USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 460 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 1 GLN : amide:sc= -0.032 K(o=-0.032,f=-3.3!) USER MOD Single : A 1 GLN N :NH3+ -107:sc= 0.404 (180deg=-0.592) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 178:sc= 1.66 (180deg=1.59) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0.279 USER MOD Single : A 30 ASN : amide:sc= 0.181 X(o=0.18,f=-0.079) USER MOD Single : A 35 SER OG : rot 180:sc= -0.111 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.22) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= 0.36 K(o=0.36,f=-2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0308 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 22.076 -58.775 -22.141 1.00 0.00 N ATOM 2 CA GLN A 1 22.598 -57.884 -21.057 1.00 0.00 C ATOM 3 C GLN A 1 21.856 -56.542 -21.056 1.00 0.00 C ATOM 4 O GLN A 1 21.045 -56.268 -21.921 1.00 0.00 O ATOM 5 CB GLN A 1 24.090 -57.676 -21.362 1.00 0.00 C ATOM 6 CG GLN A 1 24.274 -57.082 -22.767 1.00 0.00 C ATOM 7 CD GLN A 1 24.810 -58.159 -23.714 1.00 0.00 C ATOM 8 OE1 GLN A 1 24.064 -59.000 -24.178 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.078 -58.172 -24.022 1.00 0.00 N ATOM 0 H1 GLN A 1 21.506 -59.537 -21.720 1.00 0.00 H new ATOM 0 H2 GLN A 1 21.485 -58.220 -22.792 1.00 0.00 H new ATOM 0 H3 GLN A 1 22.874 -59.188 -22.665 1.00 0.00 H new ATOM 0 HA GLN A 1 22.450 -58.328 -20.072 1.00 0.00 H new ATOM 0 HB2 GLN A 1 24.530 -57.011 -20.619 1.00 0.00 H new ATOM 0 HB3 GLN A 1 24.618 -58.627 -21.291 1.00 0.00 H new ATOM 0 HG2 GLN A 1 23.324 -56.698 -23.138 1.00 0.00 H new ATOM 0 HG3 GLN A 1 24.965 -56.240 -22.729 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.704 -57.467 -23.633 1.00 0.00 H new ATOM 0 HE22 GLN A 1 26.443 -58.887 -24.651 1.00 0.00 H new ATOM 20 N VAL A 2 22.137 -55.708 -20.088 1.00 0.00 N ATOM 21 CA VAL A 2 21.460 -54.378 -20.013 1.00 0.00 C ATOM 22 C VAL A 2 22.492 -53.267 -19.773 1.00 0.00 C ATOM 23 O VAL A 2 23.516 -53.482 -19.151 1.00 0.00 O ATOM 24 CB VAL A 2 20.481 -54.490 -18.831 1.00 0.00 C ATOM 25 CG1 VAL A 2 21.250 -54.708 -17.523 1.00 0.00 C ATOM 26 CG2 VAL A 2 19.656 -53.203 -18.724 1.00 0.00 C ATOM 0 H VAL A 2 22.809 -55.892 -19.343 1.00 0.00 H new ATOM 0 HA VAL A 2 20.942 -54.125 -20.938 1.00 0.00 H new ATOM 0 HB VAL A 2 19.820 -55.340 -19.002 1.00 0.00 H new ATOM 0 HG11 VAL A 2 20.545 -54.785 -16.695 1.00 0.00 H new ATOM 0 HG12 VAL A 2 21.832 -55.627 -17.592 1.00 0.00 H new ATOM 0 HG13 VAL A 2 21.921 -53.866 -17.351 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.963 -53.284 -17.887 1.00 0.00 H new ATOM 0 HG22 VAL A 2 20.323 -52.356 -18.563 1.00 0.00 H new ATOM 0 HG23 VAL A 2 19.095 -53.053 -19.646 1.00 0.00 H new ATOM 36 N TYR A 3 22.226 -52.082 -20.262 1.00 0.00 N ATOM 37 CA TYR A 3 23.181 -50.950 -20.064 1.00 0.00 C ATOM 38 C TYR A 3 22.590 -49.938 -19.076 1.00 0.00 C ATOM 39 O TYR A 3 22.055 -48.914 -19.462 1.00 0.00 O ATOM 40 CB TYR A 3 23.355 -50.325 -21.453 1.00 0.00 C ATOM 41 CG TYR A 3 24.369 -51.120 -22.243 1.00 0.00 C ATOM 42 CD1 TYR A 3 23.955 -52.217 -23.009 1.00 0.00 C ATOM 43 CD2 TYR A 3 25.721 -50.760 -22.209 1.00 0.00 C ATOM 44 CE1 TYR A 3 24.894 -52.953 -23.740 1.00 0.00 C ATOM 45 CE2 TYR A 3 26.660 -51.497 -22.941 1.00 0.00 C ATOM 46 CZ TYR A 3 26.246 -52.593 -23.706 1.00 0.00 C ATOM 47 OH TYR A 3 27.172 -53.319 -24.426 1.00 0.00 O ATOM 0 H TYR A 3 21.386 -51.849 -20.791 1.00 0.00 H new ATOM 0 HA TYR A 3 24.136 -51.275 -19.651 1.00 0.00 H new ATOM 0 HB2 TYR A 3 22.400 -50.310 -21.978 1.00 0.00 H new ATOM 0 HB3 TYR A 3 23.683 -49.290 -21.359 1.00 0.00 H new ATOM 0 HD1 TYR A 3 22.912 -52.495 -23.035 1.00 0.00 H new ATOM 0 HD2 TYR A 3 26.040 -49.914 -21.618 1.00 0.00 H new ATOM 0 HE1 TYR A 3 24.575 -53.799 -24.331 1.00 0.00 H new ATOM 0 HE2 TYR A 3 27.703 -51.220 -22.915 1.00 0.00 H new ATOM 0 HH TYR A 3 28.064 -52.935 -24.293 1.00 0.00 H new ATOM 57 N LYS A 4 22.678 -50.224 -17.803 1.00 0.00 N ATOM 58 CA LYS A 4 22.120 -49.292 -16.780 1.00 0.00 C ATOM 59 C LYS A 4 22.910 -49.410 -15.470 1.00 0.00 C ATOM 60 O LYS A 4 22.804 -50.393 -14.759 1.00 0.00 O ATOM 61 CB LYS A 4 20.669 -49.747 -16.586 1.00 0.00 C ATOM 62 CG LYS A 4 19.778 -48.534 -16.300 1.00 0.00 C ATOM 63 CD LYS A 4 19.938 -48.104 -14.837 1.00 0.00 C ATOM 64 CE LYS A 4 19.329 -49.168 -13.913 1.00 0.00 C ATOM 65 NZ LYS A 4 20.485 -49.755 -13.173 1.00 0.00 N ATOM 0 H LYS A 4 23.114 -51.066 -17.427 1.00 0.00 H new ATOM 0 HA LYS A 4 22.180 -48.248 -17.088 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.318 -50.265 -17.479 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.608 -50.457 -15.761 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.046 -47.710 -16.962 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.736 -48.781 -16.504 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.993 -47.966 -14.602 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.447 -47.144 -14.675 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.606 -48.726 -13.227 1.00 0.00 H new ATOM 0 HE3 LYS A 4 18.800 -49.930 -14.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.140 -50.467 -12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.136 -50.205 -13.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.985 -49.003 -12.658 1.00 0.00 H new ATOM 79 N GLY A 5 23.702 -48.415 -15.151 1.00 0.00 N ATOM 80 CA GLY A 5 24.503 -48.462 -13.891 1.00 0.00 C ATOM 81 C GLY A 5 23.638 -48.021 -12.705 1.00 0.00 C ATOM 82 O GLY A 5 22.426 -47.969 -12.793 1.00 0.00 O ATOM 0 H GLY A 5 23.827 -47.572 -15.711 1.00 0.00 H new ATOM 0 HA2 GLY A 5 24.876 -49.473 -13.724 1.00 0.00 H new ATOM 0 HA3 GLY A 5 25.373 -47.812 -13.979 1.00 0.00 H new ATOM 86 N GLY A 6 24.254 -47.703 -11.596 1.00 0.00 N ATOM 87 CA GLY A 6 23.473 -47.266 -10.401 1.00 0.00 C ATOM 88 C GLY A 6 24.416 -46.637 -9.375 1.00 0.00 C ATOM 89 O GLY A 6 24.864 -47.290 -8.452 1.00 0.00 O ATOM 0 H GLY A 6 25.265 -47.727 -11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 6 22.709 -46.547 -10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 6 22.956 -48.118 -9.960 1.00 0.00 H new ATOM 93 N TYR A 7 24.720 -45.372 -9.531 1.00 0.00 N ATOM 94 CA TYR A 7 25.636 -44.692 -8.567 1.00 0.00 C ATOM 95 C TYR A 7 24.827 -43.869 -7.552 1.00 0.00 C ATOM 96 O TYR A 7 23.786 -43.326 -7.873 1.00 0.00 O ATOM 97 CB TYR A 7 26.542 -43.791 -9.426 1.00 0.00 C ATOM 98 CG TYR A 7 25.775 -42.587 -9.937 1.00 0.00 C ATOM 99 CD1 TYR A 7 25.720 -41.415 -9.171 1.00 0.00 C ATOM 100 CD2 TYR A 7 25.123 -42.642 -11.175 1.00 0.00 C ATOM 101 CE1 TYR A 7 25.013 -40.302 -9.642 1.00 0.00 C ATOM 102 CE2 TYR A 7 24.417 -41.528 -11.646 1.00 0.00 C ATOM 103 CZ TYR A 7 24.362 -40.359 -10.879 1.00 0.00 C ATOM 104 OH TYR A 7 23.665 -39.263 -11.343 1.00 0.00 O ATOM 0 H TYR A 7 24.372 -44.781 -10.286 1.00 0.00 H new ATOM 0 HA TYR A 7 26.225 -45.403 -7.987 1.00 0.00 H new ATOM 0 HB2 TYR A 7 27.397 -43.460 -8.837 1.00 0.00 H new ATOM 0 HB3 TYR A 7 26.936 -44.361 -10.268 1.00 0.00 H new ATOM 0 HD1 TYR A 7 26.223 -41.370 -8.217 1.00 0.00 H new ATOM 0 HD2 TYR A 7 25.165 -43.544 -11.767 1.00 0.00 H new ATOM 0 HE1 TYR A 7 24.970 -39.399 -9.050 1.00 0.00 H new ATOM 0 HE2 TYR A 7 23.915 -41.571 -12.601 1.00 0.00 H new ATOM 0 HH TYR A 7 23.274 -39.470 -12.217 1.00 0.00 H new ATOM 114 N ALA A 8 25.306 -43.779 -6.331 1.00 0.00 N ATOM 115 CA ALA A 8 24.585 -43.000 -5.276 1.00 0.00 C ATOM 116 C ALA A 8 23.105 -43.421 -5.212 1.00 0.00 C ATOM 117 O ALA A 8 22.790 -44.597 -5.218 1.00 0.00 O ATOM 118 CB ALA A 8 24.741 -41.533 -5.698 1.00 0.00 C ATOM 0 H ALA A 8 26.173 -44.217 -6.020 1.00 0.00 H new ATOM 0 HA ALA A 8 24.987 -43.173 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 8 24.239 -40.891 -4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 8 25.800 -41.276 -5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 8 24.296 -41.388 -6.682 1.00 0.00 H new ATOM 124 N ARG A 9 22.197 -42.477 -5.153 1.00 0.00 N ATOM 125 CA ARG A 9 20.747 -42.826 -5.092 1.00 0.00 C ATOM 126 C ARG A 9 19.925 -41.808 -5.900 1.00 0.00 C ATOM 127 O ARG A 9 19.973 -40.624 -5.625 1.00 0.00 O ATOM 128 CB ARG A 9 20.385 -42.754 -3.605 1.00 0.00 C ATOM 129 CG ARG A 9 19.334 -43.818 -3.275 1.00 0.00 C ATOM 130 CD ARG A 9 18.033 -43.141 -2.831 1.00 0.00 C ATOM 131 NE ARG A 9 18.323 -42.591 -1.474 1.00 0.00 N ATOM 132 CZ ARG A 9 17.834 -43.174 -0.412 1.00 0.00 C ATOM 133 NH1 ARG A 9 16.636 -42.858 0.012 1.00 0.00 N ATOM 134 NH2 ARG A 9 18.541 -44.070 0.226 1.00 0.00 N ATOM 0 H ARG A 9 22.401 -41.478 -5.145 1.00 0.00 H new ATOM 0 HA ARG A 9 20.538 -43.809 -5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 9 21.276 -42.909 -2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 9 20.001 -41.763 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 9 19.150 -44.444 -4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 9 19.702 -44.473 -2.485 1.00 0.00 H new ATOM 0 HD2 ARG A 9 17.744 -42.350 -3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.209 -43.854 -2.799 1.00 0.00 H new ATOM 0 HE ARG A 9 18.904 -41.758 -1.376 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.087 -42.158 -0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.252 -43.312 0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.474 -44.314 -0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.159 -44.525 1.055 1.00 0.00 H new ATOM 148 N PRO A 10 19.195 -42.305 -6.874 1.00 0.00 N ATOM 149 CA PRO A 10 18.357 -41.420 -7.725 1.00 0.00 C ATOM 150 C PRO A 10 17.160 -40.886 -6.924 1.00 0.00 C ATOM 151 O PRO A 10 16.592 -41.588 -6.109 1.00 0.00 O ATOM 152 CB PRO A 10 17.899 -42.337 -8.857 1.00 0.00 C ATOM 153 CG PRO A 10 17.967 -43.717 -8.286 1.00 0.00 C ATOM 154 CD PRO A 10 19.078 -43.716 -7.270 1.00 0.00 C ATOM 0 HA PRO A 10 18.890 -40.542 -8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.887 -42.092 -9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 10 18.544 -42.239 -9.730 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.019 -43.990 -7.822 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.161 -44.450 -9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 10 18.840 -44.352 -6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 10 20.009 -44.090 -7.696 1.00 0.00 H new ATOM 162 N ILE A 11 16.787 -39.647 -7.152 1.00 0.00 N ATOM 163 CA ILE A 11 15.633 -39.037 -6.409 1.00 0.00 C ATOM 164 C ILE A 11 15.867 -39.142 -4.890 1.00 0.00 C ATOM 165 O ILE A 11 15.233 -39.933 -4.213 1.00 0.00 O ATOM 166 CB ILE A 11 14.388 -39.833 -6.837 1.00 0.00 C ATOM 167 CG1 ILE A 11 14.265 -39.823 -8.369 1.00 0.00 C ATOM 168 CG2 ILE A 11 13.136 -39.195 -6.230 1.00 0.00 C ATOM 169 CD1 ILE A 11 14.405 -41.250 -8.904 1.00 0.00 C ATOM 0 H ILE A 11 17.236 -39.027 -7.826 1.00 0.00 H new ATOM 0 HA ILE A 11 15.514 -37.978 -6.637 1.00 0.00 H new ATOM 0 HB ILE A 11 14.485 -40.860 -6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.302 -39.406 -8.664 1.00 0.00 H new ATOM 0 HG13 ILE A 11 15.035 -39.184 -8.802 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.255 -39.761 -6.535 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.214 -39.203 -5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.046 -38.167 -6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.318 -41.241 -9.990 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.379 -41.651 -8.621 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.619 -41.876 -8.482 1.00 0.00 H new ATOM 181 N PRO A 12 16.783 -38.335 -4.403 1.00 0.00 N ATOM 182 CA PRO A 12 17.109 -38.335 -2.958 1.00 0.00 C ATOM 183 C PRO A 12 16.018 -37.613 -2.158 1.00 0.00 C ATOM 184 O PRO A 12 14.958 -37.302 -2.669 1.00 0.00 O ATOM 185 CB PRO A 12 18.431 -37.575 -2.887 1.00 0.00 C ATOM 186 CG PRO A 12 18.445 -36.697 -4.096 1.00 0.00 C ATOM 187 CD PRO A 12 17.590 -37.359 -5.146 1.00 0.00 C ATOM 0 HA PRO A 12 17.177 -39.338 -2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.498 -36.986 -1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.279 -38.260 -2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.059 -35.707 -3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.463 -36.562 -4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 12 16.960 -36.633 -5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.201 -37.846 -5.906 1.00 0.00 H new ATOM 195 N ARG A 13 16.282 -37.349 -0.909 1.00 0.00 N ATOM 196 CA ARG A 13 15.279 -36.650 -0.050 1.00 0.00 C ATOM 197 C ARG A 13 15.107 -35.193 -0.509 1.00 0.00 C ATOM 198 O ARG A 13 16.032 -34.406 -0.422 1.00 0.00 O ATOM 199 CB ARG A 13 15.855 -36.703 1.371 1.00 0.00 C ATOM 200 CG ARG A 13 15.331 -37.945 2.103 1.00 0.00 C ATOM 201 CD ARG A 13 13.806 -37.860 2.269 1.00 0.00 C ATOM 202 NE ARG A 13 13.572 -36.746 3.236 1.00 0.00 N ATOM 203 CZ ARG A 13 13.252 -35.556 2.798 1.00 0.00 C ATOM 204 NH1 ARG A 13 12.137 -35.382 2.136 1.00 0.00 N ATOM 205 NH2 ARG A 13 14.043 -34.541 3.025 1.00 0.00 N ATOM 0 H ARG A 13 17.156 -37.588 -0.441 1.00 0.00 H new ATOM 0 HA ARG A 13 14.296 -37.118 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.944 -36.727 1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.576 -35.803 1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.594 -38.843 1.544 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.806 -38.027 3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.318 -37.661 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.399 -38.799 2.645 1.00 0.00 H new ATOM 0 HE ARG A 13 13.662 -36.913 4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.518 -36.174 1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.886 -34.454 1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.911 -34.677 3.544 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.793 -33.613 2.683 1.00 0.00 H new ATOM 219 N PRO A 14 13.924 -34.882 -0.988 1.00 0.00 N ATOM 220 CA PRO A 14 13.631 -33.503 -1.469 1.00 0.00 C ATOM 221 C PRO A 14 13.524 -32.523 -0.288 1.00 0.00 C ATOM 222 O PRO A 14 13.051 -32.884 0.775 1.00 0.00 O ATOM 223 CB PRO A 14 12.284 -33.650 -2.175 1.00 0.00 C ATOM 224 CG PRO A 14 11.646 -34.847 -1.545 1.00 0.00 C ATOM 225 CD PRO A 14 12.761 -35.769 -1.129 1.00 0.00 C ATOM 0 HA PRO A 14 14.411 -33.105 -2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.670 -32.760 -2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.414 -33.791 -3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.044 -34.556 -0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.977 -35.343 -2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.530 -36.276 -0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 14 12.938 -36.543 -1.876 1.00 0.00 H new ATOM 233 N PRO A 15 13.971 -31.308 -0.518 1.00 0.00 N ATOM 234 CA PRO A 15 13.924 -30.261 0.536 1.00 0.00 C ATOM 235 C PRO A 15 12.495 -29.708 0.689 1.00 0.00 C ATOM 236 O PRO A 15 11.814 -29.477 -0.294 1.00 0.00 O ATOM 237 CB PRO A 15 14.868 -29.183 0.012 1.00 0.00 C ATOM 238 CG PRO A 15 14.886 -29.360 -1.475 1.00 0.00 C ATOM 239 CD PRO A 15 14.560 -30.803 -1.767 1.00 0.00 C ATOM 0 HA PRO A 15 14.210 -30.634 1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.518 -28.188 0.285 1.00 0.00 H new ATOM 0 HB3 PRO A 15 15.867 -29.296 0.433 1.00 0.00 H new ATOM 0 HG2 PRO A 15 14.159 -28.700 -1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.864 -29.099 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 15 13.862 -30.891 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.454 -31.364 -2.040 1.00 0.00 H new ATOM 247 N PRO A 16 12.090 -29.512 1.925 1.00 0.00 N ATOM 248 CA PRO A 16 10.730 -28.979 2.206 1.00 0.00 C ATOM 249 C PRO A 16 10.650 -27.486 1.855 1.00 0.00 C ATOM 250 O PRO A 16 11.011 -26.631 2.645 1.00 0.00 O ATOM 251 CB PRO A 16 10.562 -29.202 3.708 1.00 0.00 C ATOM 252 CG PRO A 16 11.953 -29.242 4.254 1.00 0.00 C ATOM 253 CD PRO A 16 12.847 -29.762 3.159 1.00 0.00 C ATOM 0 HA PRO A 16 9.950 -29.464 1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.983 -28.399 4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.032 -30.132 3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.271 -28.249 4.571 1.00 0.00 H new ATOM 0 HG3 PRO A 16 12.004 -29.887 5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.806 -29.245 3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.058 -30.823 3.288 1.00 0.00 H new ATOM 261 N PHE A 17 10.181 -27.169 0.673 1.00 0.00 N ATOM 262 CA PHE A 17 10.074 -25.737 0.259 1.00 0.00 C ATOM 263 C PHE A 17 8.877 -25.070 0.947 1.00 0.00 C ATOM 264 O PHE A 17 7.857 -25.691 1.185 1.00 0.00 O ATOM 265 CB PHE A 17 9.881 -25.771 -1.262 1.00 0.00 C ATOM 266 CG PHE A 17 9.739 -24.363 -1.802 1.00 0.00 C ATOM 267 CD1 PHE A 17 10.740 -23.412 -1.559 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.608 -24.011 -2.548 1.00 0.00 C ATOM 269 CE1 PHE A 17 10.607 -22.112 -2.059 1.00 0.00 C ATOM 270 CE2 PHE A 17 8.476 -22.711 -3.049 1.00 0.00 C ATOM 271 CZ PHE A 17 9.474 -21.761 -2.804 1.00 0.00 C ATOM 0 H PHE A 17 9.867 -27.844 -0.025 1.00 0.00 H new ATOM 0 HA PHE A 17 10.956 -25.161 0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.731 -26.265 -1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.995 -26.355 -1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 17 11.614 -23.683 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.837 -24.743 -2.737 1.00 0.00 H new ATOM 0 HE1 PHE A 17 11.378 -21.379 -1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.603 -22.441 -3.625 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.371 -20.757 -3.189 1.00 0.00 H new ATOM 281 N VAL A 18 9.001 -23.809 1.263 1.00 0.00 N ATOM 282 CA VAL A 18 7.881 -23.078 1.937 1.00 0.00 C ATOM 283 C VAL A 18 6.892 -22.545 0.890 1.00 0.00 C ATOM 284 O VAL A 18 7.240 -22.352 -0.259 1.00 0.00 O ATOM 285 CB VAL A 18 8.553 -21.921 2.691 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.492 -21.076 3.401 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.528 -22.483 3.731 1.00 0.00 C ATOM 0 H VAL A 18 9.834 -23.248 1.083 1.00 0.00 H new ATOM 0 HA VAL A 18 7.313 -23.721 2.610 1.00 0.00 H new ATOM 0 HB VAL A 18 9.094 -21.299 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.976 -20.257 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.798 -20.670 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.946 -21.698 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.004 -21.661 4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.984 -23.109 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.290 -23.080 3.230 1.00 0.00 H new ATOM 297 N ARG A 19 5.664 -22.309 1.286 1.00 0.00 N ATOM 298 CA ARG A 19 4.645 -21.788 0.321 1.00 0.00 C ATOM 299 C ARG A 19 5.106 -20.445 -0.270 1.00 0.00 C ATOM 300 O ARG A 19 5.266 -19.477 0.451 1.00 0.00 O ATOM 301 CB ARG A 19 3.366 -21.603 1.147 1.00 0.00 C ATOM 302 CG ARG A 19 2.202 -21.240 0.220 1.00 0.00 C ATOM 303 CD ARG A 19 1.629 -19.875 0.621 1.00 0.00 C ATOM 304 NE ARG A 19 1.180 -19.247 -0.657 1.00 0.00 N ATOM 305 CZ ARG A 19 0.166 -19.746 -1.313 1.00 0.00 C ATOM 306 NH1 ARG A 19 -1.054 -19.476 -0.932 1.00 0.00 N ATOM 307 NH2 ARG A 19 0.376 -20.510 -2.353 1.00 0.00 N ATOM 0 H ARG A 19 5.323 -22.455 2.236 1.00 0.00 H new ATOM 0 HA ARG A 19 4.491 -22.466 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.138 -22.519 1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.511 -20.818 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.543 -21.212 -0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.426 -22.003 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.798 -19.986 1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.382 -19.263 1.117 1.00 0.00 H new ATOM 0 HE ARG A 19 1.666 -18.426 -1.019 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.215 -18.876 -0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.846 -19.865 -1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.330 -20.715 -2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.414 -20.901 -2.867 1.00 0.00 H new ATOM 321 N PRO A 20 5.304 -20.433 -1.570 1.00 0.00 N ATOM 322 CA PRO A 20 5.753 -19.199 -2.262 1.00 0.00 C ATOM 323 C PRO A 20 4.626 -18.162 -2.302 1.00 0.00 C ATOM 324 O PRO A 20 3.489 -18.454 -1.979 1.00 0.00 O ATOM 325 CB PRO A 20 6.101 -19.680 -3.670 1.00 0.00 C ATOM 326 CG PRO A 20 5.288 -20.918 -3.863 1.00 0.00 C ATOM 327 CD PRO A 20 5.133 -21.551 -2.506 1.00 0.00 C ATOM 0 HA PRO A 20 6.592 -18.713 -1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.856 -18.925 -4.417 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.167 -19.888 -3.765 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.315 -20.679 -4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.782 -21.601 -4.554 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.155 -22.019 -2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.880 -22.328 -2.340 1.00 0.00 H new ATOM 335 N LEU A 21 4.943 -16.955 -2.700 1.00 0.00 N ATOM 336 CA LEU A 21 3.914 -15.867 -2.772 1.00 0.00 C ATOM 337 C LEU A 21 3.160 -15.740 -1.434 1.00 0.00 C ATOM 338 O LEU A 21 1.968 -15.977 -1.365 1.00 0.00 O ATOM 339 CB LEU A 21 2.966 -16.283 -3.906 1.00 0.00 C ATOM 340 CG LEU A 21 3.203 -15.388 -5.125 1.00 0.00 C ATOM 341 CD1 LEU A 21 2.957 -16.191 -6.404 1.00 0.00 C ATOM 342 CD2 LEU A 21 2.242 -14.197 -5.077 1.00 0.00 C ATOM 0 H LEU A 21 5.882 -16.672 