30 -7.652 -9.353 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.982 -7.226 -3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.326 -9.495 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.062 -9.330 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.175 -7.661 -6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.434 -7.462 -6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.234 -9.878 -7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.981 -9.940 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.328 -7.859 -8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.690 -9.429 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.284 -7.769 -10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.059 -8.952 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.708 -7.432 -8.489 1.00 0.00 H new ATOM 447 N GLY A 31 -8.727 -5.514 -4.342 1.00 0.00 N ATOM 448 CA GLY A 31 -9.710 -4.453 -4.451 1.00 0.00 C ATOM 449 C GLY A 31 -9.676 -3.506 -3.268 1.00 0.00 C ATOM 450 O GLY A 31 -9.851 -2.298 -3.426 1.00 0.00 O ATOM 0 H GLY A 31 -7.804 -5.283 -4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.533 -3.891 -5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.705 -4.891 -4.533 1.00 0.00 H new ATOM 454 N ALA A 32 -9.450 -4.055 -2.079 1.00 0.00 N ATOM 455 CA ALA A 32 -9.393 -3.250 -0.865 1.00 0.00 C ATOM 456 C ALA A 32 -8.450 -2.064 -1.036 1.00 0.00 C ATOM 457 O ALA A 32 -7.274 -2.236 -1.357 1.00 0.00 O ATOM 458 CB ALA A 32 -8.958 -4.107 0.315 1.00 0.00 C ATOM 0 H ALA A 32 -9.303 -5.053 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.392 -2.860 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.919 -3.494 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.672 -4.918 0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.970 -4.524 0.117 1.00 0.00 H new ATOM 464 N SER A 33 -8.974 -0.862 -0.821 1.00 0.00 N ATOM 465 CA SER A 33 -8.179 0.353 -0.957 1.00 0.00 C ATOM 466 C SER A 33 -7.155 0.461 0.169 1.00 0.00 C ATOM 467 O SER A 33 -7.462 0.191 1.331 1.00 0.00 O ATOM 468 CB SER A 33 -9.087 1.585 -0.955 1.00 0.00 C ATOM 469 OG SER A 33 -8.332 2.775 -0.816 1.00 0.00 O ATOM 0 H SER A 33 -9.945 -0.703 -0.552 1.00 0.00 H new ATOM 0 HA SER A 33 -7.646 0.304 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.659 1.620 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.806 1.509 -0.139 1.00 0.00 H new ATOM 0 HG SER A 33 -8.935 3.547 -0.819 1.00 0.00 H new ATOM 475 N LEU A 34 -5.937 0.857 -0.183 1.00 0.00 N ATOM 476 CA LEU A 34 -4.866 1.001 0.796 1.00 0.00 C ATOM 477 C LEU A 34 -4.191 2.363 0.669 1.00 0.00 C ATOM 478 O LEU A 34 -4.013 2.879 -0.435 1.00 0.00 O ATOM 479 CB LEU A 34 -3.832 -0.112 0.618 1.00 0.00 C ATOM 480 CG LEU A 34 -4.382 -1.538 0.563 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.460 -2.436 -0.246 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.570 -2.091 1.969 1.00 0.00 C ATOM 0 H LEU A 34 -5.666 1.084 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.305 0.925 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.278 0.078 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.117 -0.051 1.439 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.354 -1.513 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.868 -3.446 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.376 -2.051 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.473 -2.456 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.962 -3.106 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.611 -2.101 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.272 -1.462 2.517 1.00 0.00 H new ATOM 494 N LEU A 35 -3.816 2.939 1.805 1.00 0.00 N ATOM 495 CA LEU A 35 -3.158 4.241 1.822 1.00 0.00 C ATOM 496 C LEU A 35 -1.644 4.085 1.924 1.00 0.00 C ATOM 497 O LEU A 35 -1.145 3.225 2.651 1.00 0.00 O ATOM 498 CB LEU A 35 -3.675 5.082 2.991 1.00 0.00 C ATOM 499 CG LEU A 35 -3.700 6.595 2.770 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.840 6.980 1.840 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.823 