USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 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= 0.672 K(o=0.67,f=-5.1!) USER MOD Single : A 1 GLN N :NH3+ 160:sc= 1.08 (180deg=0.757) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 90:sc= 0.88 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc=-0.00813 USER MOD Single : A 40 SER OG : rot 180:sc= -0.135 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.0013) 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= 0.41 K(o=0.41,f=-1.8) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0.0555 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0015 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -47.723 -9.735 -41.890 1.00 0.00 N ATOM 2 CA GLN A 1 -46.428 -9.089 -42.268 1.00 0.00 C ATOM 3 C GLN A 1 -45.248 -9.957 -41.816 1.00 0.00 C ATOM 4 O GLN A 1 -45.423 -10.982 -41.185 1.00 0.00 O ATOM 5 CB GLN A 1 -46.412 -7.743 -41.534 1.00 0.00 C ATOM 6 CG GLN A 1 -47.123 -6.682 -42.382 1.00 0.00 C ATOM 7 CD GLN A 1 -48.560 -6.503 -41.884 1.00 0.00 C ATOM 8 OE1 GLN A 1 -49.351 -7.426 -41.935 1.00 0.00 O ATOM 9 NE2 GLN A 1 -48.936 -5.349 -41.403 1.00 0.00 N ATOM 0 H1 GLN A 1 -48.479 -9.020 -41.884 1.00 0.00 H new ATOM 0 H2 GLN A 1 -47.955 -10.478 -42.580 1.00 0.00 H new ATOM 0 H3 GLN A 1 -47.637 -10.156 -40.943 1.00 0.00 H new ATOM 0 HA GLN A 1 -46.338 -8.963 -43.347 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -46.905 -7.840 -40.567 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -45.384 -7.437 -41.338 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -46.586 -5.735 -42.322 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -47.125 -6.982 -43.430 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -48.274 -4.574 -41.360 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -49.892 -5.222 -41.071 1.00 0.00 H new ATOM 20 N VAL A 2 -44.049 -9.544 -42.135 1.00 0.00 N ATOM 21 CA VAL A 2 -42.843 -10.335 -41.727 1.00 0.00 C ATOM 22 C VAL A 2 -42.525 -10.094 -40.245 1.00 0.00 C ATOM 23 O VAL A 2 -42.808 -9.040 -39.704 1.00 0.00 O ATOM 24 CB VAL A 2 -41.688 -9.844 -42.619 1.00 0.00 C ATOM 25 CG1 VAL A 2 -41.982 -10.191 -44.082 1.00 0.00 C ATOM 26 CG2 VAL A 2 -41.515 -8.324 -42.483 1.00 0.00 C ATOM 0 H VAL A 2 -43.850 -8.693 -42.661 1.00 0.00 H new ATOM 0 HA VAL A 2 -43.006 -11.406 -41.849 1.00 0.00 H new ATOM 0 HB VAL A 2 -40.769 -10.336 -42.301 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -41.163 -9.842 -44.710 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -42.085 -11.271 -44.186 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -42.908 -9.707 -44.392 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -40.695 -7.993 -43.120 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -42.435 -7.824 -42.787 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -41.292 -8.075 -41.446 1.00 0.00 H new ATOM 36 N TYR A 3 -41.943 -11.066 -39.587 1.00 0.00 N ATOM 37 CA TYR A 3 -41.605 -10.905 -38.138 1.00 0.00 C ATOM 38 C TYR A 3 -40.543 -11.931 -37.716 1.00 0.00 C ATOM 39 O TYR A 3 -40.220 -12.846 -38.452 1.00 0.00 O ATOM 40 CB TYR A 3 -42.924 -11.143 -37.384 1.00 0.00 C ATOM 41 CG TYR A 3 -43.324 -12.601 -37.475 1.00 0.00 C ATOM 42 CD1 TYR A 3 -44.101 -13.048 -38.551 1.00 0.00 C ATOM 43 CD2 TYR A 3 -42.917 -13.501 -36.483 1.00 0.00 C ATOM 44 CE1 TYR A 3 -44.470 -14.396 -38.634 1.00 0.00 C ATOM 45 CE2 TYR A 3 -43.286 -14.848 -36.567 1.00 0.00 C ATOM 46 CZ TYR A 3 -44.062 -15.295 -37.642 1.00 0.00 C ATOM 47 OH TYR A 3 -44.424 -16.624 -37.723 1.00 0.00 O ATOM 0 H TYR A 3 -41.687 -11.966 -39.992 1.00 0.00 H new ATOM 0 HA TYR A 3 -41.190 -9.920 -37.923 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -42.811 -10.854 -36.339 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -43.710 -10.516 -37.805 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -44.415 -12.354 -39.316 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -42.318 -13.156 -35.653 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -45.069 -14.742 -39.463 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -42.972 -15.543 -35.802 1.00 0.00 H new ATOM 0 HH TYR A 3 -44.058 -17.110 -36.955 1.00 0.00 H new ATOM 57 N LYS A 4 -40.002 -11.784 -36.534 1.00 0.00 N ATOM 58 CA LYS A 4 -38.966 -12.747 -36.053 1.00 0.00 C ATOM 59 C LYS A 4 -39.562 -13.682 -34.992 1.00 0.00 C ATOM 60 O LYS A 4 -40.209 -13.242 -34.060 1.00 0.00 O ATOM 61 CB LYS A 4 -37.862 -11.877 -35.445 1.00 0.00 C ATOM 62 CG LYS A 4 -36.963 -11.333 -36.560 1.00 0.00 C ATOM 63 CD LYS A 4 -36.131 -10.167 -36.025 1.00 0.00 C ATOM 64 CE LYS A 4 -35.405 -9.478 -37.185 1.00 0.00 C ATOM 65 NZ LYS A 4 -34.800 -8.249 -36.594 1.00 0.00 N ATOM 0 H LYS A 4 -40.234 -11.037 -35.880 1.00 0.00 H new ATOM 0 HA LYS A 4 -38.588 -13.379 -36.856 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -38.302 -11.052 -34.884 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -37.271 -12.462 -34.740 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -36.307 -12.121 -36.929 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -37.571 -11.003 -37.402 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -36.775 -9.454 -35.511 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -35.408 -10.528 -35.294 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -34.640 -10.127 -37.612 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -36.097 -9.228 -37.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -34.286 -7.726 -37.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -35.551 -7.646 -36.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -34.140 -8.517 -35.836 1.00 0.00 H new ATOM 79 N GLY A 5 -39.345 -14.967 -35.127 1.00 0.00 N ATOM 80 CA GLY A 5 -39.895 -15.932 -34.129 1.00 0.00 C ATOM 81 C GLY A 5 -39.401 -17.347 -34.445 1.00 0.00 C ATOM 82 O GLY A 5 -38.224 -17.569 -34.660 1.00 0.00 O ATOM 0 H GLY A 5 -38.810 -15.388 -35.886 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -39.585 -15.645 -33.124 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -40.985 -15.905 -34.147 1.00 0.00 H new ATOM 86 N GLY A 6 -40.294 -18.306 -34.476 1.00 0.00 N ATOM 87 CA GLY A 6 -39.888 -19.709 -34.777 1.00 0.00 C ATOM 88 C GLY A 6 -40.149 -20.007 -36.255 1.00 0.00 C ATOM 89 O GLY A 6 -41.281 -20.177 -36.671 1.00 0.00 O ATOM 0 H GLY A 6 -41.291 -18.174 -34.305 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -38.832 -19.851 -34.547 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -40.447 -20.404 -34.150 1.00 0.00 H new ATOM 93 N TYR A 7 -39.112 -20.067 -37.054 1.00 0.00 N ATOM 94 CA TYR A 7 -39.299 -20.350 -38.509 1.00 0.00 C ATOM 95 C TYR A 7 -39.493 -21.855 -38.738 1.00 0.00 C ATOM 96 O TYR A 7 -38.539 -22.605 -38.830 1.00 0.00 O ATOM 97 CB TYR A 7 -38.014 -19.859 -39.184 1.00 0.00 C ATOM 98 CG TYR A 7 -38.274 -19.629 -40.655 1.00 0.00 C ATOM 99 CD1 TYR A 7 -38.145 -20.687 -41.562 1.00 0.00 C ATOM 100 CD2 TYR A 7 -38.648 -18.359 -41.109 1.00 0.00 C ATOM 101 CE1 TYR A 7 -38.388 -20.476 -42.924 1.00 0.00 C ATOM 102 CE2 TYR A 7 -38.891 -18.147 -42.471 1.00 0.00 C ATOM 103 CZ TYR A 7 -38.761 -19.206 -43.379 1.00 0.00 C ATOM 104 OH TYR A 7 -39.002 -18.998 -44.720 1.00 0.00 O ATOM 0 H TYR A 7 -38.145 -19.932 -36.760 1.00 0.00 H new ATOM 0 HA TYR A 7 -40.181 -19.854 -38.914 