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 21 4.362 -14.892 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.134 -17.327 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.930 -16.200 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 21 4.231 -15.026 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.126 -15.554 -7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.641 -17.039 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.929 -16.553 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.410 -13.559 -5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.214 -14.559 -5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.417 -13.624 -4.166 1.00 0.00 H new ATOM 354 N PRO A 22 3.891 -15.372 -0.406 1.00 0.00 N ATOM 355 CA PRO A 22 3.291 -15.214 0.941 1.00 0.00 C ATOM 356 C PRO A 22 2.606 -13.845 1.074 1.00 0.00 C ATOM 357 O PRO A 22 3.075 -12.855 0.544 1.00 0.00 O ATOM 358 CB PRO A 22 4.492 -15.308 1.876 1.00 0.00 C ATOM 359 CG PRO A 22 5.676 -14.886 1.057 1.00 0.00 C ATOM 360 CD PRO A 22 5.329 -15.074 -0.401 1.00 0.00 C ATOM 0 HA PRO A 22 2.523 -15.957 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.365 -14.660 2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.617 -16.323 2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.926 -13.844 1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.552 -15.480 1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.550 -14.177 -0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.904 -15.888 -0.843 1.00 0.00 H new ATOM 368 N GLY A 23 1.510 -13.784 1.790 1.00 0.00 N ATOM 369 CA GLY A 23 0.798 -12.483 1.974 1.00 0.00 C ATOM 370 C GLY A 23 -0.203 -12.263 0.836 1.00 0.00 C ATOM 371 O GLY A 23 -0.174 -11.250 0.165 1.00 0.00 O ATOM 0 H GLY A 23 1.077 -14.582 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.278 -12.477 2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.519 -11.666 1.997 1.00 0.00 H new ATOM 375 N GLY A 24 -1.094 -13.201 0.621 1.00 0.00 N ATOM 376 CA GLY A 24 -2.105 -13.048 -0.468 1.00 0.00 C ATOM 377 C GLY A 24 -1.506 -13.491 -1.810 1.00 0.00 C ATOM 378 O GLY A 24 -0.359 -13.205 -2.098 1.00 0.00 O ATOM 0 H GLY A 24 -1.163 -14.067 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.989 -13.644 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.429 -12.009 -0.531 1.00 0.00 H new ATOM 382 N PRO A 25 -2.312 -14.175 -2.593 1.00 0.00 N ATOM 383 CA PRO A 25 -1.861 -14.662 -3.925 1.00 0.00 C ATOM 384 C PRO A 25 -1.841 -13.518 -4.953 1.00 0.00 C ATOM 385 O PRO A 25 -2.189 -12.391 -4.652 1.00 0.00 O ATOM 386 CB PRO A 25 -2.915 -15.701 -4.299 1.00 0.00 C ATOM 387 CG PRO A 25 -4.146 -15.309 -3.542 1.00 0.00 C ATOM 388 CD PRO A 25 -3.703 -14.558 -2.311 1.00 0.00 C ATOM 0 HA PRO A 25 -0.848 -15.065 -3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.099 -15.705 -5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.590 -16.705 -4.028 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.793 -14.685 -4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.723 -16.191 -3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.328 -13.682 -2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.770 -15.182 -1.420 1.00 0.00 H new ATOM 396 N ILE A 26 -1.436 -13.812 -6.165 1.00 0.00 N ATOM 397 CA ILE A 26 -1.385 -12.759 -7.231 1.00 0.00 C ATOM 398 C ILE A 26 -2.796 -12.223 -7.525 1.00 0.00 C ATOM 399 O ILE A 26 -3.788 -12.888 -7.288 1.00 0.00 O ATOM 400 CB ILE A 26 -0.800 -13.465 -8.466 1.00 0.00 C ATOM 401 CG1 ILE A 26 0.710 -13.662 -8.281 1.00 0.00 C ATOM 402 CG2 ILE A 26 -1.049 -12.630 -9.727 1.00 0.00 C ATOM 403 CD1 ILE A 26 1.404 -12.306 -8.113 1.00 0.00 C ATOM 0 H ILE A 26 -1.137 -14.740 -6.464 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.782 -11.901 -6.932 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.288 -14.433 -8.577 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.898 -14.286 -7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.124 -14.186 -9.142 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.629 -13.143 -10.592 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.121 -12.497 -9.869 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.574 -11.655 -9.618 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.475 -12.459 -7.982 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.230 -11.696 -8.999 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.001 -11.797 -7.237 1.00 0.00 H new ATOM 415 N GLY A 27 -2.882 -11.025 -8.045 1.00 0.00 N ATOM 416 CA GLY A 27 -4.216 -10.429 -8.364 1.00 0.00 C ATOM 417 C GLY A 27 -4.724 -9.631 -7.158 1.00 0.00 C ATOM 418 O GLY A 27 -5.475 -10.145 -6.351 1.00 0.00 O ATOM 0 H GLY A 27 -2.082 -10.431 -8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.136 -9.779 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.926 -11.216 -8.617 1.00 0.00 H new ATOM 422 N PRO A 28 -4.295 -8.392 -7.076 1.00 0.00 N ATOM 423 CA PRO A 28 -4.711 -7.508 -5.952 1.00 0.00 C ATOM 424 C PRO A 28 -6.171 -7.048 -6.109 1.00 0.00 C ATOM 425 O PRO A 28 -6.803 -6.649 -5.149 1.00 0.00 O ATOM 426 CB PRO A 28 -3.754 -6.324 -6.057 1.00 0.00 C ATOM 427 CG PRO A 28 -3.324 -6.291 -7.489 1.00 0.00 C ATOM 428 CD PRO A 28 -3.392 -7.704 -8.010 1.00 0.00 C ATOM 0 HA PRO A 28 -4.667 -8.010 -4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.246 -5.394 -5.772 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.899 -6.449 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.973 -5.636 -8.070 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.311 -5.897 -7.577 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.776 -7.734 -9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.407 -8.170 -8.027 1.00 0.00 H new ATOM 436 N TYR A 29 -6.710 -7.094 -7.305 1.00 0.00 N ATOM 437 CA TYR A 29 -8.125 -6.653 -7.514 1.00 0.00 C ATOM 438 C TYR A 29 -9.099 -7.803 -7.215 1.00 0.00 C ATOM 439 O TYR A 29 -9.985 -8.098 -7.996 1.00 0.00 O ATOM 440 CB TYR A 29 -8.188 -6.247 -8.993 1.00 0.00 C ATOM 441 CG TYR A 29 -9.212 -5.150 -9.199 1.00 0.00 C ATOM 442 CD1 TYR A 29 -9.277 -4.064 -8.313 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.090 -5.215 -10.288 1.00 0.00 C ATOM 444 CE1 TYR A 29 -10.218 -3.049 -8.519 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.032 -4.200 -10.492 1.00 0.00 C ATOM 446 CZ TYR A 29 -11.096 -3.117 -9.607 1.00 0.00 C ATOM 447 OH TYR A 29 -12.021 -2.113 -9.810 1.00 0.00 O ATOM 0 H TYR A 29 -6.230 -7.418 -8.145 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.409 -5.835 -6.853 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.208 -5.904 -9.324 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.446 -7.113 -9.603 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.601 -4.011 -7.472 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.040 -6.050 -10.972 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.267 -2.212 -7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.709 -4.252 -11.332 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.551 -2.314 -10.609 1.00 0.00 H new ATOM 457 N ASN A 30 -8.942 -8.451 -6.087 1.00 0.00 N ATOM 458 CA ASN