7.325 4.100 1.00 0.00 C ATOM 0 H LEU A 35 -3.956 2.525 2.727 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.391 4.749 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.686 4.753 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.057 4.873 3.864 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.762 6.891 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.842 8.060 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.708 6.485 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.788 6.672 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.839 8.401 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.746 7.024 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.972 7.074 4.733 1.00 0.00 H new ATOM 513 N LEU A 36 -0.917 4.923 1.192 1.00 0.00 N ATOM 514 CA LEU A 36 0.541 4.880 1.202 1.00 0.00 C ATOM 515 C LEU A 36 1.121 6.197 1.707 1.00 0.00 C ATOM 516 O LEU A 36 0.632 7.274 1.366 1.00 0.00 O ATOM 517 CB LEU A 36 1.071 4.581 -0.201 1.00 0.00 C ATOM 518 CG LEU A 36 0.473 3.359 -0.899 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.155 3.120 -2.237 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.590 2.128 -0.011 1.00 0.00 C ATOM 0 H LEU A 36 -1.314 5.640 0.584 1.00 0.00 H new ATOM 0 HA LEU A 36 0.852 4.084 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.895 5.455 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.151 4.446 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.584 3.551 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.716 2.246 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.019 3.993 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.220 2.949 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.159 1.268 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.641 1.934 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.054 2.300 0.922 1.00 0.00 H new ATOM 532 N TYR A 37 2.167 6.103 2.520 1.00 0.00 N ATOM 533 CA TYR A 37 2.814 7.287 3.073 1.00 0.00 C ATOM 534 C TYR A 37 4.218 7.458 2.500 1.00 0.00 C ATOM 535 O TYR A 37 4.604 8.553 2.092 1.00 0.00 O ATOM 536 CB TYR A 37 2.882 7.191 4.598 1.00 0.00 C ATOM 537 CG TYR A 37 1.527 7.076 5.259 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.491 7.937 4.917 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.283 6.107 6.224 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.749 7.835 5.518 1.00 0.00 C ATOM 541 CE2 TYR A 37 0.046 5.997 6.829 1.00 0.00 C ATOM 542 CZ TYR A 37 -0.967 6.864 6.473 1.00 0.00 C ATOM 543 OH TYR A 37 -2.200 6.759 7.075 1.00 0.00 O ATOM 0 H TYR A 37 2.585 5.219 2.811 1.00 0.00 H new ATOM 0 HA TYR A 37 2.219 8.158 2.796 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.485 6.326 4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.393 8.072 4.987 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.658 8.698 4.169 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.074 5.428 6.506 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.544 8.512 5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.127 5.237 7.576 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.719 7.572 6.901 1.00 0.00 H new ATOM 553 N GLN A 38 4.976 6.366 2.473 1.00 0.00 N ATOM 554 CA GLN A 38 6.337 6.395 1.951 1.00 0.00 C ATOM 555 C GLN A 38 6.766 5.011 1.473 1.00 0.00 C ATOM 556 O GLN A 38 6.320 3.994 2.005 1.00 0.00 O ATOM 557 CB GLN A 38 7.306 6.901 3.020 1.00 0.00 C ATOM 558 CG GLN A 38 7.491 8.410 3.008 1.00 0.00 C ATOM 559 CD GLN A 38 7.857 8.943 1.637 1.00 0.00 C ATOM 560 OE1 GLN A 38 8.409 8.222 0.806 1.00 0.00 O ATOM 561 NE2 GLN A 38 7.551 10.212 1.394 1.00 0.00 N ATOM 0 H GLN A 38 4.671 5.451 2.806 1.00 0.00 H new ATOM 0 HA GLN A 38 6.358 7.076 1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.943 6.596 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.275 6.423 2.876 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.571 8.888 3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.271 8.682 3.719 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.093 10.773 2.113 