USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 ASP N :NH3+ 167:sc= -0.052 (180deg=-0.399) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -153:sc= -0.161 (180deg=-0.748) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.000312 X(o=-0.00031,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 89:sc= 0.913 USER MOD Single : A 21 THR OG1 : rot -91:sc= -0.548 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 126:sc= 1.02 USER MOD Single : A 35 GLN : amide:sc= -0.792 K(o=-0.79,f=-0.0033) USER MOD Single : A 38 GLN : amide:sc= 0.214 X(o=0.21,f=-0.2) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -120:sc= -1.02 (180deg=-1.51!) USER MOD Single : A 51 THR OG1 : rot -11:sc= -0.716 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.00846) USER MOD Single : A 58 SER OG : rot 180:sc= -0.485 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.139 USER MOD Single : A 78 ASN : amide:sc= -0.0166 K(o=-0.017,f=-0.72) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 14.119 0.882 -6.502 1.00 0.00 N ATOM 2 CA ASP A 1 13.993 2.215 -7.148 1.00 0.00 C ATOM 3 C ASP A 1 12.637 2.372 -7.829 1.00 0.00 C ATOM 4 O ASP A 1 11.781 1.491 -7.738 1.00 0.00 O ATOM 5 CB ASP A 1 15.118 2.369 -8.173 1.00 0.00 C ATOM 6 CG ASP A 1 15.567 1.039 -8.746 1.00 0.00 C ATOM 7 OD1 ASP A 1 14.722 0.330 -9.333 1.00 0.00 O ATOM 8 OD2 ASP A 1 16.763 0.706 -8.609 1.00 0.00 O ATOM 0 H1 ASP A 1 15.112 0.715 -6.241 1.00 0.00 H new ATOM 0 H2 ASP A 1 13.527 0.853 -5.647 1.00 0.00 H new ATOM 0 H3 ASP A 1 13.806 0.144 -7.165 1.00 0.00 H new ATOM 0 HA ASP A 1 14.070 2.990 -6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 1 14.781 3.015 -8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 1 15.968 2.864 -7.703 1.00 0.00 H new ATOM 15 N TYR A 2 12.448 3.498 -8.509 1.00 0.00 N ATOM 16 CA TYR A 2 11.196 3.771 -9.205 1.00 0.00 C ATOM 17 C TYR A 2 11.026 2.844 -10.404 1.00 0.00 C ATOM 18 O TYR A 2 11.927 2.076 -10.740 1.00 0.00 O ATOM 19 CB TYR A 2 11.148 5.232 -9.661 1.00 0.00 C ATOM 20 CG TYR A 2 12.350 5.655 -10.476 1.00 0.00 C ATOM 21 CD1 TYR A 2 12.371 5.496 -11.855 1.00 0.00 C ATOM 22 CD2 TYR A 2 13.463 6.217 -9.864 1.00 0.00 C ATOM 23 CE1 TYR A 2 13.467 5.882 -12.602 1.00 0.00 C ATOM 24 CE2 TYR A 2 14.563 6.608 -10.604 1.00 0.00 C ATOM 25 CZ TYR A 2 14.561 6.439 -11.972 1.00 0.00 C ATOM 26 OH TYR A 2 15.653 6.825 -12.712 1.00 0.00 O ATOM 0 H TYR A 2 13.146 4.237 -8.593 1.00 0.00 H new ATOM 0 HA TYR A 2 10.376 3.589 -8.510 1.00 0.00 H new ATOM 0 HB2 TYR A 2 10.246 5.389 -10.252 1.00 0.00 H new ATOM 0 HB3 TYR A 2 11.070 5.875 -8.784 1.00 0.00 H new ATOM 0 HD1 TYR A 2 11.516 5.063 -12.352 1.00 0.00 H new ATOM 0 HD2 TYR A 2 13.469 6.351 -8.792 1.00 0.00 H new ATOM 0 HE1 TYR A 2 13.468 5.748 -13.674 1.00 0.00 H new ATOM 0 HE2 TYR A 2 15.420 7.044 -10.113 1.00 0.00 H new ATOM 0 HH TYR A 2 16.336 7.199 -12.117 1.00 0.00 H new ATOM 36 N LYS A 3 9.864 2.922 -11.046 1.00 0.00 N ATOM 37 CA LYS A 3 9.572 2.093 -12.208 1.00 0.00 C ATOM 38 C LYS A 3 10.525 2.409 -13.355 1.00 0.00 C ATOM 39 O LYS A 3 10.618 3.554 -13.802 1.00 0.00 O ATOM 40 CB LYS A 3 8.125 2.301 -12.658 1.00 0.00 C ATOM 41 CG LYS A 3 7.647 3.739 -12.535 1.00 0.00 C ATOM 42 CD LYS A 3 7.401 4.363 -13.899 1.00 0.00 C ATOM 43 CE LYS A 3 6.427 5.527 -13.812 1.00 0.00 C ATOM 44 NZ LYS A 3 5.085 5.095 -13.334 1.00 0.00 N ATOM 0 H LYS A 3 9.108 3.553 -10.779 1.00 0.00 H new ATOM 0 HA LYS A 3 9.710 1.050 -11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.027 1.983 -13.696 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.474 1.659 -12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.728 3.769 -11.949 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.390 4.325 -11.994 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.346 4.709 -14.318 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.008 3.608 -14.580 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.826 6.284 -13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.330 5.993 -14.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.360 5.743 -13.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.890 4.131 -13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.066 5.109 -12.294 1.00 0.00 H new ATOM 58 N ASP A 4 11.233 1.389 -13.828 1.00 0.00 N ATOM 59 CA ASP A 4 12.182 1.557 -14.924 1.00 0.00 C ATOM 60 C ASP A 4 11.454 1.736 -16.253 1.00 0.00 C ATOM 61 O ASP A 4 11.958 2.393 -17.163 1.00 0.00 O ATOM 62 CB ASP A 4 13.121 0.352 -15.002 1.00 0.00 C ATOM 63 CG ASP A 4 14.582 0.758 -15.023 1.00 0.00 C ATOM 64 OD1 ASP A 4 15.120 0.981 -16.129 1.00 0.00 O ATOM 65 OD2 ASP A 4 15.188 0.854 -13.935 1.00 0.00 O ATOM 0 H ASP A 4 11.168 0.436 -13.470 1.00 0.00 H new ATOM 0 HA ASP A 4 12.769 2.455 -14.729 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.941 -0.302 -14.149 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.894 -0.225 -15.899 1.00 0.00 H new ATOM 70 N ASP A 5 10.267 1.146 -16.356 1.00 0.00 N ATOM 71 CA ASP A 5 9.470 1.239 -17.573 1.00 0.00 C ATOM 72 C ASP A 5 8.185 2.024 -17.325 1.00 0.00 C ATOM 73 O ASP A 5 8.116 3.223 -17.596 1.00 0.00 O ATOM 74 CB ASP A 5 9.137 -0.159 -18.098 1.00 0.00 C ATOM 75 CG ASP A 5 8.897 -0.173 -19.596 1.00 0.00 C ATOM 76 OD1 ASP A 5 7.876 0.393 -20.039 1.00 0.00 O ATOM 77 OD2 ASP A 5 9.731 -0.751 -20.324 1.00 0.00 O ATOM 0 H ASP A 5 9.836 0.599 -15.611 1.00 0.00 H new ATOM 0 HA ASP A 5 10.058 1.769 -18.322 1.00 0.00 H new ATOM 0 HB2 ASP A 5 9.955 -0.839 -17.858 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.250 -0.534 -17.587 1.00 0.00 H new ATOM 82 N ASP A 6 7.173 1.339 -16.806 1.00 0.00 N ATOM 83 CA ASP A 6 5.888 1.969 -16.519 1.00 0.00 C ATOM 84 C ASP A 6 5.230 1.327 -15.303 1.00 0.00 C ATOM 85 O ASP A 6 4.564 2.001 -14.516 1.00 0.00 O ATOM 86 CB ASP A 6 4.962 1.864 -17.732 1.00 0.00 C ATOM 87 CG ASP A 6 4.431 3.214 -18.172 1.00 0.00 C ATOM 88 OD1 ASP A 6 5.232 4.036 -18.664 1.00 0.00 O ATOM 89 OD2 ASP A 6 3.212 3.448 -18.026 1.00 0.00 O ATOM 0 H ASP A 6 7.216 0.346 -16.575 1.00 0.00 H new ATOM 0 HA ASP A 6 6.067 3.022 -16.300 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.502 1.402 -18.559 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.125 1.208 -17.491 1.00 0.00 H new ATOM 94 N ASP A 7 5.422 0.020 -15.156 1.00 0.00 N ATOM 95 CA ASP A 7 4.849 -0.717 -14.036 1.00 0.00 C ATOM 96 C ASP A 7 5.930 -1.110 -13.035 1.00 0.00 C ATOM 97 O ASP A 7 7.120 -0.911 -13.283 1.00 0.00 O ATOM 98 CB ASP A 7 4.123 -1.967 -14.538 1.00 0.00 C ATOM 99 CG ASP A 7 2.736 -2.109 -13.944 1.00 0.00 C ATOM 100 OD1 ASP A 7 1.906 -1.199 -14.148 1.00 0.00 O ATOM 101 OD2 ASP A 7 2.479 -3.131 -13.273 1.00 0.00 O ATOM 0 H ASP A 7 5.971 -0.551 -15.799 1.00 0.00 H new ATOM 0 HA ASP A 7 4.132 -0.067 -13.534 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.047 -1.928 -15.625 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.713 -2.850 -14.291 1.00 0.00 H new ATOM 106 N LYS A 8 5.510 -1.669 -11.905 1.00 0.00 N ATOM 107 CA LYS A 8 6.444 -2.090 -10.867 1.00 0.00 C ATOM 108 C LYS A 8 6.868 -3.541 -11.074 1.00 0.00 C ATOM 109 O LYS A 8 6.183 -4.307 -11.751 1.00 0.00 O ATOM 110 CB LYS A 8 5.813 -1.924 -9.484 1.00 0.00 C ATOM 111 CG LYS A 8 5.095 -0.597 -9.297 1.00 0.00 C ATOM 112 CD LYS A 8 5.564 0.119 -8.041 1.00 0.00 C ATOM 113 CE LYS A 8 4.671 -0.198 -6.852 1.00 0.00 C ATOM 114 NZ LYS A 8 5.452 -0.705 -5.690 1.00 0.00 N ATOM 0 H LYS A 8 4.529 -1.841 -11.685 1.00 0.00 H new ATOM 0 HA LYS A 8 7.329 -1.458 -10.932 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.106 -2.737 -9.317 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.591 -2.017 -8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.270 0.038 -10.166 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.020 -0.769 -9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.589 -0.174 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.571 1.195 -8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.125 0.699 -6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.929 -0.942 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.807 -0.909 -4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.953 -1.575 -5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.143 0.015 -5.395 1.00 0.00 H new ATOM 128 N VAL A 9 8.001 -3.909 -10.487 1.00 0.00 N ATOM 129 CA VAL A 9 8.518 -5.268 -10.606 1.00 0.00 C ATOM 130 C VAL A 9 9.037 -5.777 -9.265 1.00 0.00 C ATOM 131 O VAL A 9 9.113 -5.027 -8.293 1.00 0.00 O ATOM 132 CB VAL A 9 9.651 -5.350 -11.647 1.00 0.00 C ATOM 133 CG1 VAL A 9 9.096 -5.195 -13.055 1.00 0.00 C ATOM 134 CG2 VAL A 9 10.715 -4.299 -11.366 1.00 0.00 C ATOM 0 H VAL A 9 8.579 -3.286 -9.924 1.00 0.00 H new ATOM 0 HA VAL A 9 7.688 -5.894 -10.934 1.00 0.00 H new ATOM 0 HB VAL A 9 10.117 -6.333 -11.571 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.911 -5.256 -13.776 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.377 -5.990 -13.252 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.602 -4.228 -13.147 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.506 -4.374 -12.112 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.267 -3.306 -11.410 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.135 -4.463 -10.374 1.00 0.00 H new ATOM 144 N LYS A 10 9.392 -7.057 -9.223 1.00 0.00 N ATOM 145 CA LYS A 10 9.904 -7.668 -8.002 1.00 0.00 C ATOM 146 C LYS A 10 11.361 -8.087 -8.173 1.00 0.00 C ATOM 147 O LYS A 10 11.815 -9.057 -7.566 1.00 0.00 O ATOM 148 CB LYS A 10 9.053 -8.882 -7.620 1.00 0.00 C ATOM 149 CG LYS A 10 7.565 -8.582 -7.545 1.00 0.00 C ATOM 150 CD LYS A 10 7.124 -8.296 -6.119 1.00 0.00 C ATOM 151 CE LYS A 10 5.691 -7.790 -6.069 1.00 0.00 C ATOM 152 NZ LYS A 10 5.290 -7.392 -4.692 1.00 0.00 N ATOM 0 H LYS A 10 9.335 -7.691 -10.020 1.00 0.00 H new ATOM 0 HA LYS A 10 9.849 -6.928 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 10 9.219 -9.675 -8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.388 -9.261 -6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.334 -7.725 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.002 -9.429 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.212 -9.203 -5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.788 -7.555 -5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.584 -6.937 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.019 -8.567 -6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.307 -7.053 -4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.368 -8.212 -4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.915 -6.632 -4.354 1.00 0.00 H new ATOM 166 N LEU A 11 12.088 -7.348 -9.004 1.00 0.00 N ATOM 167 CA LEU A 11 13.495 -7.640 -9.256 1.00 0.00 C ATOM 168 C LEU A 11 14.394 -6.873 -8.291 1.00 0.00 C ATOM 169 O LEU A 11 15.615 -6.853 -8.447 1.00 0.00 O ATOM 170 CB LEU A 11 13.859 -7.287 -10.700 1.00 0.00 C ATOM 171 CG LEU A 11 14.533 -8.410 -11.490 1.00 0.00 C ATOM 172 CD1 LEU A 11 13.489 -9.316 -12.125 1.00 0.00 C ATOM 173 CD2 LEU A 11 15.459 -7.835 -12.550 1.00 0.00 C ATOM 0 H LEU A 11 11.727 -6.542 -9.515 1.00 0.00 H new ATOM 0 HA LEU A 11 13.652 -8.707 -9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.952 -6.988 -11.225 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.522 -6.422 -10.691 1.00 0.00 H new ATOM 0 HG LEU A 11 15.130 -9.006 -10.800 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.987 -10.109 -12.683 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.867 -9.756 -11.346 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.865 -8.733 -12.802 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.930 -8.649 -13.102 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.884 -7.215 -13.238 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.228 -7.229 -12.071 1.00 0.00 H new ATOM 185 N THR A 12 13.781 -6.244 -7.293 1.00 0.00 N ATOM 186 CA THR A 12 14.525 -5.475 -6.302 1.00 0.00 C ATOM 187 C THR A 12 14.973 -6.361 -5.144 1.00 0.00 C ATOM 188 O THR A 12 14.161 -7.050 -4.526 1.00 0.00 O ATOM 189 CB THR A 12 13.684 -4.311 -5.745 1.00 0.00 C ATOM 190 OG1 THR A 12 12.550 -4.077 -6.589 1.00 0.00 O ATOM 191 CG2 THR A 12 14.517 -3.043 -5.645 1.00 0.00 C ATOM 0 H THR A 12 12.771 -6.252 -7.149 1.00 0.00 H new ATOM 0 HA THR A 12 15.401 -5.070 -6.809 1.00 0.00 H new ATOM 0 HB THR A 12 13.343 -4.584 -4.746 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.020 -3.337 -6.227 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.903 -2.234 -5.249 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.363 -3.215 -4.980 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.883 -2.769 -6.634 1.00 0.00 H new ATOM 199 N CYS A 13 16.271 -6.339 -4.857 1.00 0.00 N ATOM 200 CA CYS A 13 16.828 -7.142 -3.774 1.00 0.00 C ATOM 201 C CYS A 13 18.047 -6.460 -3.160 1.00 0.00 C ATOM 202 O CYS A 13 18.654 -6.978 -2.223 1.00 0.00 O ATOM 203 CB CYS A 13 17.211 -8.532 -4.286 1.00 0.00 C ATOM 204 SG CYS A 13 16.615 -9.901 -3.241 1.00 0.00 S ATOM 0 H CYS A 13 16.956 -5.774 -5.359 1.00 0.00 H new ATOM 0 HA CYS A 13 16.065 -7.244 -3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 13 16.814 -8.659 -5.293 1.00 0.00 H new ATOM 0 HB3 CYS A 13 18.297 -8.593 -4.362 1.00 0.00 H new ATOM 209 N TYR A 14 18.399 -5.295 -3.696 1.00 0.00 N ATOM 210 CA TYR A 14 19.545 -4.541 -3.202 1.00 0.00 C ATOM 211 C TYR A 14 19.095 -3.261 -2.506 1.00 0.00 C ATOM 212 O TYR A 14 18.005 -2.752 -2.768 1.00 0.00 O ATOM 213 CB TYR A 14 20.493 -4.201 -4.354 1.00 0.00 C ATOM 214 CG TYR A 14 21.956 -4.267 -3.978 1.00 0.00 C ATOM 215 CD1 TYR A 14 22.586 -3.190 -3.368 1.00 0.00 C ATOM 216 CD2 TYR A 14 22.708 -5.408 -4.232 1.00 0.00 C ATOM 217 CE1 TYR A 14 23.923 -3.247 -3.023 1.00 0.00 C ATOM 218 CE2 TYR A 14 24.045 -5.472 -3.890 1.00 0.00 C ATOM 219 CZ TYR A 14 24.648 -4.389 -3.286 1.00 0.00 C ATOM 220 OH TYR A 14 25.979 -4.450 -2.943 1.00 0.00 O ATOM 0 H TYR A 14 17.907 -4.853 -4.472 1.00 0.00 H new ATOM 0 HA TYR A 14 20.072 -5.162 -2.477 1.00 0.00 H new ATOM 0 HB2 TYR A 14 20.308 -4.888 -5.180 1.00 0.00 H new ATOM 0 HB3 TYR A 14 20.265 -3.199 -4.716 1.00 0.00 H new ATOM 0 HD1 TYR A 14 22.022 -2.293 -3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 14 22.239 -6.259 -4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 14 24.398 -2.400 -2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 14 24.615 -6.366 -4.095 1.00 0.00 H new ATOM 0 HH TYR A 14 26.342 -5.324 -3.196 1.00 0.00 H new ATOM 230 N GLN A 15 19.944 -2.748 -1.618 1.00 0.00 N ATOM 231 CA GLN A 15 19.642 -1.525 -0.878 1.00 0.00 C ATOM 232 C GLN A 15 18.366 -1.683 -0.054 1.00 0.00 C ATOM 233 O GLN A 15 18.414 -2.102 1.103 1.00 0.00 O ATOM 234 CB GLN A 15 19.508 -0.340 -1.837 1.00 0.00 C ATOM 235 CG GLN A 15 20.787 -0.021 -2.593 1.00 0.00 C ATOM 236 CD GLN A 15 20.653 1.203 -3.476 1.00 0.00 C ATOM 237 OE1 GLN A 15 20.423 2.311 -2.992 1.00 0.00 O ATOM 238 NE2 GLN A 15 20.797 1.009 -4.782 1.00 0.00 N ATOM 0 H GLN A 15 20.849 -3.162 -1.393 1.00 0.00 H new ATOM 0 HA GLN A 15 20.468 -1.333 -0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 15 18.715 -0.552 -2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 15 19.200 0.540 -1.273 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.596 0.137 -1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.065 -0.878 -3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 15 20.987 0.073 -5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.718 1.796 -5.426 1.00 0.00 H new ATOM 247 N ASN A 16 17.229 -1.344 -0.654 1.00 0.00 N ATOM 248 CA ASN A 16 15.943 -1.449 0.028 1.00 0.00 C ATOM 249 C ASN A 16 15.694 -2.876 0.507 1.00 0.00 C ATOM 250 O ASN A 16 15.323 -3.749 -0.278 1.00 0.00 O ATOM 251 CB ASN A 16 14.812 -1.007 -0.902 1.00 0.00 C ATOM 252 CG ASN A 16 13.524 -0.724 -0.153 1.00 0.00 C ATOM 253 OD1 ASN A 16 13.315 0.380 0.351 1.00 0.00 O ATOM 254 ND2 ASN A 16 12.652 -1.722 -0.075 1.00 0.00 N ATOM 0 H ASN A 16 17.172 -0.994 -1.611 1.00 0.00 H new ATOM 0 HA ASN A 16 15.968 -0.793 0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.119 -0.112 -1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.633 -1.783 -1.646 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.768 -1.590 0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.866 -2.621 -0.507 1.00 0.00 H new ATOM 261 N GLY A 17 15.905 -3.106 1.799 1.00 0.00 N ATOM 262 CA GLY A 17 15.701 -4.428 2.361 1.00 0.00 C ATOM 263 C GLY A 17 14.876 -4.400 3.631 1.00 0.00 C ATOM 264 O GLY A 17 14.611 -5.444 4.228 1.00 0.00 O ATOM 0 H GLY A 17 16.214 -2.400 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 17 15.205 -5.060 1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.669 -4.883 2.571 1.00 0.00 H new ATOM 268 N VAL A 18 14.468 -3.200 4.046 1.00 0.00 N ATOM 269 CA VAL A 18 13.665 -3.032 5.255 1.00 0.00 C ATOM 270 C VAL A 18 14.459 -3.411 6.503 1.00 0.00 C ATOM 271 O VAL A 18 15.277 -4.330 6.474 1.00 0.00 O ATOM 272 CB VAL A 18 12.375 -3.877 5.196 1.00 0.00 C ATOM 273 CG1 VAL A 18 11.516 -3.638 6.429 1.00 0.00 C ATOM 274 CG2 VAL A 18 11.593 -3.570 3.928 1.00 0.00 C ATOM 0 H VAL A 18 14.682 -2.329 3.560 1.00 0.00 H new ATOM 0 HA VAL A 18 13.394 -1.978 5.311 1.00 0.00 H new ATOM 0 HB VAL A 18 12.657 -4.930 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.612 -4.244 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.076 -3.915 7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.243 -2.584 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.687 -4.175 3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.324 -2.514 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.207 -3.801 3.057 1.00 0.00 H new ATOM 284 N SER A 19 14.211 -2.697 7.598 1.00 0.00 N ATOM 285 CA SER A 19 14.904 -2.962 8.856 1.00 0.00 C ATOM 286 C SER A 19 14.690 -4.407 9.294 1.00 0.00 C ATOM 287 O SER A 19 13.670 -5.015 8.972 1.00 0.00 O ATOM 288 CB SER A 19 14.419 -2.009 9.949 1.00 0.00 C ATOM 289 OG SER A 19 13.767 -0.880 9.394 1.00 0.00 O ATOM 0 H SER