A 30 -9.849 -9.581 -5.730 1.00 0.00 C ATOM 459 C ASN A 30 -10.239 -9.508 -4.244 1.00 0.00 C ATOM 460 O ASN A 30 -10.279 -10.510 -3.554 1.00 0.00 O ATOM 461 CB ASN A 30 -9.032 -10.845 -6.013 1.00 0.00 C ATOM 462 CG ASN A 30 -8.988 -11.101 -7.522 1.00 0.00 C ATOM 463 OD1 ASN A 30 -10.001 -11.375 -8.133 1.00 0.00 O ATOM 464 ND2 ASN A 30 -7.849 -11.019 -8.153 1.00 0.00 N ATOM 0 H ASN A 30 -8.221 -8.243 -5.396 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.779 -9.559 -6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.020 -10.731 -5.624 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.476 -11.699 -5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.810 -11.185 -9.159 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.998 -10.789 -7.641 1.00 0.00 H new ATOM 471 N GLY A 31 -10.528 -8.329 -3.750 1.00 0.00 N ATOM 472 CA GLY A 31 -10.914 -8.188 -2.311 1.00 0.00 C ATOM 473 C GLY A 31 -11.921 -7.044 -2.137 1.00 0.00 C ATOM 474 O GLY A 31 -11.877 -6.318 -1.160 1.00 0.00 O ATOM 0 H GLY A 31 -10.513 -7.458 -4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.348 -9.121 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.027 -7.995 -1.707 1.00 0.00 H new ATOM 478 N CYS A 32 -12.832 -6.890 -3.068 1.00 0.00 N ATOM 479 CA CYS A 32 -13.858 -5.804 -2.968 1.00 0.00 C ATOM 480 C CYS A 32 -14.833 -5.891 -4.153 1.00 0.00 C ATOM 481 O CYS A 32 -14.437 -5.671 -5.282 1.00 0.00 O ATOM 482 CB CYS A 32 -13.081 -4.484 -3.043 1.00 0.00 C ATOM 483 SG CYS A 32 -14.245 -3.111 -2.848 1.00 0.00 S ATOM 0 H CYS A 32 -12.909 -7.475 -3.900 1.00 0.00 H new ATOM 0 HA CYS A 32 -14.437 -5.886 -2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.321 -4.448 -2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.561 -4.406 -3.998 1.00 0.00 H new ATOM 488 N PRO A 33 -16.079 -6.199 -3.867 1.00 0.00 N ATOM 489 CA PRO A 33 -17.100 -6.290 -4.946 1.00 0.00 C ATOM 490 C PRO A 33 -17.411 -4.892 -5.509 1.00 0.00 C ATOM 491 O PRO A 33 -17.323 -3.898 -4.811 1.00 0.00 O ATOM 492 CB PRO A 33 -18.317 -6.889 -4.243 1.00 0.00 C ATOM 493 CG PRO A 33 -18.140 -6.536 -2.801 1.00 0.00 C ATOM 494 CD PRO A 33 -16.656 -6.494 -2.544 1.00 0.00 C ATOM 0 HA PRO A 33 -16.775 -6.890 -5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.245 -6.477 -4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.362 -7.969 -4.383 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -18.598 -5.572 -2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -18.623 -7.274 -2.160 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.398 -5.726 -1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.291 -7.443 -2.151 1.00 0.00 H new ATOM 502 N VAL A 34 -17.765 -4.813 -6.769 1.00 0.00 N ATOM 503 CA VAL A 34 -18.075 -3.485 -7.391 1.00 0.00 C ATOM 504 C VAL A 34 -19.483 -3.011 -6.990 1.00 0.00 C ATOM 505 O VAL A 34 -19.731 -1.826 -6.862 1.00 0.00 O ATOM 506 CB VAL A 34 -17.989 -3.719 -8.905 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.425 -2.455 -9.652 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.543 -4.056 -9.290 1.00 0.00 C ATOM 0 H VAL A 34 -17.853 -5.613 -7.396 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.383 -2.710 -7.061 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.646 -4.546 -9.175 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.362 -2.627 -10.726 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.453 -2.210 -9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -17.771 -1.627 -9.378 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.482 -4.222 -10.366 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -15.890 -3.228 -9.013 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.227 -4.958 -8.765 1.00 0.00 H new ATOM 518 N SER A 35 -20.403 -3.922 -6.789 1.00 0.00 N ATOM 519 CA SER A 35 -21.789 -3.518 -6.393 1.00 0.00 C ATOM 520 C SER A 35 -21.832 -3.069 -4.923 1.00 0.00 C ATOM 521 O SER A 35 -22.780 -2.436 -4.495 1.00 0.00 O ATOM 522 CB SER A 35 -22.645 -4.771 -6.596 1.00 0.00 C ATOM 523 OG SER A 35 -23.957 -4.388 -6.993 1.00 0.00 O ATOM 0 H SER A 35 -20.255 -4.927 -6.882 1.00 0.00 H new ATOM 0 HA SER A 35 -22.147 -2.675 -6.984 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.196 -5.412 -7.355 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.687 -5.350 -5.673 1.00 0.00 H new ATOM 0 HG SER A 35 -24.506 -5.189 -7.125 1.00 0.00 H new ATOM 529 N CYS A 36 -20.819 -3.399 -4.145 1.00 0.00 N ATOM 530 CA CYS A 36 -20.796 -3.008 -2.696 1.00 0.00 C ATOM 531 C CYS A 36 -22.031 -3.572 -1.973 1.00 0.00 C ATOM 532 O CYS A 36 -22.526 -2.994 -1.021 1.00 0.00 O ATOM 533 CB CYS A 36 -20.802 -1.474 -2.670 1.00 0.00 C ATOM 534 SG CYS A 36 -19.502 -0.830 -3.757 1.00 0.00 S ATOM 0 H CYS A 36 -20.003 -3.926 -4.457 1.00 0.00 H new ATOM 0 HA CYS A 36 -19.919 -3.406 -2.186 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -21.774 -1.101 -2.991 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -20.645 -1.119 -1.652 1.00 0.00 H new ATOM 539 N ARG A 37 -22.527 -4.699 -2.424 1.00 0.00 N ATOM 540 CA ARG A 37 -23.724 -5.313 -1.779 1.00 0.00 C ATOM 541 C ARG A 37 -23.339 -6.629 -1.099 1.00 0.00 C ATOM 542 O ARG A 37 -22.383 -7.279 -1.484 1.00 0.00 O ATOM 543 CB ARG A 37 -24.714 -5.570 -2.923 1.00 0.00 C ATOM 544 CG ARG A 37 -24.962 -4.271 -3.698 1.00 0.00 C ATOM 545 CD ARG A 37 -26.431 -4.195 -4.124 1.00 0.00 C ATOM 546 NE ARG A 37 -27.125 -3.486 -3.010 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.416 -3.605 -2.867 1.00 0.00 C ATOM 548 NH1 ARG A 37 -29.222 -2.855 -3.572 1.00 0.00 N ATOM 549 NH2 ARG A 37 -28.900 -4.476 -2.020 1.00 0.00 N ATOM 0 H ARG A 37 -22.150 -5.221 -3.215 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.152 -4.668 -1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.319 -6.334 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.654 -5.951 -2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -24.709 -3.412 -3.077 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -24.317 -4.231 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -26.541 -3.654 -5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -26.848 -5.190 -4.278 1.00 0.00 H new ATOM 0 HE ARG A 37 -26.591 -2.909 -2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -28.841 -2.178 -4.233 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -30.232 -2.947 -3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -28.268 -5.061 -1.473 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -29.909 -4.571 -1.907 1.00 0.00 H new ATOM 563 N GLY A 38 -24.073 -7.026 -0.091 1.00 0.00 N ATOM 564 CA GLY A 38 -23.754 -8.301 0.621 1.00 0.00 C ATOM 565 C GLY A 38 -22.490 -8.126 1.472 1.00 0.00 C ATOM 566 O GLY A 38 -21.709 -9.046 1.623 1.00 0.00 O ATOM 0 H GLY A 38 -24.882 -6.521 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.591 -8.592 1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.607 -9.104 -0.102 1.00 0.00 H new ATOM 570 N ILE A 39 -22.286 -6.956 2.033 1.00 0.00 N ATOM 571 CA ILE A 39 -21.078 -6.719 2.882 1.00 0.00 C ATOM 572 C ILE A 39 -21.458 -5.878 4.104 1.00 0.00 C ATOM 573 O ILE A 39 -22.488 -5.229 4.126 