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.773 10.626 0.489 1.00 0.00 H new ATOM 570 N ARG A 39 7.633 4.980 0.467 1.00 0.00 N ATOM 571 CA ARG A 39 8.121 3.721 -0.083 1.00 0.00 C ATOM 572 C ARG A 39 9.228 3.138 0.791 1.00 0.00 C ATOM 573 O ARG A 39 10.389 3.530 0.682 1.00 0.00 O ATOM 574 CB ARG A 39 8.638 3.929 -1.508 1.00 0.00 C ATOM 575 CG ARG A 39 9.193 2.665 -2.145 1.00 0.00 C ATOM 576 CD ARG A 39 8.111 1.893 -2.883 1.00 0.00 C ATOM 577 NE ARG A 39 8.670 0.986 -3.882 1.00 0.00 N ATOM 578 CZ ARG A 39 9.152 1.388 -5.053 1.00 0.00 C ATOM 579 NH1 ARG A 39 9.142 2.675 -5.370 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.644 0.502 -5.909 1.00 0.00 N ATOM 0 H ARG A 39 8.012 5.812 0.016 1.00 0.00 H new ATOM 0 HA ARG A 39 7.290 3.016 -0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.827 4.312 -2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.417 4.691 -1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.992 2.926 -2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.633 2.031 -1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.520 1.323 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.433 2.594 -3.369 1.00 0.00 H new ATOM 0 HE ARG A 39 8.692 -0.011 -3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.764 3.359 -4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.513 2.982 -6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.653 -0.489 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.014 0.812 -6.808 1.00 0.00 H new ATOM 594 N ALA A 40 8.858 2.202 1.658 1.00 0.00 N ATOM 595 CA ALA A 40 9.819 1.564 2.550 1.00 0.00 C ATOM 596 C ALA A 40 10.984 0.969 1.766 1.00 0.00 C ATOM 597 O ALA A 40 12.132 1.021 2.207 1.00 0.00 O ATOM 598 CB ALA A 40 9.135 0.489 3.381 1.00 0.00 C ATOM 0 H ALA A 40 7.900 1.868 1.762 1.00 0.00 H new ATOM 0 HA ALA A 40 10.218 2.326 3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.864 0.021 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.341 0.940 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.708 -0.265 2.720 1.00 0.00 H new ATOM 604 N SER A 41 10.681 0.403 0.602 1.00 0.00 N ATOM 605 CA SER A 41 11.703 -0.206 -0.241 1.00 0.00 C ATOM 606 C SER A 41 11.194 -0.386 -1.668 1.00 0.00 C ATOM 607 O SER A 41 10.021 -0.146 -1.955 1.00 0.00 O ATOM 608 CB SER A 41 12.129 -1.558 0.335 1.00 0.00 C ATOM 609 OG SER A 41 13.323 -2.018 -0.274 1.00 0.00 O ATOM 0 H SER A 41 9.736 0.354 0.221 1.00 0.00 H new ATOM 0 HA SER A 41 12.566 0.460 -0.263 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.277 -1.468 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.334 -2.288 0.183 1.00 0.00 H new ATOM 0 HG SER A 41 13.575 -2.883 0.112 1.00 0.00 H new ATOM 615 N ASP A 42 12.084 -0.809 -2.557 1.00 0.00 N ATOM 616 CA ASP A 42 11.727 -1.023 -3.955 1.00 0.00 C ATOM 617 C ASP A 42 10.687 -2.131 -4.087 1.00 0.00 C ATOM 618 O ASP A 42 10.045 -2.274 -5.128 1.00 0.00 O ATOM 619 CB ASP A 42 12.970 -1.373 -4.774 1.00 0.00 C ATOM 620 CG ASP A 42 13.914 -2.296 -4.028 1.00 0.00 C ATOM 621 OD1 ASP A 42 13.691 -3.524 -4.059 1.00 0.00 O ATOM 622 OD2 ASP A 42 14.876 -1.789 -3.414 1.00 0.00 O ATOM 0 H ASP A 42 13.059 -1.011 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 42 11.297 -0.098 -4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.665 -1.847 -5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.497 -0.456 -5.039 1.00 0.00 H new ATOM 627 N ASP A 43 10.527 -2.914 -3.025 1.00 0.00 N ATOM 628 CA ASP A 43 9.565 -4.010 -3.022 1.00 0.00 C ATOM 629 C ASP A 43 8.690 -3.962 -1.774 1.00 0.00 C ATOM 630 O ASP A 43 8.145 -4.979 -1.345 1.00 0.00 O ATOM 631 CB ASP A 43 10.291 -5.354 -3.099 1.00 0.00 C ATOM 632 CG ASP A 43 10.580 -5.776 -4.526 1.00 0.00 C ATOM 633 OD1 ASP A 43 9.683 -5.625 -5.382 1.00 0.00 O ATOM 634 OD2 ASP A 43 11.703 -6.257 -4.787 1.00 0.00 O ATOM 0 H ASP A 43 11.051 -2.810 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 43 8.925 -3.901 -3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.228 -5.290 -2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.686 -6.119 -2.613 