A 19 13.537 -1.932 7.640 1.00 0.00 H new ATOM 0 HA SER A 19 15.970 -2.799 8.695 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.736 -2.535 10.616 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.266 -1.683 10.552 1.00 0.00 H new ATOM 0 HG SER A 19 12.812 -1.072 9.289 1.00 0.00 H new ATOM 295 N PHE A 20 15.656 -4.951 10.027 1.00 0.00 N ATOM 296 CA PHE A 20 15.565 -6.327 10.502 1.00 0.00 C ATOM 297 C PHE A 20 15.384 -6.378 12.014 1.00 0.00 C ATOM 298 O PHE A 20 15.848 -5.497 12.737 1.00 0.00 O ATOM 299 CB PHE A 20 16.812 -7.114 10.096 1.00 0.00 C ATOM 300 CG PHE A 20 16.677 -7.807 8.768 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.483 -8.405 8.399 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.745 -7.857 7.890 1.00 0.00 C ATOM 303 CE1 PHE A 20 15.357 -9.040 7.180 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.627 -8.490 6.667 1.00 0.00 C ATOM 305 CZ PHE A 20 16.431 -9.083 6.312 1.00 0.00 C ATOM 0 H PHE A 20 16.507 -4.463 10.304 1.00 0.00 H new ATOM 0 HA PHE A 20 14.690 -6.783 10.039 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.664 -6.435 10.058 1.00 0.00 H new ATOM 0 HB3 PHE A 20 17.030 -7.856 10.864 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.640 -8.374 9.074 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.682 -7.396 8.164 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.421 -9.502 6.905 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.468 -8.521 5.990 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.336 -9.579 5.358 1.00 0.00 H new ATOM 315 N THR A 21 14.707 -7.421 12.485 1.00 0.00 N ATOM 316 CA THR A 21 14.461 -7.592 13.912 1.00 0.00 C ATOM 317 C THR A 21 14.056 -9.028 14.231 1.00 0.00 C ATOM 318 O THR A 21 13.805 -9.828 13.331 1.00 0.00 O ATOM 319 CB THR A 21 13.363 -6.635 14.413 1.00 0.00 C ATOM 320 OG1 THR A 21 12.965 -6.991 15.743 1.00 0.00 O ATOM 321 CG2 THR A 21 12.152 -6.668 13.492 1.00 0.00 C ATOM 0 H THR A 21 14.319 -8.160 11.899 1.00 0.00 H new ATOM 0 HA THR A 21 15.394 -7.358 14.424 1.00 0.00 H new ATOM 0 HB THR A 21 13.772 -5.625 14.416 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.215 -7.621 15.703 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.391 -5.984 13.867 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.450 -6.364 12.488 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.747 -7.679 13.460 1.00 0.00 H new ATOM 329 N GLY A 22 13.995 -9.343 15.520 1.00 0.00 N ATOM 330 CA GLY A 22 13.620 -10.681 15.941 1.00 0.00 C ATOM 331 C GLY A 22 14.802 -11.630 15.979 1.00 0.00 C ATOM 332 O GLY A 22 15.019 -12.322 16.974 1.00 0.00 O ATOM 0 H GLY A 22 14.199 -8.696 16.282 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.165 -10.633 16.930 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.864 -11.074 15.261 1.00 0.00 H new ATOM 336 N GLY A 23 15.570 -11.659 14.893 1.00 0.00 N ATOM 337 CA GLY A 23 16.727 -12.531 14.827 1.00 0.00 C ATOM 338 C GLY A 23 17.845 -12.083 15.747 1.00 0.00 C ATOM 339 O GLY A 23 17.700 -11.103 16.479 1.00 0.00 O ATOM 0 H GLY A 23 15.411 -11.094 14.059 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.429 -13.546 15.091 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.096 -12.563 13.802 1.00 0.00 H new ATOM 343 N LYS A 24 18.962 -12.802 15.713 1.00 0.00 N ATOM 344 CA LYS A 24 20.108 -12.473 16.552 1.00 0.00 C ATOM 345 C LYS A 24 21.307 -12.059 15.704 1.00 0.00 C ATOM 346 O LYS A 24 22.047 -12.906 15.204 1.00 0.00 O ATOM 347 CB LYS A 24 20.480 -13.668 17.433 1.00 0.00 C ATOM 348 CG LYS A 24 19.874 -13.609 18.826 1.00 0.00 C ATOM 349 CD LYS A 24 20.948 -13.626 19.902 1.00 0.00 C ATOM 350 CE LYS A 24 20.604 -14.600 21.017 1.00 0.00 C ATOM 351 NZ LYS A 24 20.122 -13.898 22.240 1.00 0.00 N ATOM 0 H LYS A 24 19.098 -13.616 15.114 1.00 0.00 H new ATOM 0 HA LYS A 24 19.830 -11.632 17.188 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.154 -14.585 16.943 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.565 -13.721 17.520 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.273 -12.705 18.925 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.202 -14.455 18.968 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.905 -13.902 19.458 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.066 -12.625 20.316 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.837 -15.293 20.670 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.483 -15.195 21.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.898 -14.598 22.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.863 -13.256 22.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.268 -13.350 22.012 1.00 0.00 H new ATOM 365 N ALA A 25 21.492 -10.752 15.549 1.00 0.00 N ATOM 366 CA ALA A 25 22.602 -10.225 14.764 1.00 0.00 C ATOM 367 C ALA A 25 23.940 -10.651 15.355 1.00 0.00 C ATOM 368 O ALA A 25 24.195 -10.454 16.544 1.00 0.00 O ATOM 369 CB ALA A 25 22.520 -8.706 14.686 1.00 0.00 C ATOM 0 H ALA A 25 20.888 -10.039 15.957 1.00 0.00 H new ATOM 0 HA ALA A 25 22.529 -10.635 13.757 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.355 -8.326 14.097 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.581 -8.416 14.214 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.565 -8.287 15.691 1.00 0.00 H new ATOM 375 N ILE A 26 24.797 -11.231 14.518 1.00 0.00 N ATOM 376 CA ILE A 26 26.112 -11.675 14.964 1.00 0.00 C ATOM 377 C ILE A 26 26.951 -10.485 15.407 1.00 0.00 C ATOM 378 O ILE A 26 27.910 -10.628 16.165 1.00 0.00 O ATOM 379 CB ILE A 26 26.862 -12.435 13.851 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.145 -11.508 12.667 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.058 -13.646 13.403 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.592 -11.081 12.562 1.00 0.00 C ATOM 0 H ILE A 26 24.604 -11.403 13.531 1.00 0.00 H new ATOM 0 HA ILE A 26 25.957 -12.352 15.804 1.00 0.00 H new ATOM 0 HB ILE A 26 27.815 -12.782 14.249 1.00 0.00 H new ATOM 0 HG12 ILE A 26 26.856 -12.012 11.745 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.519 -10.620 12.754 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.600 -14.172 12.617 1.00 0.00 H new ATOM 0 HG22 ILE A 26 25.906 -14.315 14.250 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.091 -13.319 13.020 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.716 -10.426 11.700 1.00 0.00 H new ATOM 0 HD12 ILE A 26 28.881 -10.548 13.468 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.223 -11.961 12.443 1.00 0.00 H new ATOM 394 N SER A 27 26.571 -9.309 14.922 1.00 0.00 N ATOM 395 CA SER A 27 27.265 -8.073 15.249 1.00 0.00 C ATOM 396 C SER A 27 26.492 -6.881 14.711 1.00 0.00 C ATOM 397 O SER A 27 25.809 -6.980 13.694 1.00 0.00 O ATOM 398 CB SER A 27 28.680 -8.086 14.672 1.00 0.00 C ATOM 399 OG SER A 27 29.549 -7.259 15.426 1.00 0.00 O ATOM 0 H SER A 27 25.777 -9.187 14.294 1.00 0.00 H new ATOM 0 HA SER A 27 27.333 -7.990 16.334 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.062 -9.107 14.663 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.657 -7.745 13.637 1.00 0.00 H new ATOM 0 HG SER A 27 30.448 -7.287 15.036 1.00 0.00 H new ATOM 405 N GLU A 28 26.589 -5.758 15.408 1.00 0.00 N ATOM 406 CA GLU A 28 25.884 -4.551 15.004 1.00 0.00 C ATOM 407 C GLU A 28 26.733 -3.314 15.263 1.00 0.00 C ATOM 408 O GLU A 28 27.382 -3.202 16.303 1.00 0.00 O ATOM 409 CB GLU A 28 24.561 -4.432 15.760 1.00 0.00 C ATOM 410 CG GLU A 28 24.107 -5.728 16.415 1.00 0.00 C ATOM 411 CD GLU A 28 23.493 -5.505 17.784 1.00 0.00 C ATOM 412 OE1 GLU A 28 22.610 -4.629 17.903 1.00 0.00 O ATOM 413 OE2 GLU A 28 23.895 -6.207 18.736 1.00 0.00 O ATOM 0 H GLU A 28 27.148 -5.658 16.255 1.00 0.00 H new ATOM 0 HA GLU A 28 25.684 -4.620 13.935 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.660 -3.664 16.527 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.788 -4.095 15.069 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.379 -6.221 15.770 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.959 -6.402 16.508 1.00 0.00 H new ATOM 420 N ALA A 29 26.718 -2.387 14.315 1.00 0.00 N ATOM 421 CA ALA A 29 27.483 -1.153 14.446 1.00 0.00 C ATOM 422 C ALA A 29 26.567 0.022 14.773 1.00 0.00 C ATOM 423 O ALA A 29 25.345 -0.087 14.678 1.00 0.00 O ATOM 424 CB ALA A 29 28.266 -0.878 13.171 1.00 0.00 C ATOM 0 H ALA A 29 26.186 -2.465 13.448 1.00 0.00 H new ATOM 0 HA ALA A 29 28.187 -1.274 15.269 1.00 0.00 H new ATOM 0 HB1 ALA A 29 28.832 0.047 13.284 1.00 0.00 H new ATOM 0 HB2 ALA A 29 28.953 -1.703 12.981 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.575 -0.780 12.334 1.00 0.00 H new ATOM 430 N LYS A 30 27.165 1.143 15.159 1.00 0.00 N ATOM 431 CA LYS A 30 26.402 2.339 15.497 1.00 0.00 C ATOM 432 C LYS A 30 26.691 3.455 14.499 1.00 0.00 C ATOM 433 O LYS A 30 27.112 4.549 14.875 1.00 0.00 O ATOM 434 CB LYS A 30 26.736 2.803 16.916 1.00 0.00 C ATOM 435 CG LYS A 30 25.524 3.273 17.704 1.00 0.00 C ATOM 436 CD LYS A 30 25.578 4.768 17.970 1.00 0.00 C ATOM 437 CE LYS A 30 24.361 5.238 18.753 1.00 0.00 C ATOM 438 NZ LYS A 30 23.211 5.546 17.859 1.00 0.00 N ATOM 0 H LYS A 30 28.176 1.249 15.246 1.00 0.00 H new ATOM 0 HA LYS A 30 25.341 2.094 15.450 1.00 0.00 H new ATOM 0 HB2 LYS A 30 27.213 1.984 17.454 1.00 0.00 H new ATOM 0 HB3 LYS A 30 27.461 3.615 16.862 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.615 3.033 17.153 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.474 2.736 18.651 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.485 5.007 18.526 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.633 5.306 17.023 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.069 4.468 19.467 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.621 6.126 19.