1.00 0.00 O ATOM 574 CB ILE A 39 -20.073 -5.962 1.998 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.649 -4.596 1.600 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.766 -6.779 0.739 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.652 -3.856 0.705 1.00 0.00 C ATOM 0 H ILE A 39 -22.908 -6.153 1.938 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.652 -7.654 3.247 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.152 -5.811 2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.595 -4.729 1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.860 -4.006 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -19.053 -6.236 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -19.340 -7.741 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.686 -6.942 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.065 -2.887 0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.717 -3.710 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.464 -4.444 -0.193 1.00 0.00 H new ATOM 589 N SER A 40 -20.632 -5.884 5.117 1.00 0.00 N ATOM 590 CA SER A 40 -20.935 -5.085 6.337 1.00 0.00 C ATOM 591 C SER A 40 -20.556 -3.622 6.110 1.00 0.00 C ATOM 592 O SER A 40 -19.777 -3.306 5.229 1.00 0.00 O ATOM 593 CB SER A 40 -20.067 -5.689 7.445 1.00 0.00 C ATOM 594 OG SER A 40 -20.195 -7.103 7.433 1.00 0.00 O ATOM 0 H SER A 40 -19.759 -6.410 5.150 1.00 0.00 H new ATOM 0 HA SER A 40 -21.995 -5.113 6.591 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.024 -5.407 7.299 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.371 -5.294 8.415 1.00 0.00 H new ATOM 0 HG SER A 40 -19.638 -7.488 8.141 1.00 0.00 H new ATOM 600 N PHE A 41 -21.089 -2.728 6.906 1.00 0.00 N ATOM 601 CA PHE A 41 -20.742 -1.282 6.746 1.00 0.00 C ATOM 602 C PHE A 41 -19.229 -1.102 6.901 1.00 0.00 C ATOM 603 O PHE A 41 -18.600 -0.401 6.132 1.00 0.00 O ATOM 604 CB PHE A 41 -21.495 -0.554 7.866 1.00 0.00 C ATOM 605 CG PHE A 41 -21.517 0.930 7.582 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.412 1.450 6.638 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.643 1.787 8.263 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.432 2.825 6.374 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.664 3.163 8.000 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.558 3.682 7.056 1.00 0.00 C ATOM 0 H PHE A 41 -21.747 -2.936 7.657 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.018 -0.891 5.767 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.513 -0.935 7.940 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.013 -0.744 8.825 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -23.087 0.790 6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -19.953 1.387 8.991 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -23.121 3.225 5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -19.990 3.823 8.526 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.574 4.743 6.853 1.00 0.00 H new ATOM 620 N SER A 42 -18.641 -1.750 7.881 1.00 0.00 N ATOM 621 CA SER A 42 -17.164 -1.640 8.082 1.00 0.00 C ATOM 622 C SER A 42 -16.429 -2.253 6.884 1.00 0.00 C ATOM 623 O SER A 42 -15.426 -1.733 6.434 1.00 0.00 O ATOM 624 CB SER A 42 -16.863 -2.427 9.360 1.00 0.00 C ATOM 625 OG SER A 42 -15.673 -1.923 9.958 1.00 0.00 O ATOM 0 H SER A 42 -19.123 -2.350 8.550 1.00 0.00 H new ATOM 0 HA SER A 42 -16.836 -0.604 8.167 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.697 -2.343 10.057 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.747 -3.486 9.129 1.00 0.00 H new ATOM 0 HG SER A 42 -15.481 -2.425 10.777 1.00 0.00 H new ATOM 631 N GLN A 43 -16.935 -3.346 6.356 1.00 0.00 N ATOM 632 CA GLN A 43 -16.280 -3.987 5.174 1.00 0.00 C ATOM 633 C GLN A 43 -16.344 -3.037 3.973 1.00 0.00 C ATOM 634 O GLN A 43 -15.367 -2.839 3.275 1.00 0.00 O ATOM 635 CB GLN A 43 -17.094 -5.259 4.903 1.00 0.00 C ATOM 636 CG GLN A 43 -16.195 -6.326 4.270 1.00 0.00 C ATOM 637 CD GLN A 43 -15.204 -6.854 5.313 1.00 0.00 C ATOM 638 OE1 GLN A 43 -15.602 -7.324 6.360 1.00 0.00 O ATOM 639 NE2 GLN A 43 -13.923 -6.795 5.070 1.00 0.00 N ATOM 0 H GLN A 43 -17.773 -3.819 6.695 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.229 -4.215 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.520 -5.634 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.929 -5.033 4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.803 -7.145 3.885 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.655 -5.904 3.423 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.588 -6.400 4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.257 -7.143 5.759 1.00 0.00 H new ATOM 648 N ALA A 44 -17.486 -2.434 3.746 1.00 0.00 N ATOM 649 CA ALA A 44 -17.616 -1.474 2.607 1.00 0.00 C ATOM 650 C ALA A 44 -16.769 -0.231 2.898 1.00 0.00 C ATOM 651 O ALA A 44 -16.161 0.342 2.012 1.00 0.00 O ATOM 652 CB ALA A 44 -19.106 -1.122 2.544 1.00 0.00 C ATOM 0 H ALA A 44 -18.332 -2.565 4.300 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.270 -1.889 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.280 -0.419 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.687 -2.028 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.413 -0.668 3.486 1.00 0.00 H new ATOM 658 N ARG A 45 -16.710 0.167 4.146 1.00 0.00 N ATOM 659 CA ARG A 45 -15.888 1.351 4.530 1.00 0.00 C ATOM 660 C ARG A 45 -14.402 1.049 4.298 1.00 0.00 C ATOM 661 O ARG A 45 -13.635 1.912 3.909 1.00 0.00 O ATOM 662 CB ARG A 45 -16.156 1.554 6.024 1.00 0.00 C ATOM 663 CG ARG A 45 -17.244 2.615 6.213 1.00 0.00 C ATOM 664 CD ARG A 45 -17.096 3.260 7.595 1.00 0.00 C ATOM 665 NE ARG A 45 -15.749 3.903 7.584 1.00 0.00 N ATOM 666 CZ ARG A 45 -15.027 3.926 8.674 1.00 0.00 C ATOM 667 NH1 ARG A 45 -15.167 4.906 9.527 1.00 0.00 N ATOM 668 NH2 ARG A 45 -14.163 2.971 8.907 1.00 0.00 N ATOM 0 H ARG A 45 -17.201 -0.283 4.919 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.138 2.236 3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.468 0.614 6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.241 1.864 6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.165 3.375 5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -18.230 2.161 6.116 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.882 3.994 7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.170 2.515 8.387 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.392 4.324 6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.839 5.651 9.342 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.605 4.926 10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.053 2.209 8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.600 2.989 9.757 1.00 0.00 H new ATOM 682 N SER A 46 -13.998 -0.176 4.544 1.00 0.00 N ATOM 683 CA SER A 46 -12.567 -0.565 4.357 1.00 0.00 C ATOM 684 C SER A 46 -12.145 -0.438 2.887 1.00 0.00 C ATOM 685 O SER A 46 -11.107 0.119 2.586 1.00 0.00 O ATOM 686 CB SER A 46 -12.493 -2.026 4.808 1.00 0.00 C ATOM 687 OG SER A 46 -11.187 -2.304 5.297 1.00 0.00 O ATOM 0 H SER A 46 -14.606 -0.928 4.869 1.00 0.00 H new ATOM 0 HA SER A 46 -11.897 0.081 