1.00 0.00 H new ATOM 639 N TRP A 44 8.561 -2.774 -1.194 1.00 0.00 N ATOM 640 CA TRP A 44 7.752 -2.593 0.006 1.00 0.00 C ATOM 641 C TRP A 44 7.271 -1.151 0.126 1.00 0.00 C ATOM 642 O TRP A 44 7.820 -0.249 -0.507 1.00 0.00 O ATOM 643 CB TRP A 44 8.555 -2.980 1.249 1.00 0.00 C ATOM 644 CG TRP A 44 8.826 -4.451 1.347 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.042 -5.067 1.268 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.859 -5.489 1.539 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.889 -6.427 1.400 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.560 -6.711 1.568 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.470 -5.506 1.692 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.917 -7.934 1.743 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.833 -6.721 1.865 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.557 -7.921 1.890 1.00 0.00 C ATOM 0 H TRP A 44 9.006 -1.922 -1.535 1.00 0.00 H new ATOM 0 HA TRP A 44 6.880 -3.242 -0.072 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.503 -2.443 1.242 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.013 -2.658 2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 44 10.985 -4.561 1.123 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.643 -7.113 1.377 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.904 -4.586 1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.473 -8.860 1.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.760 -6.746 1.983 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.031 -8.854 2.028 1.00 0.00 H new ATOM 663 N TRP A 45 6.243 -0.941 0.941 1.00 0.00 N ATOM 664 CA TRP A 45 5.688 0.393 1.143 1.00 0.00 C ATOM 665 C TRP A 45 5.352 0.626 2.612 1.00 0.00 C ATOM 666 O TRP A 45 5.277 -0.319 3.397 1.00 0.00 O ATOM 667 CB TRP A 45 4.437 0.582 0.284 1.00 0.00 C ATOM 668 CG TRP A 45 4.741 0.921 -1.144 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.040 0.044 -2.148 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.780 2.228 -1.725 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.261 0.729 -3.319 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.107 2.070 -3.086 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.568 3.518 -1.229 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.227 3.153 -3.953 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.688 4.591 -2.091 1.00 0.00 C ATOM 676 CH2 TRP A 45 5.014 4.403 -3.441 1.00 0.00 C ATOM 0 H TRP A 45 5.777 -1.677 1.472 1.00 0.00 H new ATOM 0 HA TRP A 45 6.440 1.122 0.842 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.843 -0.332 0.314 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.825 1.374 0.715 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.095 -1.029 -2.038 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.501 0.307 -4.216 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.315 3.673 -0.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.479 3.011 -4.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.528 5.592 -1.718 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.099 5.262 -4.090 1.00 0.00 H new ATOM 687 N GLU A 46 5.151 1.888 2.975 1.00 0.00 N ATOM 688 CA GLU A 46 4.823 2.243 4.351 1.00 0.00 C ATOM 689 C GLU A 46 3.527 3.046 4.412 1.00 0.00 C ATOM 690 O GLU A 46 3.515 4.248 4.147 1.00 0.00 O ATOM 691 CB GLU A 46 5.964 3.047 4.979 1.00 0.00 C ATOM 692 CG GLU A 46 7.269 2.276 5.078 1.00 0.00 C ATOM 693 CD GLU A 46 8.118 2.714 6.256 1.00 0.00 C ATOM 694 OE1 GLU A 46 7.998 3.886 6.669 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.900 1.884 6.764 1.00 0.00 O ATOM 0 H GLU A 46 5.209 2.681 2.337 1.00 0.00 H new ATOM 0 HA GLU A 46 4.685 1.320 4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.129 3.949 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.665 3.368 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.052 1.212 5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.836 2.409 4.157 1.00 0.00 H new ATOM 702 N GLY A 47 2.436 2.372 4.762 1.00 0.00 N ATOM 703 CA GLY A 47 1.149 3.037 