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.402 5.863 18.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.480 6.298 17.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.946 4.692 17.327 1.00 0.00 H new ATOM 452 N ALA A 31 26.464 3.165 13.222 1.00 0.00 N ATOM 453 CA ALA A 31 26.706 4.134 12.162 1.00 0.00 C ATOM 454 C ALA A 31 25.398 4.669 11.591 1.00 0.00 C ATOM 455 O ALA A 31 24.371 3.992 11.622 1.00 0.00 O ATOM 456 CB ALA A 31 27.538 3.501 11.058 1.00 0.00 C ATOM 0 H ALA A 31 26.112 2.265 12.897 1.00 0.00 H new ATOM 0 HA ALA A 31 27.254 4.973 12.590 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.714 4.233 10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.493 3.171 11.466 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.004 2.645 10.646 1.00 0.00 H new ATOM 462 N ALA A 32 25.449 5.887 11.060 1.00 0.00 N ATOM 463 CA ALA A 32 24.274 6.514 10.469 1.00 0.00 C ATOM 464 C ALA A 32 24.201 6.216 8.976 1.00 0.00 C ATOM 465 O ALA A 32 23.192 6.486 8.325 1.00 0.00 O ATOM 466 CB ALA A 32 24.297 8.015 10.712 1.00 0.00 C ATOM 0 H ALA A 32 26.293 6.459 11.027 1.00 0.00 H new ATOM 0 HA ALA A 32 23.385 6.099 10.945 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.413 8.470 10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.302 8.210 11.784 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.192 8.443 10.261 1.00 0.00 H new ATOM 472 N SER A 33 25.282 5.653 8.445 1.00 0.00 N ATOM 473 CA SER A 33 25.353 5.309 7.030 1.00 0.00 C ATOM 474 C SER A 33 25.958 3.921 6.840 1.00 0.00 C ATOM 475 O SER A 33 26.897 3.542 7.540 1.00 0.00 O ATOM 476 CB SER A 33 26.183 6.348 6.271 1.00 0.00 C ATOM 477 OG SER A 33 26.888 7.191 7.166 1.00 0.00 O ATOM 0 H SER A 33 26.123 5.425 8.976 1.00 0.00 H new ATOM 0 HA SER A 33 24.339 5.303 6.631 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.888 5.843 5.611 1.00 0.00 H new ATOM 0 HB3 SER A 33 25.529 6.949 5.639 1.00 0.00 H new ATOM 0 HG SER A 33 27.411 7.844 6.656 1.00 0.00 H new ATOM 483 N SER A 34 25.410 3.169 5.892 1.00 0.00 N ATOM 484 CA SER A 34 25.887 1.819 5.605 1.00 0.00 C ATOM 485 C SER A 34 27.364 1.820 5.263 1.00 0.00 C ATOM 486 O SER A 34 28.069 0.849 5.519 1.00 0.00 O ATOM 487 CB SER A 34 25.109 1.225 4.444 1.00 0.00 C ATOM 488 OG SER A 34 25.832 0.171 3.831 1.00 0.00 O ATOM 0 H SER A 34 24.632 3.472 5.306 1.00 0.00 H new ATOM 0 HA SER A 34 25.734 1.216 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 34 24.148 0.853 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.898 2.001 3.708 1.00 0.00 H new ATOM 0 HG SER A 34 25.274 -0.634 3.800 1.00 0.00 H new ATOM 494 N GLN A 35 27.822 2.915 4.673 1.00 0.00 N ATOM 495 CA GLN A 35 29.217 3.045 4.290 1.00 0.00 C ATOM 496 C GLN A 35 30.118 2.658 5.457 1.00 0.00 C ATOM 497 O GLN A 35 31.063 1.879 5.302 1.00 0.00 O ATOM 498 CB GLN A 35 29.486 4.479 3.837 1.00 0.00 C ATOM 499 CG GLN A 35 30.936 4.916 3.980 1.00 0.00 C ATOM 500 CD GLN A 35 31.825 4.359 2.886 1.00 0.00 C ATOM 501 OE1 GLN A 35 32.413 5.109 2.106 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.928 3.036 2.821 1.00 0.00 N ATOM 0 H GLN A 35 27.245 3.726 4.450 1.00 0.00 H new ATOM 0 HA GLN A 35 29.436 2.372 3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.189 4.580 2.793 1.00 0.00 H new ATOM 0 HB3 GLN A 35 28.856 5.155 4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 35 30.986 6.005 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.315 4.593 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 35 31.423 2.452 3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 35 32.512 2.605 2.105 1.00 0.00 H new ATOM 511 N ALA A 36 29.799 3.182 6.633 1.00 0.00 N ATOM 512 CA ALA A 36 30.555 2.871 7.836 1.00 0.00 C ATOM 513 C ALA A 36 30.236 1.454 8.295 1.00 0.00 C ATOM 514 O ALA A 36 31.051 0.798 8.944 1.00 0.00 O ATOM 515 CB ALA A 36 30.243 3.874 8.936 1.00 0.00 C ATOM 0 H ALA A 36 29.021 3.825 6.778 1.00 0.00 H new ATOM 0 HA ALA A 36 31.620 2.936 7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.817 3.626 9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.509 4.876 8.600 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.179 3.840 9.169 1.00 0.00 H new ATOM 521 N CYS A 37 29.043 0.986 7.933 1.00 0.00 N ATOM 522 CA CYS A 37 28.603 -0.354 8.283 1.00 0.00 C ATOM 523 C CYS A 37 29.281 -1.380 7.383 1.00 0.00 C ATOM 524 O CYS A 37 29.331 -2.567 7.703 1.00 0.00 O ATOM 525 CB CYS A 37 27.083 -0.452 8.146 1.00 0.00 C ATOM 526 SG CYS A 37 26.178 0.931 8.912 1.00 0.00 S ATOM 0 H CYS A 37 28.363 1.523 7.394 1.00 0.00 H new ATOM 0 HA CYS A 37 28.879 -0.561 9.317 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.826 -0.499 7.088 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.748 -1.386 8.597 1.00 0.00 H new ATOM 531 N GLN A 38 29.811 -0.905 6.260 1.00 0.00 N ATOM 532 CA GLN A 38 30.500 -1.767 5.310 1.00 0.00 C ATOM 533 C GLN A 38 31.930 -2.008 5.771 1.00 0.00 C ATOM 534 O GLN A 38 32.388 -3.148 5.840 1.00 0.00 O ATOM 535 CB GLN A 38 30.496 -1.140 3.915 1.00 0.00 C ATOM 536 CG GLN A 38 29.118 -1.085 3.277 1.00 0.00 C ATOM 537 CD GLN A 38 29.019 -1.939 2.028 1.00 0.00 C ATOM 538 OE1 GLN A 38 29.899 -1.906 1.169 1.00 0.00 O ATOM 539 NE2 GLN A 38 27.941 -2.708 1.919 1.00 0.00 N ATOM 0 H GLN A 38 29.775 0.077 5.986 1.00 0.00 H new ATOM 0 HA GLN A 38 29.975 -2.721 5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.898 -0.129 3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 38 31.164 -1.709 3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.373 -1.418 4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.879 -0.052 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.235 -2.704 2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.819 -3.302 1.099 1.00 0.00 H new ATOM 548 N GLU A 39 32.627 -0.923 6.100 1.00 0.00 N ATOM 549 CA GLU A 39 34.002 -1.020 6.573 1.00 0.00 C ATOM 550 C GLU A 39 34.045 -1.786 7.889 1.00 0.00 C ATOM 551 O GLU A 39 35.018 -2.482 8.187 1.00 0.00 O ATOM 552 CB GLU A 39 34.607 0.374 6.755 1.00 0.00 C ATOM 553 CG GLU A 39 35.299 0.903 5.510 1.00 0.00 C ATOM 554 CD GLU A 39 36.554 0.125 5.164 1.00 0.00 C ATOM 555 OE1 GLU A 39 37.602 0.377 5.795 1.00 0.00 O ATOM 556 OE2 GLU A 39 36.488 -0.735 4.260 1.00 0.00 O ATOM 0 H GLU A 39 32.263 0.028 6.048 1.00 0.00 H new ATOM 0 HA GLU A 39 34.590 -1.557 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.818 1.068 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.324 0.346 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.607 0.861 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.556 1.952 5.660 1.00 0.00 H new ATOM 563 N LEU A 40 32.972 -1.663 8.663 1.00 0.00 N ATOM 564 CA LEU A 40 32.863 -2.352 9.943 1.00 0.00 C ATOM 565 C LEU A 40 32.617 -3.839 9.712 1.00 0.00 C ATOM 566 O LEU A 40 33.280 -4.692 10.304 1.00 0.00 O ATOM 567 CB LEU A 40 31.722 -1.732 10.768 1.00 0.00 C ATOM 568 CG LEU A 40 31.289 -2.499 12.029 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.206 -3.513 11.693 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.474 -3.182 12.695 1.00 0.00 C ATOM 0 H LEU A 40 32.163 -1.090 8.425 1.00 0.00 H new ATOM 0 HA LEU A 40 33.795 -2.240 10.498 1.00 0.00 H new ATOM 0 HB2 LEU A 40 32.024 -0.728 11.067 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.853 -1.624 10.120 1.00 0.00 H new ATOM 0 HG LEU A 40 30.881 -1.776 12.735 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.913 -4.046 12.598 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.340 -2.997 11.279 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.588 -4.224 10.961 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.135 -3.715 13.583 1.00 0.00 H new ATOM 0 HD22 LEU A 40 32.926 -3.888 11.998 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.212 -2.433 12.982 1.00 0.00 H new ATOM 582 N CYS A 41 31.660 -4.137 8.843 1.00 0.00 N ATOM 583 CA CYS A 41 31.315 -5.515 8.518 1.00 0.00 C ATOM 584 C CYS A 41 32.506 -6.249 7.910 1.00 0.00 C ATOM 585 O CYS A 41 32.630 -7.467 8.045 1.00 0.00 O ATOM 586 CB CYS A 41 30.134 -5.534 7.549 1.00 0.00 C ATOM 587 SG CYS A 41 28.970 -6.908 7.810 1.00 0.00 S ATOM 0 H CYS A 41 31.106 -3.438 8.348 1.00 0.00 H new ATOM 0 HA CYS A 41 31.037 -6.029 9.438 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.592 -4.593 7.638 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.517 -5.587 6.530 1.00 0.00 H new ATOM 592 N GLU A 42 33.380 -5.503 7.240 1.00 0.00 N ATOM 593 CA GLU A 42 34.560 -6.087 6.612 1.00 0.00 C ATOM 594 C GLU A 42 35.539 -6.598 7.663 1.00 0.00 C ATOM 595 O GLU A 42 36.357 -7.477 7.390 1.00 0.00 O ATOM 596 CB GLU A 42 35.249 -5.057 5.717 1.00 0.00 C ATOM 597 CG GLU A 42 34.648 -4.964 4.323 1.00 0.00 C ATOM 598 CD GLU A 42 35.314 -5.904 3.338 1.00 0.00 C ATOM 599 OE1 GLU A 42 35.158 -7.133 3.492 1.00 0.00 O ATOM 600 OE2 GLU A 42 35.992 -5.411 2.411 1.00 0.00 O ATOM 0 H GLU A 42 33.293 -4.494 7.118 1.00 0.00 H new ATOM 0 HA GLU A 42 34.236 -6.930 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 42 35.193 -4.078 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 42 36.306 -5.311 5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.583 -5.192 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 42 34.738 -3.940 3.960 1.00 0.00 H new ATOM 607 N LYS A 43 35.452 -6.040 8.867 1.00 0.00 N ATOM 608 CA LYS A 43 36.329 -6.437 9.962 1.00 0.00 C ATOM 609 C LYS A 43 35.754 -7.631 10.716 1.00 0.00 C ATOM 610 O LYS A 43 36.164 -7.923 11.840 1.00 0.00 O ATOM 611 CB LYS A 43 36.543 -5.266 10.922 1.00 0.00 C ATOM 612 CG LYS A 43 37.138 -4.035 10.258 1.00 0.00 C ATOM 613 CD LYS A 43 38.658 -4.094 10.236 1.00 0.00 C ATOM 614 CE LYS A 43 39.214 -3.613 8.905 1.00 0.00 C ATOM 615 NZ LYS A 43 39.503 -2.153 8.919 1.00 0.00 N ATOM 0 H LYS A 43 34.781 -5.310 9.109 1.00 0.00 H new ATOM 0 HA LYS A 43 37.289 -6.729 9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 43 35.588 -4.999 11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.200 -5.586 11.731 1.00 0.00 H new ATOM 0 HG2 LYS A 43 36.761 -3.952 9.239 1.00 0.00 H new ATOM 0 HG3 LYS A 43 36.815 -3.141 10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.059 -3.480 11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 43 38.986 -5.117 10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 43 40.127 -4.162 8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 43 38.500 -3.834 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 39.880 -1.865 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 38.627 -1.628 9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 40.204 -1.945 9.659 1.00 0.00 H new ATOM 629 N ASP A 44 34.802 -8.317 10.093 1.00 0.00 N ATOM 630 CA ASP A 44 34.170 -9.479 10.708 1.00 0.00 C ATOM 631 C ASP A 44 34.076 -10.638 9.721 1.00 0.00 C ATOM 632 O ASP A 44 33.835 -10.434 8.530 1.00 0.00 O ATOM 633 CB ASP A 44 32.775 -9.115 11.219 1.00 0.00 C ATOM 634 CG ASP A 44 32.564 -9.520 12.665 1.00 0.00 C ATOM 635 OD1 ASP A 44 32.364 -10.726 12.921 1.00 0.00 O ATOM 636 OD2 ASP A 44 32.600 -8.630 13.541 1.00 0.00 O ATOM 0 H ASP A 44 34.451 -8.089 9.163 1.00 0.00 H new ATOM 0 HA ASP A 44 34.788 -9.793 11.549 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.624 -8.040 11.120 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.025 -9.601 10.595 1.00 0.00 H new ATOM 641 N ALA A 45 34.268 -11.854 10.224 1.00 0.00 N ATOM 642 CA ALA A 45 34.204 -13.047 9.388 1.00 0.00 C ATOM 643 C ALA A 45 32.780 -13.589 9.316 1.00 0.00 C ATOM 644 O ALA A 45 32.362 -14.127 8.290 1.00 0.00 O ATOM 645 CB ALA A 45 35.150 -14.114 9.917 1.00 0.00 C ATOM 0 H ALA A 45 34.469 -12.038 11.207 1.00 0.00 H new ATOM 0 HA ALA A 45 34.513 -12.772 8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.092 -14.999 9.283 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.170 -13.731 9.912 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.867 -14.378 10.936 1.00 0.00 H new ATOM 651 N LYS A 46 32.041 -13.441 10.410 1.00 0.00 N ATOM 652 CA LYS A 46 30.662 -13.911 10.472 1.00 0.00 C ATOM 653 C LYS A 46 29.721 -12.922 9.793 1.00 0.00 C ATOM 654 O LYS A 46 28.499 -13.064 9.858 1.00 0.00 O ATOM 655 CB LYS A 46 30.238 -14.122 11.927 1.00 0.00 C ATOM 656 CG LYS A 46 30.765 -15.413 12.533 1.00 0.00 C ATOM 657 CD LYS A 46 29.647 -16.235 13.151 1.00 0.00 C ATOM 658 CE LYS A 46 29.600 -16.067 14.661 1.00 0.00 C ATOM 659 NZ LYS A 46 29.353 -14.653 15.055 1.00 0.00 N ATOM 0 H LYS A 46 32.374 -12.999 11.267 1.00 0.00 H new ATOM 0 HA LYS A 46 30.603 -14.862 9.943 1.00 0.00 H new ATOM 0 HB2 LYS A 46 30.588 -13.280 12.525 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.149 -14.122 11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 46 31.266 -15.999 11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 46 31.511 -15.181 13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 46 28.692 -15.934 12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 46 29.789 -17.287 12.905 1.00 0.00 H new ATOM 0 HE2 LYS A 46 28.815 -16.701 15.072 1.00 0.00 H new ATOM 0 HE3 LYS A 46 30.542 -16.405 15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 30.149 -14.309 15.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 29.263 -14.066 14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 28.475 -14.595 15.610 1.00 0.00 H new ATOM 673 N CYS A 47 30.300 -11.919 9.142 1.00 0.00 N ATOM 674 CA CYS A 47 29.519 -10.903 8.447 1.00 0.00 C ATOM 675 C CYS A 47 29.223 -11.332 7.015 1.00 0.00 C ATOM 676 O CYS A 47 30.123 -11.739 6.279 1.00 0.00 O ATOM 677 CB CYS A 47 30.269 -9.568 8.450 1.00 0.00 C ATOM 678 SG CYS A 47 29.922 -8.512 7.008 1.00 0.00 S ATOM 0 H CYS A 47 31.310 -11.788 9.081 1.00 0.00 H new ATOM 0 HA CYS A 47 28.572 -10.782 8.972 1.00 0.00 H new ATOM 0 HB2 CYS A 47 30.011 -9.021 9.357 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.340 -9.766 8.491 1.00 0.00 H new ATOM 683 N ARG A 48 27.954 -11.242 6.624 1.00 0.00 N ATOM 684 CA ARG A 48 27.540 -11.622 5.278 1.00 0.00 C ATOM 685 C ARG A 48 26.395 -10.741 4.790 1.00 0.00 C ATOM 686 O ARG A 48 26.500 -10.090 3.750 1.00 0.00 O ATOM 687 CB ARG A 48 27.115 -13.091 5.250 1.00 0.00 C ATOM 688 CG ARG A 48 28.068 -13.986 4.476 1.00 0.00 C ATOM 689 CD ARG A 48 27.321 -15.066 3.710 1.00 0.00 C ATOM 690 NE ARG A 48 28.151 -15.680 2.677 1.00 0.00 N ATOM 691 CZ ARG A 48 27.761 -16.710 1.933 1.00 0.00 C ATOM 692 NH1 ARG A 48 26.557 -17.240 2.106 1.00 0.00 N ATOM 693 NH2 ARG A 48 28.574 -17.211 1.013 1.00 0.00 N ATOM 0 H ARG A 48 27.196 -10.909 7.220 1.00 0.00 H new ATOM 0 HA ARG A 48 28.390 -11.483 4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.037 -13.457 6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.121 -13.165 4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 48 28.651 -13.383 3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.774 -14.450 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 48 26.981 -15.834 4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 48 26.431 -14.635 3.251 1.00 0.00 H new ATOM 0 HE ARG A 48 29.083 -15.297 2.517 1.00 0.00 H new ATOM 0 HH11 ARG A 48 25.928 -16.857 2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 48 26.261 -18.030 1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 48 29.500 -16.806 0.876 1.00 0.00 H new ATOM 0 HH22 ARG A 48 28.273 -18.001 0.443 1.00 0.00 H new ATOM 707 N PHE A 49 25.301 -10.727 5.546 1.00 0.00 N ATOM 708 CA PHE A 49 24.135 -9.927 5.189 1.00 0.00 C ATOM 709 C PHE A 49 23.925 -8.793 6.188 1.00 0.00 C ATOM 710 O PHE A 49 23.162 -8.927 7.143 1.00 0.00 O ATOM 711 CB PHE A 49 22.885 -10.808 5.130 1.00 0.00 C ATOM 712 CG PHE A 49 23.102 -12.114 4.419 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.169 -12.163 3.037 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.240 -13.292 5.137 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.369 -13.364 2.381 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.440 -14.495 4.486 1.00 0.00 C ATOM 717 CZ PHE A 49 23.504 -14.531 3.107 1.00 0.00 C ATOM 0 H PHE A 49 25.198 -11.261 6.409 1.00 0.00 H new ATOM 0 HA PHE A 49 24.312 -9.492 4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.544 -11.009 6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.087 -10.259 4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.064 -11.253 2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.191 -13.270 6.216 1.00 0.00 H new ATOM 0 HE1 PHE A 49 23.420 -13.389 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.546 -15.406 5.056 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.659 -15.470 2.597 1.00 0.00 H new ATOM 727 N PHE A 50 24.609 -7.676 5.958 1.00 0.00 N ATOM 728 CA PHE A 50 24.498 -6.519 6.839 1.00 0.00 C ATOM 729 C PHE A 50 23.127 -5.863 6.702 1.00 0.00 C ATOM 730 O PHE A 50 22.411 -6.092 5.725 1.00 0.00 O ATOM 731 CB PHE A 50 25.603 -5.504 6.526 1.00 0.00 C ATOM 732 CG PHE A 50 25.304 -4.628 5.343 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.510 -5.086 4.053 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.815 -3.344 5.524 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.236 -4.281 2.964 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.537 -2.535 4.440 1.00 0.00 C ATOM 737 CZ PHE A 50 24.748 -3.003 3.158 1.00 0.00 C ATOM 0 H