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -37.674 -18.936 -38.715 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -37.219 -20.593 -39.055 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -37.858 -21.667 -41.211 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -38.749 -17.543 -40.409 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -38.288 -21.293 -43.624 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -39.179 -17.167 -42.822 1.00 0.00 H new ATOM 0 HH TYR A 7 -39.251 -18.062 -44.866 1.00 0.00 H new ATOM 114 N ALA A 8 -40.732 -22.292 -38.829 1.00 0.00 N ATOM 115 CA ALA A 8 -41.034 -23.746 -39.054 1.00 0.00 C ATOM 116 C ALA A 8 -40.387 -24.616 -37.960 1.00 0.00 C ATOM 117 O ALA A 8 -40.988 -24.868 -36.932 1.00 0.00 O ATOM 118 CB ALA A 8 -40.468 -24.074 -40.443 1.00 0.00 C ATOM 0 H ALA A 8 -41.556 -21.695 -38.756 1.00 0.00 H new ATOM 0 HA ALA A 8 -42.103 -23.951 -39.006 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -40.654 -25.123 -40.673 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -40.953 -23.447 -41.191 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -39.395 -23.885 -40.452 1.00 0.00 H new ATOM 124 N ARG A 9 -39.172 -25.071 -38.162 1.00 0.00 N ATOM 125 CA ARG A 9 -38.503 -25.915 -37.128 1.00 0.00 C ATOM 126 C ARG A 9 -37.601 -25.046 -36.239 1.00 0.00 C ATOM 127 O ARG A 9 -36.711 -24.375 -36.733 1.00 0.00 O ATOM 128 CB ARG A 9 -37.667 -26.931 -37.914 1.00 0.00 C ATOM 129 CG ARG A 9 -37.432 -28.178 -37.055 1.00 0.00 C ATOM 130 CD ARG A 9 -36.148 -28.006 -36.236 1.00 0.00 C ATOM 131 NE ARG A 9 -36.312 -28.908 -35.060 1.00 0.00 N ATOM 132 CZ ARG A 9 -35.265 -29.453 -34.503 1.00 0.00 C ATOM 133 NH1 ARG A 9 -34.592 -28.793 -33.597 1.00 0.00 N ATOM 134 NH2 ARG A 9 -34.891 -30.656 -34.854 1.00 0.00 N ATOM 0 H ARG A 9 -38.617 -24.893 -38.999 1.00 0.00 H new ATOM 0 HA ARG A 9 -39.221 -26.406 -36.471 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -38.180 -27.204 -38.836 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -36.713 -26.489 -38.199 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -38.280 -28.338 -36.390 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -37.354 -29.060 -37.691 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -35.269 -28.277 -36.820 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -36.016 -26.970 -35.923 1.00 0.00 H new ATOM 0 HE ARG A 9 -37.243 -29.099 -34.691 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -34.886 -27.854 -33.327 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -33.773 -29.217 -33.160 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -35.417 -31.167 -35.562 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -34.073 -31.083 -34.419 1.00 0.00 H new ATOM 148 N PRO A 10 -37.857 -25.087 -34.952 1.00 0.00 N ATOM 149 CA PRO A 10 -37.052 -24.292 -33.988 1.00 0.00 C ATOM 150 C PRO A 10 -35.649 -24.896 -33.829 1.00 0.00 C ATOM 151 O PRO A 10 -35.499 -26.075 -33.564 1.00 0.00 O ATOM 152 CB PRO A 10 -37.845 -24.394 -32.686 1.00 0.00 C ATOM 153 CG PRO A 10 -38.637 -25.657 -32.811 1.00 0.00 C ATOM 154 CD PRO A 10 -38.905 -25.868 -34.279 1.00 0.00 C ATOM 0 HA PRO A 10 -36.900 -23.261 -34.306 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -37.182 -24.428 -31.822 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -38.497 -23.531 -32.553 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -38.086 -26.500 -32.395 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -39.572 -25.582 -32.256 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -38.849 -26.923 -34.547 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -39.900 -25.521 -34.556 1.00 0.00 H new ATOM 162 N ILE A 11 -34.625 -24.095 -33.991 1.00 0.00 N ATOM 163 CA ILE A 11 -33.231 -24.614 -33.855 1.00 0.00 C ATOM 164 C ILE A 11 -32.379 -23.650 -33.010 1.00 0.00 C ATOM 165 O ILE A 11 -32.202 -22.502 -33.370 1.00 0.00 O ATOM 166 CB ILE A 11 -32.678 -24.715 -35.287 1.00 0.00 C ATOM 167 CG1 ILE A 11 -33.018 -23.447 -36.085 1.00 0.00 C ATOM 168 CG2 ILE A 11 -33.290 -25.932 -35.987 1.00 0.00 C ATOM 169 CD1 ILE A 11 -31.961 -23.227 -37.169 1.00 0.00 C ATOM 0 H ILE A 11 -34.696 -23.102 -34.212 1.00 0.00 H new ATOM 0 HA ILE A 11 -33.209 -25.581 -33.352 1.00 0.00 H new ATOM 0 HB ILE A 11 -31.594 -24.822 -35.237 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -34.004 -23.544 -36.538 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -33.056 -22.585 -35.419 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -32.898 -26.003 -37.002 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -33.034 -26.836 -35.435 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -34.374 -25.824 -36.024 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -32.202 -22.327 -37.735 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -30.982 -23.112 -36.704 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -31.945 -24.085 -37.841 1.00 0.00 H new ATOM 181 N PRO A 12 -31.877 -24.157 -31.907 1.00 0.00 N ATOM 182 CA PRO A 12 -31.035 -23.334 -31.002 1.00 0.00 C ATOM 183 C PRO A 12 -29.642 -23.120 -31.613 1.00 0.00 C ATOM 184 O PRO A 12 -28.733 -23.904 -31.404 1.00 0.00 O ATOM 185 CB PRO A 12 -30.954 -24.170 -29.727 1.00 0.00 C ATOM 186 CG PRO A 12 -31.184 -25.579 -30.169 1.00 0.00 C ATOM 187 CD PRO A 12 -32.049 -25.526 -31.401 1.00 0.00 C ATOM 0 HA PRO A 12 -31.441 -22.338 -30.824 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -29.982 -24.062 -29.246 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -31.705 -23.857 -29.002 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -30.237 -26.073 -30.385 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -31.671 -26.154 -29.382 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -31.736 -26.265 -32.139 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -33.092 -25.734 -31.164 1.00 0.00 H new ATOM 195 N ARG A 13 -29.473 -22.065 -32.370 1.00 0.00 N ATOM 196 CA ARG A 13 -28.144 -21.789 -33.002 1.00 0.00 C ATOM 197 C ARG A 13 -27.108 -21.413 -31.932 1.00 0.00 C ATOM 198 O ARG A 13 -27.395 -20.633 -31.043 1.00 0.00 O ATOM 199 CB ARG A 13 -28.382 -20.609 -33.950 1.00 0.00 C ATOM 200 CG ARG A 13 -28.998 -21.114 -35.257 1.00 0.00 C ATOM 201 CD ARG A 13 -30.420 -20.563 -35.404 1.00 0.00 C ATOM 202 NE ARG A 13 -30.471 -19.975 -36.774 1.00 0.00 N ATOM 203 CZ ARG A 13 -31.015 -18.802 -36.963 1.00 0.00 C ATOM 204 NH1 ARG A 13 -32.317 -18.678 -36.953 1.00 0.00 N ATOM 205 NH2 ARG A 13 -30.257 -17.754 -37.161 1.00 0.00 N ATOM 0 H ARG A 13 -30.200 -21.380 -32.579 1.00 0.00 H new ATOM 0 HA ARG A 13 -27.757 -22.662 -33.527 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -29.045 -19.882 -33.481 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -27.441 -20.098 -34.154 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -28.387 -20.801 -36.103 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -29.017 -22.204 -35.264 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -31.162 -21.352 -35.286 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -30.631 -19.811 -34.644 1.00 0.00 H new ATOM 0 HE ARG A 13 -30.081 -20.489 -37.564 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -32.906 -19.496 -36.798 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -32.743 -17.763 -37.100 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -29.242 -17.853 -37.168 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -30.681 -16.838 -37.309 1.00 0.00 H new ATOM 219 N PRO A 14 -25.933 -21.985 -32.058 1.00 0.00 N ATOM 220 CA PRO A 14 -24.835 -21.710 -31.092 1.00 0.00 C ATOM 221 C PRO A 14 -24.250 -20.301 -31.311 1.00 0.00 C ATOM 222 O PRO A 14 -23.932 -19.932 -32.426 1.00 0.00 O ATOM 223 CB PRO A 14 -23.796 -22.781 -31.417 1.00 0.00 C ATOM 224 CG PRO A 14 -24.053 -23.152 -32.843 1.00 0.00 C ATOM 225 CD PRO A 14 -25.522 -22.935 -33.100 1.00 0.00 C ATOM 0 HA PRO A 14 -25.168 -21.739 -30.054 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -22.783 -22.401 -31.285 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -23.901 -23.644 -30.760 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -23.450 -22.541 -33.515 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -23.779 -24.191 -33.026 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -25.697 -22.532 -34.098 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -26.081 -23.868 -33.031 1.00 0.00 H new ATOM 233 N PRO A 15 -24.127 -19.562 -30.231 1.00 0.00 N ATOM 234 CA PRO A 15 -23.571 -18.185 -30.306 1.00 0.00 C ATOM 235 C PRO A 15 -22.045 -18.223 -30.497 1.00 0.00 C ATOM 236 O PRO A 15 -21.373 -19.063 -29.926 1.00 0.00 O ATOM 237 CB PRO A 15 -23.932 -17.578 -28.954 1.00 0.00 C ATOM 238 CG PRO A 15 -24.076 -18.744 -28.026 1.00 0.00 C ATOM 239 CD PRO A 15 -24.491 -19.932 -28.856 1.00 0.00 C ATOM 0 HA PRO A 15 -23.965 -17.613 -31.146 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -23.156 -16.894 -28.610 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -24.858 -17.006 -29.014 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -23.136 -18.944 -27.512 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -24.820 -18.534 -27.258 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -23.975 -20.838 -28.539 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -25.560 -20.126 -28.766 1.00 0.00 H new ATOM 247 N PRO A 16 -21.547 -17.306 -31.296 1.00 0.00 N ATOM 248 CA PRO A 16 -20.085 -17.234 -31.559 1.00 0.00 C ATOM 249 C PRO A 16 -19.346 -16.671 -30.334 1.00 0.00 C ATOM 250 O PRO A 16 -19.047 -15.492 -30.261 1.00 0.00 O ATOM 251 CB PRO A 16 -19.983 -16.286 -32.752 1.00 0.00 C ATOM 252 CG PRO A 16 -21.216 -15.441 -32.687 1.00 0.00 C ATOM 253 CD PRO A 16 -22.288 -16.265 -32.022 1.00 0.00 C ATOM 0 HA PRO A 16 -19.634 -18.206 -31.758 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.083 -15.674 -32.693 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.933 -16.838 -33.691 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -21.027 -14.528 -32.122 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -21.528 -15.139 -33.687 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -22.892 -15.661 -31.345 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -22.969 -16.699 -32.755 1.00 0.00 H new ATOM 261 N PHE A 17 -19.054 -17.508 -29.369 1.00 0.00 N ATOM 262 CA PHE A 17 -18.342 -17.033 -28.145 1.00 0.00 C ATOM 263 C PHE A 17 -16.837 -16.918 -28.406 1.00 0.00 C ATOM 264 O PHE A 17 -16.287 -17.584 -29.264 1.00 0.00 O ATOM 265 CB PHE A 17 -18.624 -18.094 -27.079 1.00 0.00 C ATOM 266 CG PHE A 17 -18.443 -17.497 -25.703 1.00 0.00 C ATOM 267 CD1 PHE A 17 -19.447 -16.694 -25.148 1.00 0.00 C ATOM 268 CD2 PHE A 17 -17.269 -17.748 -24.981 1.00 0.00 C ATOM 269 CE1 PHE A 17 -19.278 -16.142 -23.874 1.00 0.00 C ATOM 270 CE2 PHE A 17 -17.100 -17.195 -23.706 1.00 0.00 C ATOM 271 CZ PHE A 17 -18.105 -16.392 -23.152 1.00 0.00 C ATOM 0 H PHE A 17 -19.279 -18.503 -29.378 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.681 -16.045 -27.835 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -19.640 -18.473 -27.190 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -17.951 -18.942 -27.209 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -20.352 -16.501 -25.704 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -16.494 -18.368 -25.408 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -20.053 -15.523 -23.447 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -16.195 -17.388 -23.150 1.00 0.00 H new ATOM 0 HZ PHE A 17 -17.975 -15.966 -22.168 1.00 0.00 H new ATOM 281 N VAL A 18 -16.172 -16.075 -27.662 1.00 0.00 N ATOM 282 CA VAL A 18 -14.698 -15.900 -27.844 1.00 0.00 C ATOM 283 C VAL A 18 -13.939 -16.981 -27.064 1.00 0.00 C ATOM 284 O VAL A 18 -14.396 -17.458 -26.042 1.00 0.00 O ATOM 285 CB VAL A 18 -14.385 -14.505 -27.285 1.00 0.00 C ATOM 286 CG1 VAL A 18 -12.870 -14.279 -27.264 1.00 0.00 C ATOM 287 CG2 VAL A 18 -15.040 -13.440 -28.170 1.00 0.00 C ATOM 0 H VAL A 18 -16.587 -15.496 -26.932 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.397 -15.991 -28.888 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.776 -14.433 -26.270 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.656 -13.287 -26.866 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.398 -15.033 -26.633 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.477 -14.356 -28.278 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.818 -12.450 -27.773 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.650 -13.520 -29.185 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.119 -13.592 -28.183 1.00 0.00 H new ATOM 297 N ARG A 19 -12.780 -17.362 -27.539 1.00 0.00 N ATOM 298 CA ARG A 19 -11.979 -18.408 -26.828 1.00 0.00 C ATOM 299 C ARG A 19 -11.420 -17.840 -25.514 1.00 0.00 C ATOM 300 O ARG A 19 -10.857 -16.762 -25.501 1.00 0.00 O ATOM 301 CB ARG A 19 -10.839 -18.763 -27.788 1.00 0.00 C ATOM 302 CG ARG A 19 -10.422 -20.220 -27.572 1.00 0.00 C ATOM 303 CD ARG A 19 -8.997 -20.429 -28.094 1.00 0.00 C ATOM 304 NE ARG A 19 -8.123 -20.335 -26.888 1.00 0.00 N ATOM 305 CZ ARG A 19 -7.881 -21.399 -26.170 1.00 0.00 C ATOM 306 NH1 ARG A 19 -7.206 -22.394 -26.685 1.00 0.00 N ATOM 307 NH2 ARG A 19 -8.312 -21.466 -24.938 1.00 0.00 N ATOM 0 H ARG A 19 -12.353 -16.994 -28.389 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.577 -19.282 -26.570 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.159 -18.615 -28.819 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.989 -18.102 -27.620 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.472 -20.470 -26.512 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.111 -20.887 -28.090 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.894 -21.399 -28.581 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.733 -19.672 -28.832 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.714 -19.439 -26.624 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.869 -22.338 -27.646 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.016 -23.225 -26.125 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.837 -20.688 -24.538 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.124 -22.296 -24.376 1.00 0.00 H new ATOM 321 N PRO A 20 -11.598 -18.587 -24.446 1.00 0.00 N ATOM 322 CA PRO A 20 -11.110 -18.147 -23.114 1.00 0.00 C ATOM 323 C PRO A 20 -9.580 -18.222 -23.039 1.00 0.00 C ATOM 324 O PRO A 20 -8.979 -19.245 -23.317 1.00 0.00 O ATOM 325 CB PRO A 20 -11.754 -19.137 -22.147 1.00 0.00 C ATOM 326 CG PRO A 20 -12.023 -20.357 -22.967 1.00 0.00 C ATOM 327 CD PRO A 20 -12.265 -19.893 -24.379 1.00 0.00 C ATOM 0 HA PRO A 20 -11.367 -17.112 -22.891 