4.851 1.00 0.00 C ATOM 704 C GLY A 47 0.321 2.545 6.022 1.00 0.00 C ATOM 705 O GLY A 47 0.866 2.111 7.037 1.00 0.00 O ATOM 0 H GLY A 47 2.420 1.377 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.305 4.112 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.596 2.876 3.926 1.00 0.00 H new ATOM 709 N ARG A 48 -0.999 2.613 5.881 1.00 0.00 N ATOM 710 CA ARG A 48 -1.903 2.173 6.936 1.00 0.00 C ATOM 711 C ARG A 48 -3.089 1.410 6.353 1.00 0.00 C ATOM 712 O ARG A 48 -3.649 1.801 5.329 1.00 0.00 O ATOM 713 CB ARG A 48 -2.402 3.374 7.743 1.00 0.00 C ATOM 714 CG ARG A 48 -3.359 3.000 8.863 1.00 0.00 C ATOM 715 CD ARG A 48 -3.913 4.234 9.557 1.00 0.00 C ATOM 716 NE ARG A 48 -3.076 4.653 10.678 1.00 0.00 N ATOM 717 CZ ARG A 48 -3.179 5.838 11.269 1.00 0.00 C ATOM 718 NH1 ARG A 48 -4.079 6.717 10.848 1.00 0.00 N ATOM 719 NH2 ARG A 48 -2.381 6.147 12.283 1.00 0.00 N ATOM 0 H ARG A 48 -1.466 2.969 5.047 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.352 1.504 7.596 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.545 3.897 8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.899 4.072 7.070 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.181 2.409 8.459 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.843 2.373 9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.991 5.050 8.838 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.921 4.027 9.915 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.374 4.000 11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.694 6.484 10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.156 7.626 11.304 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.687 5.474 12.610 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.461 7.057 12.736 1.00 0.00 H new ATOM 733 N HIS A 49 -3.466 0.319 7.013 1.00 0.00 N ATOM 734 CA HIS A 49 -4.585 -0.499 6.560 1.00 0.00 C ATOM 735 C HIS A 49 -5.536 -0.805 7.713 1.00 0.00 C ATOM 736 O HIS A 49 -5.166 -1.479 8.674 1.00 0.00 O ATOM 737 CB HIS A 49 -4.075 -1.803 5.945 1.00 0.00 C ATOM 738 CG HIS A 49 -5.162 -2.785 5.637 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.264 -4.014 6.255 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.200 -2.714 4.771 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.317 -4.657 5.781 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.902 -3.890 4.879 1.00 0.00 N ATOM 0 H HIS A 49 -3.013 -0.018 7.862 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.130 0.063 5.802 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.532 -1.575 5.028 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.363 -2.264 6.630 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.433 -1.887 4.117 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.643 -5.642 6.080 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.739 -4.132 4.349 1.00 0.00 H new ATOM 751 N ASN A 50 -6.763 -0.304 7.611 1.00 0.00 N ATOM 752 CA ASN A 50 -7.767 -0.523 8.646 1.00 0.00 C ATOM 753 C ASN A 50 -7.240 -0.097 10.013 1.00 0.00 C ATOM 754 O ASN A 50 -7.443 -0.787 11.011 1.00 0.00 O ATOM 755 CB ASN A 50 -8.179 -1.996 8.682 1.00 0.00 C ATOM 756 CG ASN A 50 -9.332 -2.250 9.635 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.464 -1.836 9.382 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.048 -2.933 10.737 1.00 0.00 N ATOM 0 H ASN A 50 -7.086 0.256 6.822 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.639 0.085 8.407 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.462 -2.316 7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.324 -2.603 8.980 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.782 -3.134 11.416 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.095 -3.257 10.905 1.00 0.00 H new ATOM 765 N GLY A 51 -6.561 1.046 10.050 1.00 0.00 N ATOM 766 CA GLY A 51 -6.016 1.545 11.299 1.00 0.00 C ATOM 767 C GLY A 51 -4.819 0.743 11.771 1.00 0.00 C ATOM 768 O GLY A 51 -4.622 0.559 12.972 1.00 0.00 O ATOM 0 H GLY A 51 -6.379 1.635 9.237 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.724 2.588 