PHE A 50 25.245 -7.548 5.171 1.00 0.00 H new ATOM 0 HA PHE A 50 24.614 -6.861 7.867 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.764 -4.874 7.401 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.535 -6.040 6.343 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.890 -6.085 3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.649 -2.972 6.524 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.403 -4.650 1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.155 -1.537 4.595 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.532 -2.371 2.309 1.00 0.00 H new ATOM 747 N THR A 51 22.767 -5.045 7.687 1.00 0.00 N ATOM 748 CA THR A 51 21.483 -4.356 7.681 1.00 0.00 C ATOM 749 C THR A 51 21.525 -3.111 8.563 1.00 0.00 C ATOM 750 O THR A 51 21.378 -3.195 9.782 1.00 0.00 O ATOM 751 CB THR A 51 20.348 -5.285 8.160 1.00 0.00 C ATOM 752 OG1 THR A 51 20.280 -6.442 7.320 1.00 0.00 O ATOM 753 CG2 THR A 51 19.009 -4.563 8.143 1.00 0.00 C ATOM 0 H THR A 51 23.349 -4.844 8.500 1.00 0.00 H new ATOM 0 HA THR A 51 21.283 -4.057 6.652 1.00 0.00 H new ATOM 0 HB THR A 51 20.565 -5.588 9.185 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.848 -6.308 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.226 -5.240 8.485 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.054 -3.697 8.804 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.786 -4.234 7.128 1.00 0.00 H new ATOM 761 N LEU A 52 21.730 -1.958 7.933 1.00 0.00 N ATOM 762 CA LEU A 52 21.794 -0.691 8.651 1.00 0.00 C ATOM 763 C LEU A 52 20.394 -0.118 8.861 1.00 0.00 C ATOM 764 O LEU A 52 19.460 -0.459 8.138 1.00 0.00 O ATOM 765 CB LEU A 52 22.673 0.303 7.877 1.00 0.00 C ATOM 766 CG LEU A 52 22.290 1.780 8.020 1.00 0.00 C ATOM 767 CD1 LEU A 52 23.101 2.438 9.124 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.488 2.510 6.701 1.00 0.00 C ATOM 0 H LEU A 52 21.855 -1.876 6.924 1.00 0.00 H new ATOM 0 HA LEU A 52 22.237 -0.866 9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.705 0.181 8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.643 0.040 6.820 1.00 0.00 H new ATOM 0 HG LEU A 52 21.236 1.838 8.290 1.00 0.00 H new ATOM 0 HD11 LEU A 52 22.815 3.486 9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.908 1.930 10.069 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.162 2.370 8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.211 3.558 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.534 2.443 6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.861 2.054 5.935 1.00 0.00 H new ATOM 780 N ALA A 53 20.257 0.753 9.856 1.00 0.00 N ATOM 781 CA ALA A 53 18.972 1.374 10.157 1.00 0.00 C ATOM 782 C ALA A 53 19.105 2.889 10.244 1.00 0.00 C ATOM 783 O ALA A 53 20.062 3.468 9.731 1.00 0.00 O ATOM 784 CB ALA A 53 18.405 0.812 11.451 1.00 0.00 C ATOM 0 H ALA A 53 21.020 1.045 10.467 1.00 0.00 H new ATOM 0 HA ALA A 53 18.283 1.143 9.345 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.446 1.284 11.663 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.265 -0.264 11.350 1.00 0.00 H new ATOM 0 HB3 ALA A 53 19.097 1.012 12.269 1.00 0.00 H new ATOM 790 N SER A 54 18.136 3.527 10.896 1.00 0.00 N ATOM 791 CA SER A 54 18.140 4.976 11.051 1.00 0.00 C ATOM 792 C SER A 54 19.449 5.461 11.670 1.00 0.00 C ATOM 793 O SER A 54 19.827 6.622 11.512 1.00 0.00 O ATOM 794 CB SER A 54 16.959 5.420 11.917 1.00 0.00 C ATOM 795 OG SER A 54 15.985 6.100 11.145 1.00 0.00 O ATOM 0 H SER A 54 17.337 3.060 11.326 1.00 0.00 H new ATOM 0 HA SER A 54 18.045 5.419 10.060 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.507 4.550 12.394 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.315 6.072 12.715 1.00 0.00 H new ATOM 0 HG SER A 54 15.241 6.371 11.722 1.00 0.00 H new ATOM 801 N GLY A 55 20.135 4.565 12.372 1.00 0.00 N ATOM 802 CA GLY A 55 21.394 4.922 13.002 1.00 0.00 C ATOM 803 C GLY A 55 22.035 3.755 13.726 1.00 0.00 C ATOM 804 O GLY A 55 22.587 3.919 14.814 1.00 0.00 O ATOM 0 H GLY A 55 19.842 3.599 12.516 1.00 0.00 H new ATOM 0 HA2 GLY A 55 22.082 5.297 12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 55 21.225 5.735 13.709 1.00 0.00 H new ATOM 808 N LYS A 56 21.961 2.575 13.121 1.00 0.00 N ATOM 809 CA LYS A 56 22.538 1.374 13.713 1.00 0.00 C ATOM 810 C LYS A 56 22.608 0.238 12.697 1.00 0.00 C ATOM 811 O LYS A 56 21.587 -0.201 12.170 1.00 0.00 O ATOM 812 CB LYS A 56 21.719 0.935 14.928 1.00 0.00 C ATOM 813 CG LYS A 56 22.557 0.308 16.030 1.00 0.00 C ATOM 814 CD LYS A 56 21.821 0.314 17.360 1.00 0.00 C ATOM 815 CE LYS A 56 22.641 -0.352 18.454 1.00 0.00 C ATOM 816 NZ LYS A 56 23.536 0.617 19.145 1.00 0.00 N ATOM 0 H LYS A 56 21.507 2.424 12.220 1.00 0.00 H new ATOM 0 HA LYS A 56 23.553 1.612 14.031 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.191 1.799 15.331 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.962 0.220 14.607 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.811 -0.717 15.758 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.496 0.853 16.130 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.595 1.341 17.647 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.868 -0.204 17.252 1.00 0.00 H new ATOM 0 HE2 LYS A 56 21.971 -0.810 19.182 1.00 0.00 H new ATOM 0 HE3 LYS A 56 23.239 -1.154 18.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.976 0.158 19.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 24.278 0.934 18.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.981 1.437 19.462 1.00 0.00 H new ATOM 830 N CYS A 57 23.822 -0.235 12.434 1.00 0.00 N ATOM 831 CA CYS A 57 24.034 -1.323 11.489 1.00 0.00 C ATOM 832 C CYS A 57 23.835 -2.673 12.171 1.00 0.00 C ATOM 833 O CYS A 57 23.892 -2.768 13.396 1.00 0.00 O ATOM 834 CB CYS A 57 25.442 -1.239 10.899 1.00 0.00 C ATOM 835 SG CYS A 57 26.136 0.445 10.882 1.00 0.00 S ATOM 0 H CYS A 57 24.676 0.120 12.864 1.00 0.00 H new ATOM 0 HA CYS A 57 23.304 -1.229 10.685 1.00 0.00 H new ATOM 0 HB2 CYS A 57 26.104 -1.889 11.471 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.422 -1.623 9.879 1.00 0.00 H new ATOM 840 N SER A 58 23.600 -3.714 11.377 1.00 0.00 N ATOM 841 CA SER A 58 23.394 -5.055 11.918 1.00 0.00 C ATOM 842 C SER A 58 23.715 -6.125 10.879 1.00 0.00 C ATOM 843 O SER A 58 22.990 -6.289 9.900 1.00 0.00 O ATOM 844 CB SER A 58 21.952 -5.221 12.397 1.00 0.00 C ATOM 845 OG SER A 58 21.471 -4.034 13.004 1.00 0.00 O ATOM 0 H SER A 58 23.547 -3.656 10.360 1.00 0.00 H new ATOM 0 HA SER A 58 24.072 -5.179 12.763 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.314 -5.485 11.553 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.896 -6.045 13.109 1.00 0.00 H new ATOM 0 HG SER A 58 20.546 -4.169 13.299 1.00 0.00 H new ATOM 851 N LEU A 59 24.802 -6.857 11.104 1.00 0.00 N ATOM 852 CA LEU A 59 25.212 -7.916 10.189 1.00 0.00 C ATOM 853 C LEU A 59 24.697 -9.270 10.667 1.00 0.00 C ATOM 854 O LEU A 59 24.798 -9.602 11.847 1.00 0.00 O ATOM 855 CB LEU A 59 26.737 -7.953 10.053 1.00 0.00 C ATOM 856 CG LEU A 59 27.516 -7.192 11.129 1.00 0.00 C ATOM 857 CD1 LEU A 59 28.912 -7.776 11.284 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.592 -5.712 10.793 1.00 0.00 C ATOM 0 H LEU A 59 25.414 -6.736 11.911 1.00 0.00 H new ATOM 0 HA LEU A 59 24.779 -7.703 9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.060 -8.994 10.064 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.007 -7.546 9.078 1.00 0.00 H new ATOM 0 HG LEU A 59 26.987 -7.299 12.076 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.454 -7.225 12.052 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.838 -8.824 11.574 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.446 -7.698 10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.150 -5.190 11.571 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.096 -5.582 9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.584 -5.301 10.731 1.00 0.00 H new ATOM 870 N PHE A 60 24.137 -10.044 9.742 1.00 0.00 N ATOM 871 CA PHE A 60 23.598 -11.360 10.069 1.00 0.00 C ATOM 872 C PHE A 60 24.272 -12.449 9.242 1.00 0.00 C ATOM 873 O PHE A 60 24.442 -12.309 8.032 1.00 0.00 O ATOM 874 CB PHE A 60 22.086 -11.384 9.835 1.00 0.00 C ATOM 875 CG PHE A 60 21.364 -10.228 10.468 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.191 -9.040 9.777 1.00 0.00 C ATOM 877 CD2 PHE A 60 20.863 -10.329 11.755 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.531 -7.975 10.357 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.204 -9.265 12.342 1.00 0.00 C ATOM 880 CZ PHE A 60 20.039 -8.087 11.642 1.00 0.00 C ATOM 0 H PHE A 60 24.045 -9.783 8.760 1.00 0.00 H new ATOM 0 HA PHE A 60 23.800 -11.557 11.122 1.00 0.00 H new ATOM 0 HB2 PHE A 60 21.892 -11.380 8.762 1.00 0.00 H new ATOM 0 HB3 PHE A 60 21.680 -12.316 10.229 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.577 -8.946 8.773 1.00 0.00 H new ATOM 0 HD2 PHE A 60 20.989 -11.249 12.306 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.400 -7.055 9.806 1.00 