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.091 -19.361 -21.311 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.675 -18.734 -21.724 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.177 -21.043 -22.926 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.890 -20.896 -22.584 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.848 -20.591 -25.105 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.330 -19.808 -24.594 1.00 0.00 H new ATOM 335 N LEU A 21 -8.954 -17.140 -22.662 1.00 0.00 N ATOM 336 CA LEU A 21 -7.461 -17.119 -22.558 1.00 0.00 C ATOM 337 C LEU A 21 -7.018 -17.499 -21.135 1.00 0.00 C ATOM 338 O LEU A 21 -7.527 -16.962 -20.167 1.00 0.00 O ATOM 339 CB LEU A 21 -7.059 -15.675 -22.879 1.00 0.00 C ATOM 340 CG LEU A 21 -5.542 -15.593 -23.083 1.00 0.00 C ATOM 341 CD1 LEU A 21 -5.227 -14.586 -24.191 1.00 0.00 C ATOM 342 CD2 LEU A 21 -4.875 -15.139 -21.779 1.00 0.00 C ATOM 0 H LEU A 21 -9.413 -16.262 -22.419 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.992 -17.833 -23.235 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.575 -15.335 -23.777 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.363 -15.014 -22.067 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.162 -16.575 -23.366 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.148 -14.529 -24.335 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.700 -14.906 -25.119 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.608 -13.604 -23.910 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.796 -15.080 -21.923 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.257 -14.158 -21.497 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.097 -15.856 -20.988 1.00 0.00 H new ATOM 354 N PRO A 22 -6.077 -18.413 -21.056 1.00 0.00 N ATOM 355 CA PRO A 22 -5.561 -18.865 -19.737 1.00 0.00 C ATOM 356 C PRO A 22 -4.693 -17.770 -19.096 1.00 0.00 C ATOM 357 O PRO A 22 -3.570 -17.536 -19.505 1.00 0.00 O ATOM 358 CB PRO A 22 -4.729 -20.100 -20.081 1.00 0.00 C ATOM 359 CG PRO A 22 -4.330 -19.914 -21.509 1.00 0.00 C ATOM 360 CD PRO A 22 -5.416 -19.106 -22.171 1.00 0.00 C ATOM 0 HA PRO A 22 -6.350 -19.081 -19.017 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.855 -20.179 -19.434 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.307 -21.014 -19.949 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.371 -19.400 -21.577 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.211 -20.878 -22.004 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.004 -18.399 -22.892 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.114 -19.744 -22.713 1.00 0.00 H new ATOM 368 N GLY A 23 -5.212 -17.097 -18.098 1.00 0.00 N ATOM 369 CA GLY A 23 -4.431 -16.013 -17.427 1.00 0.00 C ATOM 370 C GLY A 23 -4.579 -16.127 -15.905 1.00 0.00 C ATOM 371 O GLY A 23 -3.601 -16.128 -15.180 1.00 0.00 O ATOM 0 H GLY A 23 -6.146 -17.253 -17.719 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.380 -16.085 -17.705 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.783 -15.038 -17.763 1.00 0.00 H new ATOM 375 N GLY A 24 -5.793 -16.220 -15.417 1.00 0.00 N ATOM 376 CA GLY A 24 -6.009 -16.330 -13.942 1.00 0.00 C ATOM 377 C GLY A 24 -6.222 -14.934 -13.342 1.00 0.00 C ATOM 378 O GLY A 24 -5.867 -13.939 -13.947 1.00 0.00 O ATOM 0 H GLY A 24 -6.644 -16.224 -15.979 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.875 -16.959 -13.738 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.149 -16.810 -13.474 1.00 0.00 H new ATOM 382 N PRO A 25 -6.801 -14.907 -12.164 1.00 0.00 N ATOM 383 CA PRO A 25 -7.070 -13.618 -11.471 1.00 0.00 C ATOM 384 C PRO A 25 -5.767 -12.997 -10.946 1.00 0.00 C ATOM 385 O PRO A 25 -4.853 -13.696 -10.545 1.00 0.00 O ATOM 386 CB PRO A 25 -7.988 -14.017 -10.316 1.00 0.00 C ATOM 387 CG PRO A 25 -7.687 -15.460 -10.061 1.00 0.00 C ATOM 388 CD PRO A 25 -7.254 -16.060 -11.373 1.00 0.00 C ATOM 0 HA PRO A 25 -7.514 -12.868 -12.126 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.794 -13.411 -9.431 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.036 -13.873 -10.578 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.902 -15.563 -9.312 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.566 -15.974 -9.674 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.454 -16.787 -11.234 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.076 -16.581 -11.863 1.00 0.00 H new ATOM 396 N ILE A 26 -5.677 -11.690 -10.953 1.00 0.00 N ATOM 397 CA ILE A 26 -4.444 -11.011 -10.466 1.00 0.00 C ATOM 398 C ILE A 26 -4.795 -9.665 -9.808 1.00 0.00 C ATOM 399 O ILE A 26 -5.856 -9.111 -10.032 1.00 0.00 O ATOM 400 CB ILE A 26 -3.593 -10.806 -11.725 1.00 0.00 C ATOM 401 CG1 ILE A 26 -2.213 -10.292 -11.321 1.00 0.00 C ATOM 402 CG2 ILE A 26 -4.262 -9.790 -12.659 1.00 0.00 C ATOM 403 CD1 ILE A 26 -1.179 -10.705 -12.373 1.00 0.00 C ATOM 0 H ILE A 26 -6.412 -11.063 -11.278 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.917 -11.592 -9.709 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.497 -11.757 -12.249 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.233 -9.207 -11.223 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.935 -10.694 -10.347 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.647 -9.654 -13.549 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.246 -10.157 -12.951 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.369 -8.836 -12.142 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.196 -10.336 -12.081 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.151 -11.792 -12.449 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.453 -10.281 -13.339 1.00 0.00 H new ATOM 415 N GLY A 27 -3.907 -9.136 -9.001 1.00 0.00 N ATOM 416 CA GLY A 27 -4.182 -7.828 -8.331 1.00 0.00 C ATOM 417 C GLY A 27 -4.868 -8.060 -6.979 1.00 0.00 C ATOM 418 O GLY A 27 -5.341 -9.146 -6.699 1.00 0.00 O ATOM 0 H GLY A 27 -3.004 -9.554 -8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.250 -7.283 -8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.816 -7.211 -8.968 1.00 0.00 H new ATOM 422 N PRO A 28 -4.901 -7.018 -6.181 1.00 0.00 N ATOM 423 CA PRO A 28 -5.538 -7.094 -4.836 1.00 0.00 C ATOM 424 C PRO A 28 -7.077 -7.100 -4.931 1.00 0.00 C ATOM 425 O PRO A 28 -7.759 -7.176 -3.926 1.00 0.00 O ATOM 426 CB PRO A 28 -5.055 -5.825 -4.143 1.00 0.00 C ATOM 427 CG PRO A 28 -4.744 -4.867 -5.250 1.00 0.00 C ATOM 428 CD PRO A 28 -4.347 -5.684 -6.451 1.00 0.00 C ATOM 0 HA PRO A 28 -5.274 -8.009 -4.306 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.820 -5.424 -3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.173 -6.021 -3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.611 -4.247 -5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.938 -4.193 -4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.753 -5.263 -7.371 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.264 -5.719 -6.568 1.00 0.00 H new ATOM 436 N TYR A 29 -7.629 -7.013 -6.121 1.00 0.00 N ATOM 437 CA TYR A 29 -9.118 -7.006 -6.266 1.00 0.00 C ATOM 438 C TYR A 29 -9.701 -8.392 -5.951 1.00 0.00 C ATOM 439 O TYR A 29 -10.014 -9.164 -6.840 1.00 0.00 O ATOM 440 CB TYR A 29 -9.378 -6.629 -7.730 1.00 0.00 C ATOM 441 CG TYR A 29 -10.694 -5.894 -7.838 1.00 0.00 C ATOM 442 CD1 TYR A 29 -11.879 -6.608 -8.047 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.726 -4.498 -7.741 1.00 0.00 C ATOM 444 CE1 TYR A 29 -13.096 -5.928 -8.154 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.941 -3.816 -7.850 1.00 0.00 C ATOM 446 CZ TYR A 29 -13.128 -4.531 -8.056 1.00 0.00 C ATOM 447 OH TYR A 29 -14.329 -3.859 -8.165 1.00 0.00 O ATOM 0 H TYR A 29 -7.110 -6.947 -6.997 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.590 -6.307 -5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.568 -6.003 -8.104 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.399 -7.526 -8.349 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.854 -7.685 -8.126 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.811 -3.947 -7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -14.011 -6.480 -8.312 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.965 -2.739 -7.775 1.00 0.00 H new ATOM 0 HH TYR A 29 -14.734 -3.767 -7.277 1.00 0.00 H new ATOM 457 N ASN A 30 -9.850 -8.706 -4.691 1.00 0.00 N ATOM 458 CA ASN A 30 -10.415 -10.033 -4.301 1.00 0.00 C ATOM 459 C ASN A 30 -11.222 -9.911 -2.999 1.00 0.00 C ATOM 460 O ASN A 30 -11.080 -10.708 -2.091 1.00 0.00 O ATOM 461 CB ASN A 30 -9.197 -10.944 -4.111 1.00 0.00 C ATOM 462 CG ASN A 30 -9.368 -12.208 -4.958 1.00 0.00 C ATOM 463 OD1 ASN A 30 -9.744 -13.247 -4.452 1.00 0.00 O ATOM 464 ND2 ASN A 30 -9.110 -12.161 -6.237 1.00 0.00 N ATOM 0 H ASN A 30 -9.603 -8.097 -3.911 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.100 -10.428 -5.052 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.288 -10.419 -4.402 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.089 -11.210 -3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.224 -12.996 -6.811 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.794 -11.289 -6.662 1.00 0.00 H new ATOM 471 N GLY A 31 -12.074 -8.917 -2.906 1.00 0.00 N ATOM 472 CA GLY A 31 -12.894 -8.740 -1.672 1.00 0.00 C ATOM 473 C GLY A 31 -13.517 -7.339 -1.650 1.00 0.00 C ATOM 474 O GLY A 31 -13.420 -6.628 -0.666 1.00 0.00 O ATOM 0 H GLY A 31 -12.235 -8.221 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.678 -9.496 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.272 -8.884 -0.789 1.00 0.00 H new ATOM 478 N CYS A 32 -14.163 -6.942 -2.726 1.00 0.00 N ATOM 479 CA CYS A 32 -14.807 -5.588 -2.786 1.00 0.00 C ATOM 480 C CYS A 32 -15.464 -5.379 -4.161 1.00 0.00 C ATOM 481 O CYS A 32 -14.895 -4.742 -5.030 1.00 0.00 O ATOM 482 CB CYS A 32 -13.673 -4.577 -2.580 1.00 0.00 C ATOM 483 SG CYS A 32 -14.353 -2.900 -2.587 1.00 0.00 S ATOM 0 H CYS A 32 -14.272 -7.503 -3.571 1.00 0.00 H new ATOM 0 HA CYS A 32 -15.585 -5.476 -2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -13.165 -4.771 -1.635 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.929 -4.683 -3.370 1.00 0.00 H new ATOM 488 N PRO A 33 -16.647 -5.926 -4.314 1.00 0.00 N ATOM 489 CA PRO A 33 -17.392 -5.797 -5.599 1.00 0.00 C ATOM 490 C PRO A 33 -17.827 -4.343 -5.845 1.00 0.00 C ATOM 491 O PRO A 33 -17.894 -3.539 -4.932 1.00 0.00 O ATOM 492 CB PRO A 33 -18.601 -6.712 -5.401 1.00 0.00 C ATOM 493 CG PRO A 33 -18.779 -6.794 -3.920 1.00 0.00 C ATOM 494 CD PRO A 33 -17.399 -6.710 -3.324 1.00 0.00 C ATOM 0 HA PRO A 33 -16.792 -6.069 -6.468 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.489 -6.304 -5.884 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.427 -7.697 -5.834 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.409 -5.981 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -19.268 -7.726 -3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.411 -6.221 -2.350 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.963 -7.698 -3.179 1.00 0.00 H new ATOM 502 N VAL A 34 -18.121 -4.004 -7.077 1.00 0.00 N ATOM 503 CA VAL A 34 -18.552 -2.603 -7.399 1.00 0.00 C ATOM 504 C VAL A 34 -19.974 -2.338 -6.880 1.00 0.00 C ATOM 505 O VAL A 34 -20.322 -1.218 -6.557 1.00 0.00 O ATOM 506 CB VAL A 34 -18.521 -2.510 -8.931 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.982 -1.117 -9.372 1.00 0.00 C ATOM 508 CG2 VAL A 34 -17.096 -2.751 -9.439 1.00 0.00 C ATOM 0 H VAL A 34 -18.082 -4.637 -7.876 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.901 -1.865 -6.930 1.00 0.00 H new ATOM 0 HB VAL A 34 -19.188 -3.266 -9.345 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.959 -1.054 -10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.998 -0.942 -9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.317 -0.363 -8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.081 -2.684 -10.527 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.428 -1.999 -9.020 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.763 -3.743 -9.132 1.00 0.00 H new ATOM 518 N SER A 35 -20.798 -3.357 -6.806 1.00 0.00 N ATOM 519 CA SER A 35 -22.201 -3.166 -6.318 1.00 0.00 C ATOM 520 C SER A 35 -22.249 -2.953 -4.795 1.00 0.00 C ATOM 521 O SER A 35 -23.298 -2.670 -4.247 1.00 0.00 O ATOM 522 CB SER A 35 -22.931 -4.457 -6.699 1.00 0.00 C ATOM 523 OG SER A 35 -24.295 -4.164 -6.975 1.00 0.00 O ATOM 0 H SER A 35 -20.558 -4.315 -7.063 1.00 0.00 H new ATOM 0 HA SER A 35 -22.657 -2.280 -6.760 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.461 -4.910 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.860 -5.181 -5.887 1.00 0.00 H new ATOM 0 HG SER A 35 -24.764 -4.989 -7.221 1.00 0.00 H new ATOM 529 N CYS A 36 -21.133 -3.091 -4.106 1.00 0.00 N ATOM 530 CA CYS A 36 -21.121 -2.904 -2.616 1.00 0.00 C ATOM 531 C CYS A 36 -22.102 -3.877 -1.941 1.00 0.00 C ATOM 532 O CYS A 36 -22.635 -3.603 -0.880 1.00 0.00 O ATOM 533 CB CYS A 36 -21.534 -1.446 -2.378 1.00 0.00 C ATOM 534 SG CYS A 36 -20.268 -0.346 -3.057 1.00 0.00 S ATOM 0 H CYS A 36 -20.229 -3.326 -4.515 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.140 -3.111 -2.189 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.496 -1.247 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.658 -1.261 -1.311 1.00 0.00 H new ATOM 539 N ARG A 37 -22.334 -5.018 -2.549 1.00 0.00 N ATOM 540 CA ARG A 37 -23.269 -6.018 -1.954 1.00 0.00 C ATOM 541 C ARG A 37 -22.485 -7.231 -1.436 1.00 0.00 C ATOM 542 O ARG A 37 -21.399 -7.526 -1.902 1.00 0.00 O ATOM 543 CB ARG A 37 -24.201 -6.431 -3.100 1.00 0.00 C ATOM 544 CG ARG A 37 -24.940 -5.200 -3.637 1.00 0.00 C ATOM 545 CD ARG A 37 -26.390 -5.573 -3.963 1.00 0.00 C ATOM 546 NE ARG A 37 -27.126 -5.435 -2.674 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.429 -5.350 -2.672 1.00 0.00 C ATOM 548 NH1 ARG A 37 -29.154 -6.439 -2.678 1.00 0.00 N ATOM 549 NH2 ARG A 37 -29.006 -4.177 -2.662 1.00 0.00 N ATOM 0 H ARG A 37 -21.913 -5.297 -3.435 1.00 0.00 H new ATOM 0 HA ARG A 37 -23.823 -5.610 -1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -23.625 -6.898 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -24.918 -7.173 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -24.917 -4.399 -2.898 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -24.441 -4.824 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -26.804 -4.914 -4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -26.458 -6.590 -4.349 1.00 0.00 H new ATOM 0 HE ARG A 37 -26.612 -5.407 -1.794 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -28.701 -7.353 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -30.172 -6.374 -2.676 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -28.438 -3.330 -2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -30.024 -4.109 -2.660 1.00 0.00 H new ATOM 563 N GLY A 38 -23.034 -7.936 -0.476 1.00 0.00 N ATOM 564 CA GLY A 38 -22.334 -9.134 0.080 1.00 0.00 C ATOM 565 C GLY A 38 -21.219 -8.708 1.049 1.00 0.00 C ATOM 566 O GLY A 38 -20.338 -9.487 1.361 1.00 0.00 O ATOM 0 H GLY A 38 -23.939 -7.732 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -23.050 -9.772 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -21.911 -9.724 -0.733 1.00 0.00 H new ATOM 570 N ILE A 39 -21.251 -7.487 1.534 1.00 0.00 N ATOM 571 CA ILE A 39 -20.194 -7.025 2.485 1.00 0.00 C ATOM 572 C ILE A 39 -20.831 -6.245 3.641 1.00 0.00 C ATOM 573 O ILE A 39 -21.955 -5.787 3.550 1.00 0.00 O ATOM 574 CB ILE A 39 -19.259 -6.114 1.670 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.021 -4.860 1.212 1.00 0.00 C ATOM 576 CG2 ILE A 39 -18.730 -6.873 0.449 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.120 -3.997 0.323 1.00 0.00 C ATOM 0 H ILE A 39 -21.964 -6.793 1.311 1.00 0.00 H new ATOM 0 HA ILE A 39 -19.649 -7.863 2.921 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.419 -5.813 2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -20.918 -5.149 0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.348 -4.286 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -18.069 -6.224 -0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.178 -7.753 0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -19.567 -7.183 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.667 -3.110 0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.236 -3.695 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.815 -4.571 -0.552 1.00 0.00 H new ATOM 589 N SER A 40 -20.116 -6.084 4.722 1.00 0.00 N ATOM 590 CA SER A 40 -20.673 -5.326 5.879 1.00 0.00 C ATOM 591 C SER A 40 -20.374 -3.836 5.721 1.00 0.00 C ATOM 592 O SER A 40 -19.592 -3.434 4.878 1.00 0.00 O ATOM 593 CB SER A 40 -19.966 -5.890 7.113 1.00 0.00 C ATOM 594 OG SER A 40 -20.360 -5.152 8.265 1.00 0.00 O ATOM 0 H SER A 40 -19.171 -6.444 4.854 1.00 0.00 H new ATOM 0 HA SER A 40 -21.755 -5.429 5.955 1.00 0.00 H new ATOM 0 HB2 SER A 40 -20.217 -6.943 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 40 -18.885 -5.833 6.984 1.00 0.00 H new ATOM 0 HG SER A 40 -19.909 -5.514 9.056 1.00 0.00 H new ATOM 600 N PHE A 41 -20.983 -3.017 6.538 1.00 0.00 N ATOM 601 CA PHE A 41 -20.732 -1.545 6.457 1.00 0.00 C ATOM 602 C PHE A 41 -19.243 -1.268 6.686 1.00 0.00 C ATOM 603 O PHE A 41 -18.631 -0.499 5.971 1.00 0.00 O ATOM 604 CB PHE A 41 -21.580 -0.929 7.575 1.00 0.00 C ATOM 605 CG PHE A 41 -21.576 0.578 7.449 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.410 1.211 6.518 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.737 1.343 8.269 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.402 2.607 6.407 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.730 2.739 8.157 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.563 3.370 7.226 1.00 0.00 C ATOM 0 H PHE A 41 -21.645 -3.303 7.260 1.00 0.00 H new ATOM 0 HA PHE A 41 -20.993 -1.127 5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.601 -1.305 7.519 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.185 -1.223 8.548 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -23.059 0.623 5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.095 0.856 8.988 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -23.044 3.095 5.689 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.082 3.328 8.789 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.558 4.447 7.140 1.00 0.00 H new ATOM 620 N SER A 42 -18.658 -1.904 7.672 1.00 0.00 N ATOM 621 CA SER A 42 -17.203 -1.697 7.947 1.00 0.00 C ATOM 622 C SER A 42 -16.366 -2.226 6.777 1.00 0.00 C ATOM 623 O SER A 42 -15.391 -1.615 6.381 1.00 0.00 O ATOM 624 CB SER A 42 -16.910 -2.493 9.223 1.00 0.00 C ATOM 625 OG SER A 42 -15.785 -1.926 9.884 1.00 0.00 O ATOM 0 H SER A 42 -19.127 -2.558 8.299 1.00 0.00 H new ATOM 0 HA SER A 42 -16.955 -0.642 8.067 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.778 -2.479 9.882 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.714 -3.537 8.977 1.00 0.00 H new ATOM 0 HG SER A 42 -15.596 -2.432 10.702 1.00 0.00 H new ATOM 631 N GLN A 43 -16.748 -3.347 6.209 1.00 0.00 N ATOM 632 CA GLN A 43 -15.977 -3.897 5.052 1.00 0.00 C ATOM 633 C GLN A 43 -16.099 -2.951 3.854 1.00 0.00 C ATOM 634 O GLN A 43 -15.131 -2.673 3.172 1.00 0.00 O ATOM 635 CB GLN A 43 -16.614 -5.255 4.738 1.00 0.00 C ATOM 636 CG GLN A 43 -15.570 -6.182 4.103 1.00 0.00 C ATOM 637 CD GLN A 43 -14.711 -6.826 5.198 1.00 0.00 C ATOM 638 OE1 GLN A 43 -15.005 -7.914 5.651 1.00 0.00 O ATOM 639 NE2 GLN A 43 -13.655 -6.201 5.642 1.00 0.00 N ATOM 0 H GLN A 43 -17.555 -3.900 6.496 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.915 -4.001 5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.005 -5.704 5.651 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.458 -5.124 4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.066 -6.955 3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.938 -5.617 3.418 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.406 -5.287 5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.078 -6.626 6.368 1.00 0.00 H new ATOM 648 N ALA A 44 -17.282 -2.438 3.610 1.00 0.00 N ATOM 649 CA ALA A 44 -17.471 -1.489 2.471 1.00 0.00 C ATOM 650 C ALA A 44 -16.743 -0.176 2.778 1.00 0.00 C ATOM 651 O ALA A 44 -16.129 0.420 1.912 1.00 0.00 O ATOM 652 CB ALA A 44 -18.984 -1.269 2.375 1.00 0.00 C ATOM 0 H ALA A 44 -18.123 -2.637 4.151 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.068 -1.870 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.200 -0.581 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.479 -2.222 2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.351 -0.848 3.311 1.00 0.00 H new ATOM 658 N ARG A 45 -16.794 0.261 4.015 1.00 0.00 N ATOM 659 CA ARG A 45 -16.090 1.520 4.404 1.00 0.00 C ATOM 660 C ARG A 45 -14.575 1.330 4.248 1.00 0.00 C ATOM 661 O ARG A 45 -13.871 2.213 3.796 1.00 0.00 O ATOM 662 CB ARG A 45 -16.456 1.744 5.876 1.00 0.00 C ATOM 663 CG ARG A 45 -16.550 3.244 6.165 1.00 0.00 C ATOM 664 CD ARG A 45 -17.746 3.509 7.086 1.00 0.00 C ATOM 665 NE ARG A 45 -17.328 4.651 7.947 1.00 0.00 N ATOM 666 CZ ARG A 45 -17.054 4.455 9.211 1.00 0.00 C ATOM 667 NH1 ARG A 45 -15.891 3.970 9.557 1.00 0.00 N ATOM 668 NH2 ARG A 45 -17.941 4.748 10.126 1.00 0.00 N ATOM 0 H ARG A 45 -17.295 -0.203 4.772 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.377 2.370 3.785 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.407 1.261 6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.705 1.287 6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.631 3.594 6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.664 3.799 5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.639 3.755 6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.984 2.630 7.685 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.255 5.588 7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.199 3.745 8.842 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.675 3.816 10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.847 5.130 9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.727 