11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.791 1.521 12.065 1.00 0.00 H new ATOM 772 N ILE A 52 -4.020 0.263 10.824 1.00 0.00 N ATOM 773 CA ILE A 52 -2.838 -0.524 11.149 1.00 0.00 C ATOM 774 C ILE A 52 -1.657 -0.134 10.266 1.00 0.00 C ATOM 775 O ILE A 52 -1.703 -0.294 9.046 1.00 0.00 O ATOM 776 CB ILE A 52 -3.105 -2.033 10.993 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.273 -2.461 11.883 1.00 0.00 C ATOM 778 CG2 ILE A 52 -1.854 -2.830 11.331 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.740 -3.877 11.628 1.00 0.00 C ATOM 0 H ILE A 52 -4.170 0.406 9.825 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.595 -0.312 12.190 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.371 -2.235 9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.976 -2.368 12.928 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.108 -1.778 11.726 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.059 -3.894 11.216 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.046 -2.541 10.659 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.560 -2.626 12.361 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.570 -4.112 12.294 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.068 -3.971 10.593 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.919 -4.570 11.813 1.00 0.00 H new ATOM 791 N ASP A 53 -0.602 0.376 10.890 1.00 0.00 N ATOM 792 CA ASP A 53 0.593 0.786 10.161 1.00 0.00 C ATOM 793 C ASP A 53 1.546 -0.391 9.973 1.00 0.00 C ATOM 794 O ASP A 53 1.941 -1.043 10.938 1.00 0.00 O ATOM 795 CB ASP A 53 1.304 1.920 10.902 1.00 0.00 C ATOM 796 CG ASP A 53 2.235 1.411 11.984 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.749 1.120 13.096 1.00 0.00 O ATOM 798 OD2 ASP A 53 3.451 1.303 11.718 1.00 0.00 O ATOM 0 H ASP A 53 -0.549 0.516 11.899 1.00 0.00 H new ATOM 0 HA ASP A 53 0.285 1.141 9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.873 2.516 10.188 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.561 2.581 11.348 1.00 0.00 H new ATOM 803 N GLY A 54 1.910 -0.656 8.722 1.00 0.00 N ATOM 804 CA GLY A 54 2.812 -1.755 8.429 1.00 0.00 C ATOM 805 C GLY A 54 3.426 -1.649 7.048 1.00 0.00 C ATOM 806 O GLY A 54 3.523 -0.557 6.486 1.00 0.00 O ATOM 0 H GLY A 54 1.597 -0.130 7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.606 -1.778 9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.270 -2.697 8.511 1.00 0.00 H new ATOM 810 N LEU A 55 3.843 -2.784 6.499 1.00 0.00 N ATOM 811 CA LEU A 55 4.452 -2.815 5.174 1.00 0.00 C ATOM 812 C LEU A 55 3.463 -3.323 4.130 1.00 0.00 C ATOM 813 O LEU A 55 2.584 -4.130 4.435 1.00 0.00 O ATOM 814 CB LEU A 55 5.699 -3.702 5.185 1.00 0.00 C ATOM 815 CG LEU A 55 6.886 -3.180 5.996 1.00 0.00 C ATOM 816 CD1 LEU A 55 7.962 -4.249 6.114 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.452 -1.918 5.362 1.00 0.00 C ATOM 0 H LEU A 55 3.771 -3.696 6.951 1.00 0.00 H new ATOM 0 HA LEU A 55 4.739 -1.797 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.421 -4.681 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.025 -3.850 4.155 1.00 0.00 H new ATOM 0 HG LEU A 55 6.536 -2.933 6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.799 -3.860 6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.550 -5.126 6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.309 -4.528 5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.296 -1.561 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.786 -2.139 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.680 -1.149 5.330 1.00 0.00 H new ATOM 829 N ILE A 56 3.613 -2.847 2.899 1.00 0.00 N ATOM 830 CA ILE A 56 2.734 -3.256 1.810 1.00 0.00 C ATOM 831 C ILE A 56 3.535 -3.618 0.564 1.00 0.00 C ATOM 832 O ILE A 56 4.398 -2.867 0.110 1.00 0.00 O ATOM 833 CB ILE A 56 1.726 -2.147 1.454 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.870 -1.795 2.672 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.847 -2.584 0.291 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.305 -0.393 2.629 1.00 0.00 C ATOM 0 H ILE A 56 4.335 -2.178 2.630 