0.00 H new ATOM 0 HE2 PHE A 60 19.819 -9.355 13.347 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.526 -7.254 12.099 1.00 0.00 H new ATOM 890 N ALA A 61 24.650 -13.537 9.908 1.00 0.00 N ATOM 891 CA ALA A 61 25.303 -14.655 9.239 1.00 0.00 C ATOM 892 C ALA A 61 24.277 -15.675 8.754 1.00 0.00 C ATOM 893 O ALA A 61 23.108 -15.346 8.555 1.00 0.00 O ATOM 894 CB ALA A 61 26.308 -15.312 10.173 1.00 0.00 C ATOM 0 H ALA A 61 24.515 -13.667 10.911 1.00 0.00 H new ATOM 0 HA ALA A 61 25.833 -14.271 8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 61 26.789 -16.146 9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.063 -14.582 10.467 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.793 -15.679 11.061 1.00 0.00 H new ATOM 900 N ASP A 62 24.721 -16.915 8.566 1.00 0.00 N ATOM 901 CA ASP A 62 23.840 -17.983 8.107 1.00 0.00 C ATOM 902 C ASP A 62 22.728 -18.243 9.118 1.00 0.00 C ATOM 903 O ASP A 62 22.911 -18.992 10.077 1.00 0.00 O ATOM 904 CB ASP A 62 24.639 -19.264 7.867 1.00 0.00 C ATOM 905 CG ASP A 62 24.528 -19.758 6.438 1.00 0.00 C ATOM 906 OD1 ASP A 62 23.401 -20.090 6.011 1.00 0.00 O ATOM 907 OD2 ASP A 62 25.566 -19.814 5.746 1.00 0.00 O ATOM 0 H ASP A 62 25.686 -17.204 8.725 1.00 0.00 H new ATOM 0 HA ASP A 62 23.385 -17.667 7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.687 -19.085 8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 62 24.286 -20.041 8.545 1.00 0.00 H new ATOM 912 N ASP A 63 21.576 -17.618 8.897 1.00 0.00 N ATOM 913 CA ASP A 63 20.433 -17.780 9.788 1.00 0.00 C ATOM 914 C ASP A 63 19.123 -17.581 9.034 1.00 0.00 C ATOM 915 O ASP A 63 19.109 -17.488 7.807 1.00 0.00 O ATOM 916 CB ASP A 63 20.522 -16.789 10.950 1.00 0.00 C ATOM 917 CG ASP A 63 20.222 -17.437 12.287 1.00 0.00 C ATOM 918 OD1 ASP A 63 21.159 -17.983 12.907 1.00 0.00 O ATOM 919 OD2 ASP A 63 19.049 -17.398 12.716 1.00 0.00 O ATOM 0 H ASP A 63 21.409 -16.994 8.108 1.00 0.00 H new ATOM 0 HA ASP A 63 20.453 -18.796 10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.521 -16.353 10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.822 -15.971 10.781 1.00 0.00 H new ATOM 924 N ALA A 64 18.022 -17.516 9.778 1.00 0.00 N ATOM 925 CA ALA A 64 16.704 -17.328 9.179 1.00 0.00 C ATOM 926 C ALA A 64 15.679 -16.911 10.228 1.00 0.00 C ATOM 927 O ALA A 64 14.482 -16.845 9.947 1.00 0.00 O ATOM 928 CB ALA A 64 16.257 -18.602 8.478 1.00 0.00 C ATOM 0 H ALA A 64 18.016 -17.591 10.795 1.00 0.00 H new ATOM 0 HA ALA A 64 16.777 -16.528 8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 64 15.273 -18.448 8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 64 16.971 -18.856 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.207 -19.416 9.201 1.00 0.00 H new ATOM 934 N ALA A 65 16.156 -16.632 11.437 1.00 0.00 N ATOM 935 CA ALA A 65 15.281 -16.221 12.528 1.00 0.00 C ATOM 936 C ALA A 65 14.987 -14.727 12.463 1.00 0.00 C ATOM 937 O ALA A 65 14.083 -14.233 13.137 1.00 0.00 O ATOM 938 CB ALA A 65 15.905 -16.581 13.868 1.00 0.00 C ATOM 0 H ALA A 65 17.144 -16.683 11.685 1.00 0.00 H new ATOM 0 HA ALA A 65 14.336 -16.755 12.424 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.241 -16.269 14.674 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.057 -17.659 13.921 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.864 -16.074 13.971 1.00 0.00 H new ATOM 944 N LEU A 66 15.756 -14.012 11.649 1.00 0.00 N ATOM 945 CA LEU A 66 15.579 -12.573 11.496 1.00 0.00 C ATOM 946 C LEU A 66 14.563 -12.263 10.401 1.00 0.00 C ATOM 947 O LEU A 66 14.527 -12.930 9.366 1.00 0.00 O ATOM 948 CB LEU A 66 16.916 -11.905 11.170 1.00 0.00 C ATOM 949 CG LEU A 66 17.712 -12.565 10.043 1.00 0.00 C ATOM 950 CD1 LEU A 66 18.039 -11.552 8.957 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.984 -13.196 10.588 1.00 0.00 C ATOM 0 H LEU A 66 16.509 -14.406 11.085 1.00 0.00 H new ATOM 0 HA LEU A 66 15.203 -12.177 12.439 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.729 -10.865 10.902 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.530 -11.896 12.071 1.00 0.00 H new ATOM 0 HG LEU A 66 17.100 -13.352 9.604 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.606 -12.039 8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 66 17.114 -11.147 8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.632 -10.742 9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.538 -13.661 9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.601 -12.427 11.054 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.726 -13.953 11.329 1.00 0.00 H new ATOM 963 N ARG A 67 13.741 -11.245 10.635 1.00 0.00 N ATOM 964 CA ARG A 67 12.724 -10.845 9.669 1.00 0.00 C ATOM 965 C ARG A 67 12.578 -9.326 9.627 1.00 0.00 C ATOM 966 O ARG A 67 13.030 -8.625 10.533 1.00 0.00 O ATOM 967 CB ARG A 67 11.380 -11.488 10.013 1.00 0.00 C ATOM 968 CG ARG A 67 11.059 -12.716 9.175 1.00 0.00 C ATOM 969 CD ARG A 67 11.048 -13.979 10.020 1.00 0.00 C ATOM 970 NE ARG A 67 11.467 -15.151 9.257 1.00 0.00 N ATOM 971 CZ ARG A 67 10.739 -16.259 9.147 1.00 0.00 C ATOM 972 NH1 ARG A 67 9.560 -16.345 9.749 1.00 0.00 N ATOM 973 NH2 ARG A 67 11.189 -17.281 8.434 1.00 0.00 N ATOM 0 H ARG A 67 13.759 -10.682 11.485 1.00 0.00 H new ATOM 0 HA ARG A 67 13.042 -11.189 8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.380 -11.767 11.067 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.589 -10.750 9.879 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.088 -12.588 8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.796 -12.817 8.378 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.710 -13.848 10.876 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.045 -14.143 10.414 1.00 0.00 H new ATOM 0 HE ARG A 67 12.369 -15.118 8.781 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.209 -15.560 10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.004 -17.196 9.663 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.095 -17.219 7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.630 -18.130 8.350 1.00 0.00 H new ATOM 987 N PRO A 68 11.936 -8.797 8.572 1.00 0.00 N ATOM 988 CA PRO A 68 11.725 -7.355 8.413 1.00 0.00 C ATOM 989 C PRO A 68 10.697 -6.806 9.399 1.00 0.00 C ATOM 990 O PRO A 68 10.277 -7.503 10.322 1.00 0.00 O ATOM 991 CB PRO A 68 11.207 -7.230 6.980 1.00 0.00 C ATOM 992 CG PRO A 68 10.554 -8.539 6.704 1.00 0.00 C ATOM 993 CD PRO A 68 11.361 -9.566 7.452 1.00 0.00 C ATOM 0 HA PRO A 68 12.635 -6.787 8.605 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.500 -6.406 6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.020 -7.036 6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.517 -8.537 7.039 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.543 -8.753 5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.738 -10.387 7.806 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.137 -10.003 6.824 1.00 0.00 H new ATOM 1001 N THR A 69 10.295 -5.556 9.194 1.00 0.00 N ATOM 1002 CA THR A 69 9.315 -4.915 10.063 1.00 0.00 C ATOM 1003 C THR A 69 8.739 -3.662 9.414 1.00 0.00 C ATOM 1004 O THR A 69 7.525 -3.530 9.262 1.00 0.00 O ATOM 1005 CB THR A 69 9.927 -4.541 11.428 1.00 0.00 C ATOM 1006 OG1 THR A 69 9.129 -3.535 12.064 1.00 0.00 O ATOM 1007 CG2 THR A 69 11.353 -4.034 11.265 1.00 0.00 C ATOM 0 H THR A 69 10.633 -4.967 8.433 1.00 0.00 H new ATOM 0 HA THR A 69 8.515 -5.638 10.221 1.00 0.00 H new ATOM 0 HB THR A 69 9.946 -5.437 12.048 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.524 -3.304 12.931 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.762 -3.777 12.242 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.966 -4.811 10.808 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.354 -3.150 10.627 1.00 0.00 H new ATOM 1015 N LYS A 70 9.621 -2.745 9.035 1.00 0.00 N ATOM 1016 CA LYS A 70 9.209 -1.498 8.400 1.00 0.00 C ATOM 1017 C LYS A 70 10.405 -0.787 7.773 1.00 0.00 C ATOM 1018 O LYS A 70 11.554 -1.082 8.098 1.00 0.00 O ATOM 1019 CB LYS A 70 8.532 -0.579 9.420 1.00 0.00 C ATOM 1020 CG LYS A 70 9.450 -0.141 10.549 1.00 0.00 C ATOM 1021 CD LYS A 70 8.662 0.408 11.727 1.00 0.00 C ATOM 1022 CE LYS A 70 9.344 1.621 12.338 1.00 0.00 C ATOM 1023 NZ LYS A 70 8.366 2.682 12.706 1.00 0.00 N ATOM 0 H LYS A 70 10.629 -2.842 9.157 1.00 0.00 H new ATOM 0 HA LYS A 70 8.497 -1.739 7.611 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.155 0.305 8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.669 -1.093 9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.054 -0.987 10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.139 0.621 10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.659 0.680 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.551 -0.368 12.484 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.900 1.316 13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.068 2.025 11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.871 3.492 13.