4.925 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.233 -2.216 5.586 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.730 -2.688 3.975 1.00 0.00 H new ATOM 0 HG SER A 46 -11.139 -3.239 5.588 1.00 0.00 H new ATOM 693 N CYS A 47 -12.931 -0.957 1.970 1.00 0.00 N ATOM 694 CA CYS A 47 -12.549 -0.863 0.523 1.00 0.00 C ATOM 695 C CYS A 47 -12.573 0.590 0.040 1.00 0.00 C ATOM 696 O CYS A 47 -11.786 0.974 -0.801 1.00 0.00 O ATOM 697 CB CYS A 47 -13.574 -1.692 -0.252 1.00 0.00 C ATOM 698 SG CYS A 47 -13.146 -1.643 -2.012 1.00 0.00 S ATOM 0 H CYS A 47 -13.811 -1.437 2.159 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.536 -1.234 0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.578 -2.721 0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.577 -1.296 -0.096 1.00 0.00 H new ATOM 703 N CYS A 48 -13.467 1.402 0.555 1.00 0.00 N ATOM 704 CA CYS A 48 -13.519 2.832 0.105 1.00 0.00 C ATOM 705 C CYS A 48 -12.168 3.512 0.349 1.00 0.00 C ATOM 706 O CYS A 48 -11.681 4.254 -0.479 1.00 0.00 O ATOM 707 CB CYS A 48 -14.607 3.490 0.950 1.00 0.00 C ATOM 708 SG CYS A 48 -14.684 5.259 0.574 1.00 0.00 S ATOM 0 H CYS A 48 -14.156 1.141 1.260 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.733 2.915 -0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.571 3.023 0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.398 3.342 2.009 1.00 0.00 H new ATOM 713 N SER A 49 -11.555 3.256 1.475 1.00 0.00 N ATOM 714 CA SER A 49 -10.229 3.882 1.762 1.00 0.00 C ATOM 715 C SER A 49 -9.101 3.055 1.133 1.00 0.00 C ATOM 716 O SER A 49 -8.038 3.568 0.839 1.00 0.00 O ATOM 717 CB SER A 49 -10.107 3.886 3.285 1.00 0.00 C ATOM 718 OG SER A 49 -9.030 4.732 3.666 1.00 0.00 O ATOM 0 H SER A 49 -11.913 2.642 2.207 1.00 0.00 H new ATOM 0 HA SER A 49 -10.153 4.887 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.036 4.235 3.735 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.937 2.873 3.651 1.00 0.00 H new ATOM 0 HG SER A 49 -8.949 4.739 4.643 1.00 0.00 H new ATOM 724 N ARG A 50 -9.321 1.780 0.930 1.00 0.00 N ATOM 725 CA ARG A 50 -8.263 0.912 0.329 1.00 0.00 C ATOM 726 C ARG A 50 -8.201 1.087 -1.195 1.00 0.00 C ATOM 727 O ARG A 50 -7.139 1.028 -1.784 1.00 0.00 O ATOM 728 CB ARG A 50 -8.676 -0.521 0.686 1.00 0.00 C ATOM 729 CG ARG A 50 -7.589 -1.504 0.236 1.00 0.00 C ATOM 730 CD ARG A 50 -8.207 -2.890 0.011 1.00 0.00 C ATOM 731 NE ARG A 50 -8.055 -3.605 1.312 1.00 0.00 N ATOM 732 CZ ARG A 50 -8.149 -4.908 1.358 1.00 0.00 C ATOM 733 NH1 ARG A 50 -7.129 -5.647 1.006 1.00 0.00 N ATOM 734 NH2 ARG A 50 -9.260 -5.469 1.755 1.00 0.00 N ATOM 0 H ARG A 50 -10.193 1.301 1.156 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.273 1.165 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.833 -0.606 1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.623 -0.767 0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.122 -1.150 -0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.804 -1.563 0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.256 -2.811 -0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.697 -3.422 -0.792 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.878 -3.076 2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.263 -5.206 0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.200 -6.664 1.041 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.054 -4.890 2.029 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.333 -6.486 1.791 1.00 0.00 H new ATOM 748 N LEU A 51 -9.328 1.278 -1.844 1.00 0.00 N ATOM 749 CA LEU A 51 -9.316 1.427 -3.335 1.00 0.00 C ATOM 750 C LEU A 51 -10.317 2.487 -3.825 1.00 0.00 C ATOM 751 O LEU A 51 -10.580 2.582 -5.010 1.00 0.00 O ATOM 752 CB LEU A 51 -9.721 0.047 -3.859 1.00 0.00 C ATOM 753 CG LEU A 51 -8.470 -0.747 -4.241 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.724 -2.238 -4.009 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.141 -0.507 -5.718 1.00 0.00 C ATOM 0 H LEU A 51 -10.248 1.337 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.339 1.757 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.286 -0.490 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.374 0.153 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.631 -0.421 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.834 -2.805 -4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.956 -2.408 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.563 -2.564 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.250 -1.073 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.979 -0.832 -6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.960 0.555 -5.883 1.00 0.00 H new ATOM 767 N GLY A 52 -10.879 3.280 -2.945 1.00 0.00 N ATOM 768 CA GLY A 52 -11.859 4.317 -3.393 1.00 0.00 C ATOM 769 C GLY A 52 -13.132 3.643 -3.933 1.00 0.00 C ATOM 770 O GLY A 52 -13.824 4.198 -4.764 1.00 0.00 O ATOM 0 H GLY A 52 -10.702 3.254 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.111 4.974 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.412 4.941 -4.167 1.00 0.00 H new ATOM 774 N ARG A 53 -13.444 2.453 -3.471 1.00 0.00 N ATOM 775 CA ARG A 53 -14.670 1.753 -3.964 1.00 0.00 C ATOM 776 C ARG A 53 -15.688 1.588 -2.831 1.00 0.00 C ATOM 777 O ARG A 53 -15.334 1.338 -1.696 1.00 0.00 O ATOM 778 CB ARG A 53 -14.184 0.387 -4.451 1.00 0.00 C ATOM 779 CG ARG A 53 -13.771 0.483 -5.924 1.00 0.00 C ATOM 780 CD ARG A 53 -14.559 -0.541 -6.751 1.00 0.00 C ATOM 781 NE ARG A 53 -13.524 -1.407 -7.388 1.00 0.00 N ATOM 782 CZ ARG A 53 -13.075 -2.460 -6.759 1.00 0.00 C ATOM 783 NH1 ARG A 53 -12.086 -2.337 -5.915 1.00 0.00 N ATOM 784 NH2 ARG A 53 -13.613 -3.631 -6.976 1.00 0.00 N ATOM 0 H ARG A 53 -12.902 1.940 -2.776 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.168 2.314 -4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.340 0.054 -3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.974 -0.355 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.958 1.489 -6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.701 0.300 -6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.228 -1.126 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.178 -0.049 -7.502 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.167 -1.176 -8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.668 -1.422 -5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.732 -3.156 -5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.384 -3.723 -7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.262 -4.453 -6.484 1.00 0.00 H new ATOM 798 N CYS A 54 -16.952 1.744 -3.147 1.00 0.00 N ATOM 799 CA CYS A 54 -18.044 1.622 -2.123 1.00 0.00 C ATOM 800 C CYS A 54 -17.911 2.766 -1.118 1.00 0.00 C ATOM 801 O CYS A 54 -17.812 2.561 0.078 1.00 0.00 O ATOM 802 CB CYS A 54 -17.862 0.255 -1.443 1.00 0.00 C ATOM 803 SG CYS A 54 -17.796 -1.055 -2.694 1.00 0.00 S ATOM 0 H CYS A 54 -17.281 1.955 -4.089 1.00 0.00 H new ATOM 0 HA CYS A 54 -19.037 1.685 -2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.946 0.252 -0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.686 0.070 -0.754 1.00 0.00 