1.00 0.00 H new ATOM 0 HA ILE A 56 2.189 -4.134 2.157 1.00 0.00 H new ATOM 0 HB ILE A 56 2.279 -1.257 1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.048 -2.507 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.472 -1.908 3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.140 -1.790 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.471 -2.790 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.300 -3.486 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.291 -0.213 3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.122 0.327 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.324 -0.281 1.746 1.00 0.00 H new ATOM 848 N PRO A 57 3.243 -4.797 -0.005 1.00 0.00 N ATOM 849 CA PRO A 57 3.923 -5.286 -1.208 1.00 0.00 C ATOM 850 C PRO A 57 3.551 -4.483 -2.451 1.00 0.00 C ATOM 851 O PRO A 57 2.382 -4.166 -2.670 1.00 0.00 O ATOM 852 CB PRO A 57 3.426 -6.728 -1.336 1.00 0.00 C ATOM 853 CG PRO A 57 2.109 -6.738 -0.640 1.00 0.00 C ATOM 854 CD PRO A 57 2.225 -5.744 0.482 1.00 0.00 C ATOM 0 HA PRO A 57 5.007 -5.200 -1.127 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.324 -7.020 -2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.122 -7.429 -0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.305 -6.463 -1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.877 -7.732 -0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.275 -5.247 0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.533 -6.222 1.412 1.00 0.00 H new ATOM 862 N HIS A 58 4.553 -4.157 -3.261 1.00 0.00 N ATOM 863 CA HIS A 58 4.331 -3.392 -4.482 1.00 0.00 C ATOM 864 C HIS A 58 3.876 -4.303 -5.619 1.00 0.00 C ATOM 865 O HIS A 58 3.541 -3.833 -6.706 1.00 0.00 O ATOM 866 CB HIS A 58 5.607 -2.652 -4.885 1.00 0.00 C ATOM 867 CG HIS A 58 5.451 -1.815 -6.117 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.384 -0.439 -6.089 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.349 -2.168 -7.420 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.247 0.019 -7.320 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.224 -1.010 -8.147 1.00 0.00 N ATOM 0 H HIS A 58 5.527 -4.411 -3.094 1.00 0.00 H new ATOM 0 HA HIS A 58 3.544 -2.663 -4.287 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.923 -2.014 -4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.403 -3.379 -5.048 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.363 -3.173 -7.814 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.167 1.058 -7.602 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.129 -0.954 -9.161 1.00 0.00 H new ATOM 879 N GLN A 59 3.869 -5.606 -5.360 1.00 0.00 N ATOM 880 CA GLN A 59 3.457 -6.582 -6.362 1.00 0.00 C ATOM 881 C GLN A 59 1.966 -6.882 -6.248 1.00 0.00 C ATOM 882 O GLN A 59 1.337 -7.323 -7.210 1.00 0.00 O ATOM 883 CB GLN A 59 4.263 -7.873 -6.209 1.00 0.00 C ATOM 884 CG GLN A 59 5.718 -7.735 -6.628 1.00 0.00 C ATOM 885 CD GLN A 59 5.882 -6.960 -7.920 1.00 0.00 C ATOM 886 OE1 GLN A 59 6.185 -5.767 -7.908 1.00 0.00 O ATOM 887 NE2 GLN A 59 5.683 -7.636 -9.046 1.00 0.00 N ATOM 0 H GLN A 59 4.144 -6.011 -4.465 1.00 0.00 H new ATOM 0 HA GLN A 59 3.649 -6.157 -7.347 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.222 -8.196 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.795 -8.657 -6.805 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.274 -7.235 -5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.154 -8.727 -6.746 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.433 -8.624 -9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.780 -7.167 -9.946 1.00 0.00 H new ATOM 896 N TYR A 60 1.408 -6.641 -5.068 1.00 0.00 N ATOM 897 CA TYR A 60 -0.009 -6.888 -4.828 1.00 0.00 C ATOM 898 C TYR A 60 -0.762 -5.579 -4.613 1.00 0.00 C ATOM 899 O TYR A 60 -1.747 -5.530 -3.876 1.00 0.00 O ATOM 900 CB TYR A 60 -0.190 -7.799 -3.612 1.00 0.00 C ATOM 901 CG TYR A 60 0.478 -9.147 -3.761 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.857 -9.250 -3.898 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.270 -10.318 -3.763 