4.595 11.111 1.00 0.00 H new ATOM 682 N SER A 46 -14.081 0.171 4.619 1.00 0.00 N ATOM 683 CA SER A 46 -12.617 -0.111 4.505 1.00 0.00 C ATOM 684 C SER A 46 -12.160 -0.049 3.039 1.00 0.00 C ATOM 685 O SER A 46 -11.127 0.514 2.734 1.00 0.00 O ATOM 686 CB SER A 46 -12.445 -1.530 5.058 1.00 0.00 C ATOM 687 OG SER A 46 -11.095 -1.723 5.460 1.00 0.00 O ATOM 0 H SER A 46 -14.636 -0.596 4.999 1.00 0.00 H new ATOM 0 HA SER A 46 -12.019 0.621 5.048 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.113 -1.685 5.905 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.718 -2.263 4.299 1.00 0.00 H new ATOM 0 HG SER A 46 -10.986 -2.630 5.815 1.00 0.00 H new ATOM 693 N CYS A 47 -12.915 -0.628 2.133 1.00 0.00 N ATOM 694 CA CYS A 47 -12.509 -0.607 0.690 1.00 0.00 C ATOM 695 C CYS A 47 -12.565 0.814 0.115 1.00 0.00 C ATOM 696 O CYS A 47 -11.799 1.154 -0.766 1.00 0.00 O ATOM 697 CB CYS A 47 -13.500 -1.514 -0.038 1.00 0.00 C ATOM 698 SG CYS A 47 -12.907 -1.789 -1.726 1.00 0.00 S ATOM 0 H CYS A 47 -13.791 -1.112 2.330 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.481 -0.950 0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.598 -2.464 0.487 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.489 -1.056 -0.055 1.00 0.00 H new ATOM 703 N CYS A 48 -13.456 1.648 0.593 1.00 0.00 N ATOM 704 CA CYS A 48 -13.525 3.044 0.052 1.00 0.00 C ATOM 705 C CYS A 48 -12.187 3.755 0.275 1.00 0.00 C ATOM 706 O CYS A 48 -11.692 4.451 -0.589 1.00 0.00 O ATOM 707 CB CYS A 48 -14.634 3.741 0.838 1.00 0.00 C ATOM 708 SG CYS A 48 -14.630 5.515 0.463 1.00 0.00 S ATOM 0 H CYS A 48 -14.131 1.428 1.325 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.728 3.055 -1.019 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.601 3.308 0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.488 3.585 1.907 1.00 0.00 H new ATOM 713 N SER A 49 -11.596 3.579 1.429 1.00 0.00 N ATOM 714 CA SER A 49 -10.287 4.238 1.710 1.00 0.00 C ATOM 715 C SER A 49 -9.122 3.395 1.171 1.00 0.00 C ATOM 716 O SER A 49 -8.046 3.903 0.925 1.00 0.00 O ATOM 717 CB SER A 49 -10.211 4.339 3.235 1.00 0.00 C ATOM 718 OG SER A 49 -9.066 5.099 3.599 1.00 0.00 O ATOM 0 H SER A 49 -11.964 3.007 2.189 1.00 0.00 H new ATOM 0 HA SER A 49 -10.214 5.213 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.113 4.810 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.156 3.343 3.675 1.00 0.00 H new ATOM 0 HG SER A 49 -9.015 5.167 4.575 1.00 0.00 H new ATOM 724 N ARG A 50 -9.324 2.114 0.993 1.00 0.00 N ATOM 725 CA ARG A 50 -8.222 1.243 0.480 1.00 0.00 C ATOM 726 C ARG A 50 -8.165 1.261 -1.055 1.00 0.00 C ATOM 727 O ARG A 50 -7.103 1.152 -1.637 1.00 0.00 O ATOM 728 CB ARG A 50 -8.555 -0.165 0.984 1.00 0.00 C ATOM 729 CG ARG A 50 -8.105 -0.309 2.441 1.00 0.00 C ATOM 730 CD ARG A 50 -8.904 -1.428 3.120 1.00 0.00 C ATOM 731 NE ARG A 50 -8.241 -2.696 2.699 1.00 0.00 N ATOM 732 CZ ARG A 50 -8.945 -3.791 2.572 1.00 0.00 C ATOM 733 NH1 ARG A 50 -9.221 -4.515 3.625 1.00 0.00 N ATOM 734 NH2 ARG A 50 -9.367 -4.160 1.390 1.00 0.00 N ATOM 0 H ARG A 50 -10.204 1.633 1.181 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.248 1.588 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.627 -0.347 0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.058 -0.911 0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.039 -0.533 2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.254 0.631 2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.891 -1.318 4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.949 -1.409 2.810 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.239 -2.709 2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.887 -4.226 4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.770 -5.369 3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.147 -3.594 0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.916 -5.013 1.288 1.00 0.00 H new ATOM 748 N LEU A 51 -9.295 1.377 -1.717 1.00 0.00 N ATOM 749 CA LEU A 51 -9.287 1.376 -3.215 1.00 0.00 C ATOM 750 C LEU A 51 -10.282 2.395 -3.803 1.00 0.00 C ATOM 751 O LEU A 51 -10.517 2.407 -4.997 1.00 0.00 O ATOM 752 CB LEU A 51 -9.704 -0.046 -3.599 1.00 0.00 C ATOM 753 CG LEU A 51 -8.457 -0.921 -3.765 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.784 -2.360 -3.359 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.004 -0.896 -5.228 1.00 0.00 C ATOM 0 H LEU A 51 -10.215 1.472 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.309 1.659 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.355 -0.465 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.275 -0.030 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.659 -0.536 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.897 -2.982 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.105 -2.380 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.583 -2.744 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.117 -1.519 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.803 -1.279 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.769 0.128 -5.519 1.00 0.00 H new ATOM 767 N GLY A 52 -10.867 3.245 -2.992 1.00 0.00 N ATOM 768 CA GLY A 52 -11.840 4.247 -3.530 1.00 0.00 C ATOM 769 C GLY A 52 -13.119 3.540 -4.014 1.00 0.00 C ATOM 770 O GLY A 52 -13.825 4.048 -4.864 1.00 0.00 O ATOM 0 H GLY A 52 -10.713 3.288 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.088 4.975 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.387 4.799 -4.354 1.00 0.00 H new ATOM 774 N ARG A 53 -13.423 2.376 -3.482 1.00 0.00 N ATOM 775 CA ARG A 53 -14.655 1.647 -3.920 1.00 0.00 C ATOM 776 C ARG A 53 -15.666 1.555 -2.774 1.00 0.00 C ATOM 777 O ARG A 53 -15.303 1.426 -1.622 1.00 0.00 O ATOM 778 CB ARG A 53 -14.180 0.249 -4.319 1.00 0.00 C ATOM 779 CG ARG A 53 -13.821 0.232 -5.807 1.00 0.00 C ATOM 780 CD ARG A 53 -14.208 -1.122 -6.416 1.00 0.00 C ATOM 781 NE ARG A 53 -14.985 -0.790 -7.647 1.00 0.00 N ATOM 782 CZ ARG A 53 -14.360 -0.487 -8.755 1.00 0.00 C ATOM 783 NH1 ARG A 53 -13.892 -1.437 -9.521 1.00 0.00 N ATOM 784 NH2 ARG A 53 -14.211 0.767 -9.098 1.00 0.00 N ATOM 0 H ARG A 53 -12.872 1.903 -2.766 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.154 2.160 -4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.313 -0.035 -3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.961 -0.483 -4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.341 1.037 -6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.753 0.408 -5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.324 -1.713 -6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.806 -1.710 -5.720 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.005 -0.800 -7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.014 -2.414 -9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.404 -1.201 -10.385 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.582 1.506 -8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.724 1.005 -9.962 1.00 0.00 H new ATOM 798 N CYS A 54 -16.934 1.635 -3.097 1.00 0.00 N ATOM 799 CA CYS A 54 -18.013 1.569 -2.056 1.00 0.00 C ATOM 800 C CYS A 54 -17.861 2.744 -1.093 1.00 0.00 C ATOM 801 O CYS A 54 -17.868 2.592 0.114 1.00 0.00 O ATOM 802 CB CYS A 54 -17.835 0.224 -1.337 1.00 0.00 C ATOM 803 SG CYS A 54 -18.526 -1.101 -2.361 1.00 0.00 S ATOM 0 H CYS A 