H new ATOM 808 N CYS A 55 -17.888 3.973 -1.614 1.00 0.00 N ATOM 809 CA CYS A 55 -17.737 5.160 -0.730 1.00 0.00 C ATOM 810 C CYS A 55 -19.076 5.886 -0.517 1.00 0.00 C ATOM 811 O CYS A 55 -19.137 6.876 0.188 1.00 0.00 O ATOM 812 CB CYS A 55 -16.752 6.055 -1.483 1.00 0.00 C ATOM 813 SG CYS A 55 -15.093 5.334 -1.402 1.00 0.00 S ATOM 0 H CYS A 55 -17.969 4.188 -2.608 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.392 4.887 0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.063 6.162 -2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.747 7.054 -1.048 1.00 0.00 H new ATOM 818 N HIS A 56 -20.148 5.415 -1.115 1.00 0.00 N ATOM 819 CA HIS A 56 -21.463 6.093 -0.934 1.00 0.00 C ATOM 820 C HIS A 56 -22.581 5.059 -0.717 1.00 0.00 C ATOM 821 O HIS A 56 -23.612 5.101 -1.365 1.00 0.00 O ATOM 822 CB HIS A 56 -21.682 6.872 -2.234 1.00 0.00 C ATOM 823 CG HIS A 56 -22.611 8.027 -1.978 1.00 0.00 C ATOM 824 ND1 HIS A 56 -23.934 7.843 -1.606 1.00 0.00 N ATOM 825 CD2 HIS A 56 -22.422 9.386 -2.030 1.00 0.00 C ATOM 826 CE1 HIS A 56 -24.484 9.060 -1.448 1.00 0.00 C ATOM 827 NE2 HIS A 56 -23.606 10.036 -1.694 1.00 0.00 N ATOM 0 H HIS A 56 -20.164 4.592 -1.718 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.476 6.744 -0.060 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.729 7.237 -2.617 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.102 6.216 -2.997 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -24.405 6.947 -1.476 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -21.496 9.876 -2.292 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -25.511 9.228 -1.158 1.00 0.00 H new ATOM 835 N VAL A 57 -22.390 4.136 0.191 1.00 0.00 N ATOM 836 CA VAL A 57 -23.447 3.108 0.451 1.00 0.00 C ATOM 837 C VAL A 57 -24.327 3.538 1.634 1.00 0.00 C ATOM 838 O VAL A 57 -23.838 4.015 2.642 1.00 0.00 O ATOM 839 CB VAL A 57 -22.687 1.818 0.781 1.00 0.00 C ATOM 840 CG1 VAL A 57 -23.678 0.718 1.176 1.00 0.00 C ATOM 841 CG2 VAL A 57 -21.899 1.367 -0.450 1.00 0.00 C ATOM 0 H VAL A 57 -21.550 4.048 0.763 1.00 0.00 H new ATOM 0 HA VAL A 57 -24.109 2.976 -0.404 1.00 0.00 H new ATOM 0 HB VAL A 57 -22.005 2.004 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.133 -0.196 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.245 1.036 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.363 0.531 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.357 0.450 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.587 1.184 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -21.191 2.145 -0.734 1.00 0.00 H new ATOM 851 N GLY A 58 -25.622 3.366 1.516 1.00 0.00 N ATOM 852 CA GLY A 58 -26.542 3.757 2.626 1.00 0.00 C ATOM 853 C GLY A 58 -27.019 5.200 2.430 1.00 0.00 C ATOM 854 O GLY A 58 -26.500 5.933 1.606 1.00 0.00 O ATOM 0 H GLY A 58 -26.081 2.970 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -27.398 3.083 2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -26.030 3.662 3.584 1.00 0.00 H new ATOM 858 N LYS A 59 -28.007 5.612 3.185 1.00 0.00 N ATOM 859 CA LYS A 59 -28.530 7.005 3.060 1.00 0.00 C ATOM 860 C LYS A 59 -28.632 7.654 4.446 1.00 0.00 C ATOM 861 O LYS A 59 -29.569 7.415 5.185 1.00 0.00 O ATOM 862 CB LYS A 59 -29.920 6.855 2.428 1.00 0.00 C ATOM 863 CG LYS A 59 -29.879 7.331 0.972 1.00 0.00 C ATOM 864 CD LYS A 59 -29.718 6.127 0.041 1.00 0.00 C ATOM 865 CE LYS A 59 -29.425 6.615 -1.384 1.00 0.00 C ATOM 866 NZ LYS A 59 -27.944 6.792 -1.445 1.00 0.00 N ATOM 0 H LYS A 59 -28.476 5.039 3.886 1.00 0.00 H new ATOM 0 HA LYS A 59 -27.880 7.640 2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -30.240 5.814 2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -30.651 7.436 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -30.794 7.871 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -29.052 8.026 0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -28.907 5.489 0.392 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -30.625 5.523 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -29.765 5.891 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -29.942 7.552 -1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -27.673 7.125 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -27.648 7.492 -0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -27.477 5.883 -1.251 1.00 0.00 H new ATOM 880 N GLY A 60 -27.670 8.470 4.803 1.00 0.00 N ATOM 881 CA GLY A 60 -27.700 9.136 6.140 1.00 0.00 C ATOM 882 C GLY A 60 -27.298 8.131 7.221 1.00 0.00 C ATOM 883 O GLY A 60 -28.101 7.340 7.677 1.00 0.00 O ATOM 0 H GLY A 60 -26.864 8.703 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -27.019 9.987 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -28.698 9.524 6.342 1.00 0.00 H new ATOM 887 N TYR A 61 -26.060 8.162 7.635 1.00 0.00 N ATOM 888 CA TYR A 61 -25.593 7.212 8.688 1.00 0.00 C ATOM 889 C TYR A 61 -25.749 7.834 10.083 1.00 0.00 C ATOM 890 O TYR A 61 -25.859 9.038 10.227 1.00 0.00 O ATOM 891 CB TYR A 61 -24.115 6.957 8.371 1.00 0.00 C ATOM 892 CG TYR A 61 -23.586 5.872 9.279 1.00 0.00 C ATOM 893 CD1 TYR A 61 -24.005 4.548 9.105 1.00 0.00 C ATOM 894 CD2 TYR A 61 -22.685 6.194 10.300 1.00 0.00 C ATOM 895 CE1 TYR A 61 -23.521 3.545 9.952 1.00 0.00 C ATOM 896 CE2 TYR A 61 -22.202 5.191 11.147 1.00 0.00 C ATOM 897 CZ TYR A 61 -22.620 3.867 10.973 1.00 0.00 C ATOM 898 OH TYR A 61 -22.145 2.879 11.808 1.00 0.00 O ATOM 0 H TYR A 61 -25.349 8.806 7.289 1.00 0.00 H new ATOM 0 HA TYR A 61 -26.173 6.289 8.692 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -24.001 6.661 7.328 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -23.539 7.873 8.507 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -24.701 4.301 8.317 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -22.363 7.216 10.434 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -23.843 2.523 9.818 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -21.506 5.439 11.935 1.00 0.00 H new ATOM 0 HH TYR A 61 -21.528 3.271 12.461 1.00 0.00 H new ATOM 908 N SER A 62 -25.761 7.017 11.108 1.00 0.00 N ATOM 909 CA SER A 62 -25.910 7.547 12.500 1.00 0.00 C ATOM 910 C SER A 62 -24.621 8.239 12.959 1.00 0.00 C ATOM 911 O SER A 62 -23.614 8.220 12.275 1.00 0.00 O ATOM 912 CB SER A 62 -26.197 6.321 13.374 1.00 0.00 C ATOM 913 OG SER A 62 -25.211 5.322 13.134 1.00 0.00 O ATOM 0 H SER A 62 -25.674 6.003 11.040 1.00 0.00 H new ATOM 0 HA SER A 62 -26.706 8.289 12.564 1.00 0.00 H new ATOM 0 HB2 SER A 62 -26.194 6.604 14.427 1.00 0.00 H new ATOM 0 HB3 SER A 62 -27.189 5.928 13.152 1.00 0.00 H new ATOM 0 HG SER A 62 -25.395 4.539 13.695 1.00 0.00 H new ATOM 919 N GLY A 63 -24.653 8.847 14.116 1.00 0.00 N ATOM 920 CA GLY A 63 -23.443 9.545 14.639 1.00 0.00 C ATOM 921 C GLY A 63 -23.335 10.933 14.002 1.00 0.00 C ATOM 922 O GLY A 63 -22.371 11.164 13.292 1.00 0.00 O ATOM 923 OXT GLY A 63 -24.219 11.741 14.236 1.00 0.00 O ATOM 0 H GLY A 63 -25.471 8.890 14.724 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -23.503 9.635 15.724 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -22.550 8.961 14.417 1.00 0.00 H new TER 927 GLY A 63