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.471 -10.479 -4.035 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.337 -11.552 -3.897 1.00 0.00 C ATOM 906 CZ TYR A 60 1.707 -11.628 -4.034 1.00 0.00 C ATOM 907 OH TYR A 60 2.316 -12.854 -4.168 1.00 0.00 O ATOM 0 H TYR A 60 1.915 -6.275 -4.262 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.420 -7.382 -5.709 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.212 -7.299 -2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.255 -7.948 -3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.459 -8.353 -3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.343 -10.263 -3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.544 -10.541 -4.142 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.259 -12.453 -3.894 1.00 0.00 H new ATOM 0 HH TYR A 60 1.637 -13.561 -4.146 1.00 0.00 H new ATOM 917 N ILE A 61 -0.291 -4.520 -5.263 1.00 0.00 N ATOM 918 CA ILE A 61 -0.920 -3.210 -5.146 1.00 0.00 C ATOM 919 C ILE A 61 -0.524 -2.304 -6.306 1.00 0.00 C ATOM 920 O ILE A 61 0.535 -2.477 -6.910 1.00 0.00 O ATOM 921 CB ILE A 61 -0.544 -2.522 -3.820 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.954 -2.215 -3.786 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.938 -3.397 -2.639 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.305 -0.853 -4.343 1.00 0.00 C ATOM 0 H ILE A 61 0.524 -4.543 -5.876 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.997 -3.374 -5.168 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.090 -1.581 -3.748 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.306 -2.279 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.486 -2.979 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.666 -2.897 -1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.014 -3.569 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.417 -4.352 -2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.383 -0.704 -4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.984 -0.791 -5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.801 -0.081 -3.761 1.00 0.00 H new ATOM 936 N VAL A 62 -1.381 -1.335 -6.612 1.00 0.00 N ATOM 937 CA VAL A 62 -1.120 -0.398 -7.699 1.00 0.00 C ATOM 938 C VAL A 62 -1.146 1.042 -7.201 1.00 0.00 C ATOM 939 O VAL A 62 -2.204 1.574 -6.862 1.00 0.00 O ATOM 940 CB VAL A 62 -2.147 -0.556 -8.836 1.00 0.00 C ATOM 941 CG1 VAL A 62 -1.863 0.435 -9.954 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.143 -1.983 -9.363 1.00 0.00 C ATOM 0 H VAL A 62 -2.262 -1.178 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.126 -0.628 -8.083 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.139 -0.343 -8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.599 0.308 -10.748 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.922 1.451 -9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.864 0.257 -10.353 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.874 -2.076 -10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.152 -2.227 -9.745 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.400 -2.670 -8.556 1.00 0.00 H new ATOM 952 N VAL A 63 0.025 1.670 -7.160 1.00 0.00 N ATOM 953 CA VAL A 63 0.136 3.051 -6.705 1.00 0.00 C ATOM 954 C VAL A 63 -0.485 4.013 -7.711 1.00 0.00 C ATOM 955 O VAL A 63 0.003 4.155 -8.832 1.00 0.00 O ATOM 956 CB VAL A 63 1.606 3.448 -6.472 1.00 0.00 C ATOM 957 CG1 VAL A 63 1.701 4.891 -5.999 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.259 2.506 -5.472 1.00 0.00 C ATOM 0 H VAL A 63 0.910 1.244 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.405 3.118 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 63 2.141 3.365 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.747 5.154 -5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.272 5.550 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.152 5.004 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.297 2.801 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.724 2.555 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.224 1.487 -5.856 1.00 0.00 H new