54 -17.274 1.745 -4.052 1.00 0.00 H new ATOM 0 HA CYS A 54 -19.011 1.636 -2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.778 0.038 -1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.334 0.248 -0.368 1.00 0.00 H new ATOM 808 N CYS A 55 -17.716 3.920 -1.638 1.00 0.00 N ATOM 809 CA CYS A 55 -17.550 5.135 -0.797 1.00 0.00 C ATOM 810 C CYS A 55 -18.915 5.754 -0.451 1.00 0.00 C ATOM 811 O CYS A 55 -19.057 6.420 0.557 1.00 0.00 O ATOM 812 CB CYS A 55 -16.714 6.080 -1.659 1.00 0.00 C ATOM 813 SG CYS A 55 -14.968 5.619 -1.527 1.00 0.00 S ATOM 0 H CYS A 55 -17.706 4.091 -2.643 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.073 4.920 0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.039 6.027 -2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.856 7.110 -1.333 1.00 0.00 H new ATOM 818 N HIS A 56 -19.922 5.525 -1.263 1.00 0.00 N ATOM 819 CA HIS A 56 -21.273 6.086 -0.963 1.00 0.00 C ATOM 820 C HIS A 56 -22.208 4.967 -0.478 1.00 0.00 C ATOM 821 O HIS A 56 -23.380 4.936 -0.805 1.00 0.00 O ATOM 822 CB HIS A 56 -21.769 6.680 -2.287 1.00 0.00 C ATOM 823 CG HIS A 56 -22.714 7.819 -2.006 1.00 0.00 C ATOM 824 ND1 HIS A 56 -23.871 7.657 -1.258 1.00 0.00 N ATOM 825 CD2 HIS A 56 -22.685 9.143 -2.370 1.00 0.00 C ATOM 826 CE1 HIS A 56 -24.483 8.853 -1.195 1.00 0.00 C ATOM 827 NE2 HIS A 56 -23.803 9.793 -1.855 1.00 0.00 N ATOM 0 H HIS A 56 -19.863 4.974 -2.119 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.244 6.839 -0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.924 7.032 -2.879 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.272 5.913 -2.876 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -24.198 6.789 -0.833 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -21.913 9.609 -2.965 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -25.412 9.031 -0.674 1.00 0.00 H new ATOM 835 N VAL A 57 -21.690 4.053 0.305 1.00 0.00 N ATOM 836 CA VAL A 57 -22.533 2.931 0.825 1.00 0.00 C ATOM 837 C VAL A 57 -23.649 3.489 1.719 1.00 0.00 C ATOM 838 O VAL A 57 -23.397 4.206 2.670 1.00 0.00 O ATOM 839 CB VAL A 57 -21.569 2.047 1.629 1.00 0.00 C ATOM 840 CG1 VAL A 57 -22.357 1.115 2.558 1.00 0.00 C ATOM 841 CG2 VAL A 57 -20.728 1.203 0.666 1.00 0.00 C ATOM 0 H VAL A 57 -20.716 4.035 0.608 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.020 2.367 0.029 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.920 2.686 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -21.663 0.493 3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -22.955 1.710 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.013 0.479 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.043 0.575 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.385 0.573 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.157 1.860 0.010 1.00 0.00 H new ATOM 851 N GLY A 58 -24.881 3.172 1.410 1.00 0.00 N ATOM 852 CA GLY A 58 -26.020 3.687 2.227 1.00 0.00 C ATOM 853 C GLY A 58 -26.496 5.026 1.652 1.00 0.00 C ATOM 854 O GLY A 58 -25.808 5.654 0.868 1.00 0.00 O ATOM 0 H GLY A 58 -25.147 2.577 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.838 2.967 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.710 3.814 3.264 1.00 0.00 H new ATOM 858 N LYS A 59 -27.669 5.468 2.032 1.00 0.00 N ATOM 859 CA LYS A 59 -28.191 6.766 1.503 1.00 0.00 C ATOM 860 C LYS A 59 -27.669 7.936 2.347 1.00 0.00 C ATOM 861 O LYS A 59 -28.382 8.495 3.162 1.00 0.00 O ATOM 862 CB LYS A 59 -29.716 6.656 1.599 1.00 0.00 C ATOM 863 CG LYS A 59 -30.246 5.795 0.448 1.00 0.00 C ATOM 864 CD LYS A 59 -30.897 4.530 1.012 1.00 0.00 C ATOM 865 CE LYS A 59 -31.394 3.652 -0.140 1.00 0.00 C ATOM 866 NZ LYS A 59 -31.564 2.293 0.451 1.00 0.00 N ATOM 0 H LYS A 59 -28.287 4.987 2.685 1.00 0.00 H new ATOM 0 HA LYS A 59 -27.867 6.953 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -29.999 6.216 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -30.165 7.649 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -30.971 6.359 -0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -29.431 5.528 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -30.179 3.979 1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -31.728 4.796 1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -32.335 4.027 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -30.678 3.638 -0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -31.903 1.636 -0.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -30.651 1.959 0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -32.257 2.335 1.226 1.00 0.00 H new ATOM 880 N GLY A 60 -26.428 8.310 2.154 1.00 0.00 N ATOM 881 CA GLY A 60 -25.848 9.443 2.935 1.00 0.00 C ATOM 882 C GLY A 60 -25.373 8.942 4.302 1.00 0.00 C ATOM 883 O GLY A 60 -26.013 8.118 4.929 1.00 0.00 O ATOM 0 H GLY A 60 -25.790 7.877 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.014 9.883 2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -26.594 10.227 3.064 1.00 0.00 H new ATOM 887 N TYR A 61 -24.254 9.438 4.772 1.00 0.00 N ATOM 888 CA TYR A 61 -23.736 8.998 6.102 1.00 0.00 C ATOM 889 C TYR A 61 -24.590 9.595 7.225 1.00 0.00 C ATOM 890 O TYR A 61 -25.205 10.634 7.065 1.00 0.00 O ATOM 891 CB TYR A 61 -22.301 9.530 6.174 1.00 0.00 C ATOM 892 CG TYR A 61 -21.582 8.899 7.344 1.00 0.00 C ATOM 893 CD1 TYR A 61 -20.976 7.645 7.199 1.00 0.00 C ATOM 894 CD2 TYR A 61 -21.526 9.566 8.574 1.00 0.00 C ATOM 895 CE1 TYR A 61 -20.313 7.059 8.283 1.00 0.00 C ATOM 896 CE2 TYR A 61 -20.861 8.979 9.657 1.00 0.00 C ATOM 897 CZ TYR A 61 -20.255 7.726 9.512 1.00 0.00 C ATOM 898 OH TYR A 61 -19.601 7.145 10.580 1.00 0.00 O ATOM 0 H TYR A 61 -23.678 10.129 4.291 1.00 0.00 H new ATOM 0 HA TYR A 61 -23.770 7.915 6.218 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -21.773 9.307 5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -22.310 10.615 6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -21.020 7.130 6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -21.995 10.532 8.687 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -19.846 6.092 8.171 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -20.816 9.494 10.605 1.00 0.00 H new ATOM 0 HH TYR A 61 -19.653 7.739 11.358 1.00 0.00 H new ATOM 908 N SER A 62 -24.631 8.944 8.359 1.00 0.00 N ATOM 909 CA SER A 62 -25.443 9.463 9.499 1.00 0.00 C ATOM 910 C SER A 62 -24.885 8.967 10.836 1.00 0.00 C ATOM 911 O SER A 62 -23.887 8.270 10.892 1.00 0.00 O ATOM 912 CB SER A 62 -26.851 8.911 9.269 1.00 0.00 C ATOM 913 OG SER A 62 -27.773 9.618 10.089 1.00 0.00 O ATOM 0 H SER A 62 -24.135 8.072 8.545 1.00 0.00 H new ATOM 0 HA SER A 62 -25.430 10.552 9.542 1.00 0.00 H new ATOM 0 HB2 SER A 62 -27.127 9.014 8.220 1.00 0.00 H new ATOM 0 HB3 SER A 62 -26.880 7.847 9.504 1.00 0.00 H new ATOM 0 HG SER A 62 -28.676 9.268 9.943 1.00 0.00 H new ATOM 919 N GLY A 63 -25.532 9.326 11.912 1.00 0.00 N ATOM 920 CA GLY A 63 -25.065 8.890 13.261 1.00 0.00 C ATOM 921 C GLY A 63 -26.083 9.321 14.320 1.00 0.00 C ATOM 922 O GLY A 63 -27.126 8.693 14.400 1.00 0.00 O ATOM 923 OXT GLY A 63 -25.802 10.272 15.030 1.00 0.00 O ATOM 0 H GLY A 63 -26.370 9.907 11.915 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -24.940 7.807 13.281 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -24.091 9.328 13.479 1.00 0.00 H new TER 927 GLY A 63