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.853 2.991 11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.690 2.305 13.400 1.00 0.00 H new ATOM 1037 N SER A 71 10.125 0.149 6.872 1.00 0.00 N ATOM 1038 CA SER A 71 11.178 0.902 6.200 1.00 0.00 C ATOM 1039 C SER A 71 11.065 2.391 6.509 1.00 0.00 C ATOM 1040 O SER A 71 10.477 3.153 5.742 1.00 0.00 O ATOM 1041 CB SER A 71 11.107 0.675 4.687 1.00 0.00 C ATOM 1042 OG SER A 71 9.927 -0.023 4.330 1.00 0.00 O ATOM 0 H SER A 71 9.178 0.404 6.590 1.00 0.00 H new ATOM 0 HA SER A 71 12.139 0.546 6.570 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.136 1.634 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.980 0.111 4.360 1.00 0.00 H new ATOM 0 HG SER A 71 9.905 -0.153 3.359 1.00 0.00 H new ATOM 1048 N ASP A 72 11.636 2.799 7.638 1.00 0.00 N ATOM 1049 CA ASP A 72 11.603 4.197 8.051 1.00 0.00 C ATOM 1050 C ASP A 72 12.950 4.867 7.802 1.00 0.00 C ATOM 1051 O ASP A 72 13.192 5.986 8.255 1.00 0.00 O ATOM 1052 CB ASP A 72 11.232 4.306 9.531 1.00 0.00 C ATOM 1053 CG ASP A 72 9.981 5.131 9.755 1.00 0.00 C ATOM 1054 OD1 ASP A 72 8.976 4.890 9.054 1.00 0.00 O ATOM 1055 OD2 ASP A 72 10.006 6.020 10.633 1.00 0.00 O ATOM 0 H ASP A 72 12.127 2.181 8.283 1.00 0.00 H new ATOM 0 HA ASP A 72 10.846 4.708 7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.083 3.307 9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.062 4.753 10.078 1.00 0.00 H new ATOM 1060 N GLY A 73 13.823 4.172 7.080 1.00 0.00 N ATOM 1061 CA GLY A 73 15.137 4.710 6.782 1.00 0.00 C ATOM 1062 C GLY A 73 16.237 3.684 6.960 1.00 0.00 C ATOM 1063 O GLY A 73 17.418 4.029 7.008 1.00 0.00 O ATOM 0 H GLY A 73 13.643 3.244 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.151 5.079 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.332 5.564 7.431 1.00 0.00 H new ATOM 1067 N ALA A 74 15.849 2.415 7.058 1.00 0.00 N ATOM 1068 CA ALA A 74 16.808 1.331 7.232 1.00 0.00 C ATOM 1069 C ALA A 74 17.165 0.692 5.895 1.00 0.00 C ATOM 1070 O ALA A 74 16.312 0.543 5.019 1.00 0.00 O ATOM 1071 CB ALA A 74 16.254 0.283 8.182 1.00 0.00 C ATOM 0 H ALA A 74 14.875 2.113 7.020 1.00 0.00 H new ATOM 0 HA ALA A 74 17.717 1.753 7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.981 -0.520 8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.055 0.740 9.151 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.328 -0.124 7.775 1.00 0.00 H new ATOM 1077 N VAL A 75 18.429 0.313 5.747 1.00 0.00 N ATOM 1078 CA VAL A 75 18.901 -0.313 4.519 1.00 0.00 C ATOM 1079 C VAL A 75 19.544 -1.667 4.806 1.00 0.00 C ATOM 1080 O VAL A 75 19.885 -1.974 5.948 1.00 0.00 O ATOM 1081 CB VAL A 75 19.919 0.578 3.783 1.00 0.00 C ATOM 1082 CG1 VAL A 75 19.683 0.521 2.283 1.00 0.00 C ATOM 1083 CG2 VAL A 75 19.848 2.013 4.286 1.00 0.00 C ATOM 0 H VAL A 75 19.146 0.429 6.463 1.00 0.00 H new ATOM 0 HA VAL A 75 18.028 -0.452 3.882 1.00 0.00 H new ATOM 0 HB VAL A 75 20.920 0.199 3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.410 1.156 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 75 19.794 -0.506 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 75 18.676 0.873 2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 75 20.576 2.623 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.847 2.410 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 75 20.070 2.036 5.353 1.00 0.00 H new ATOM 1093 N SER A 76 19.706 -2.472 3.761 1.00 0.00 N ATOM 1094 CA SER A 76 20.310 -3.793 3.898 1.00 0.00 C ATOM 1095 C SER A 76 20.939 -4.241 2.583 1.00 0.00 C ATOM 1096 O SER A 76 20.713 -3.632 1.537 1.00 0.00 O ATOM 1097 CB SER A 76 19.262 -4.813 4.347 1.00 0.00 C ATOM 1098 OG SER A 76 17.996 -4.202 4.527 1.00 0.00 O ATOM 0 H SER A 76 19.427 -2.233 2.809 1.00 0.00 H new ATOM 0 HA SER A 76 21.093 -3.730 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.183 -5.608 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.580 -5.278 5.280 1.00 0.00 H new ATOM 0 HG SER A 76 17.345 -4.876 4.813 1.00 0.00 H new ATOM 1104 N GLY A 77 21.729 -5.308 2.643 1.00 0.00 N ATOM 1105 CA GLY A 77 22.378 -5.818 1.450 1.00 0.00 C ATOM 1106 C GLY A 77 22.650 -7.308 1.529 1.00 0.00 C ATOM 1107 O GLY A 77 23.051 -7.817 2.575 1.00 0.00 O ATOM 0 H GLY A 77 21.931 -5.828 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.751 -5.612 0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.318 -5.288 1.297 1.00 0.00 H new ATOM 1111 N ASN A 78 22.429 -8.007 0.421 1.00 0.00 N ATOM 1112 CA ASN A 78 22.651 -9.448 0.367 1.00 0.00 C ATOM 1113 C ASN A 78 23.135 -9.874 -1.014 1.00 0.00 C ATOM 1114 O ASN A 78 22.907 -9.181 -2.005 1.00 0.00 O ATOM 1115 CB ASN A 78 21.366 -10.196 0.722 1.00 0.00 C ATOM 1116 CG ASN A 78 20.163 -9.676 -0.041 1.00 0.00 C ATOM 1117 OD1 ASN A 78 20.088 -9.799 -1.264 1.00 0.00 O ATOM 1118 ND2 ASN A 78 19.214 -9.090 0.679 1.00 0.00 N ATOM 0 H ASN A 78 22.096 -7.599 -0.453 1.00 0.00 H new ATOM 0 HA ASN A 78 23.423 -9.698 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.496 -11.257 0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.180 -10.106 1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 78 18.381 -8.720 0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 78 19.318 -9.010 1.691 1.00 0.00 H new ATOM 1125 N LYS A 79 23.806 -11.021 -1.071 1.00 0.00 N ATOM 1126 CA LYS A 79 24.323 -11.543 -2.331 1.00 0.00 C ATOM 1127 C LYS A 79 23.355 -12.553 -2.938 1.00 0.00 C ATOM 1128 O LYS A 79 23.285 -12.707 -4.157 1.00 0.00 O ATOM 1129 CB LYS A 79 25.690 -12.195 -2.114 1.00 0.00 C ATOM 1130 CG LYS A 79 26.832 -11.453 -2.791 1.00 0.00 C ATOM 1131 CD LYS A 79 28.007 -12.376 -3.071 1.00 0.00 C ATOM 1132 CE LYS A 79 28.907 -11.818 -4.161 1.00 0.00 C ATOM 1133 NZ LYS A 79 28.629 -12.439 -5.485 1.00 0.00 N ATOM 0 H LYS A 79 24.004 -11.606 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 79 24.432 -10.709 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 79 25.890 -12.254 -1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 79 25.659 -13.218 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 79 26.480 -11.016 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 79 27.158 -10.629 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 79 28.585 -12.518 -2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 79 27.637 -13.357 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 79 28.767 -10.739 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 79 29.950 -11.988 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 29.264 -12.031 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 28.787 -13.465 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 27.641 -12.256 -5.754 1.00 0.00 H new ATOM 1147 N ARG A 80 22.610 -13.240 -2.077 1.00 0.00 N ATOM 1148 CA ARG A 80 21.644 -14.237 -2.524 1.00 0.00 C ATOM 1149 C ARG A 80 20.290 -14.020 -1.854 1.00 0.00 C ATOM 1150 O ARG A 80 20.208 -13.865 -0.635 1.00 0.00 O ATOM 1151 CB ARG A 80 22.155 -15.646 -2.222 1.00 0.00 C ATOM 1152 CG ARG A 80 23.441 -15.997 -2.952 1.00 0.00 C ATOM 1153 CD ARG A 80 23.205 -17.055 -4.018 1.00 0.00 C ATOM 1154 NE ARG A 80 22.723 -18.309 -3.446 1.00 0.00 N ATOM 1155 CZ ARG A 80 23.470 -19.404 -3.333 1.00 0.00 C ATOM 1156 NH1 ARG A 80 24.729 -19.398 -3.750 1.00 0.00 N ATOM 1157 NH2 ARG A 80 22.958 -20.506 -2.802 1.00 0.00 N ATOM 0 H ARG A 80 22.657 -13.124 -1.065 1.00 0.00 H new ATOM 0 HA ARG A 80 21.519 -14.128 -3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 80 22.319 -15.742 -1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 80 21.385 -16.368 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 80 23.855 -15.100 -3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 80 24.180 -16.358 -2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.480 -16.684 -4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 80 24.133 -17.237 -4.560 1.00 0.00 H new ATOM 0 HE ARG A 80 21.759 -18.348 -3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 80 25.127 -18.552 -4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 80 25.299 -20.239 -3.662 1.00 0.00 H new ATOM 0 HH21 ARG A 80 21.990 -20.515 -2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 80 23.532 -21.345 -2.716 1.00 0.00 H new ATOM 1171 N CYS A 81 19.232 -14.010 -2.658 1.00 0.00 N ATOM 1172 CA CYS A 81 17.883 -13.811 -2.143 1.00 0.00 C ATOM 1173 C CYS A 81 17.159 -15.143 -1.985 1.00 0.00 C ATOM 1174 O CYS A 81 16.653 -15.463 -0.910 1.00 0.00 O ATOM 1175 CB CYS A 81 17.089 -12.893 -3.074 1.00 0.00 C ATOM 1176 SG CYS A 81 17.975 -11.375 -3.555 1.00 0.00 S ATOM 0 H CYS A 81 19.283 -14.137 -3.669 1.00 0.00 H new ATOM 0 HA CYS A 81 17.961 -13.342 -1.162 1.00 0.00 H new ATOM 0 HB2 CYS A 81 16.825 -13.447 -3.974 1.00 0.00 H new ATOM 0 HB3 CYS A 81 16.155 -12.616 -2.584 1.00 0.00 H new ATOM 1181 N ILE A 82 17.115 -15.912 -3.065 1.00 0.00 N ATOM 1182 CA ILE A 82 16.454 -17.211 -3.055 1.00 0.00 C ATOM 1183 C ILE A 82 17.355 -18.290 -3.648 1.00 0.00 C ATOM 1184 O ILE A 82 17.619 -18.300 -4.850 1.00 0.00 O ATOM 1185 CB ILE A 82 15.128 -17.179 -3.842 1.00 0.00 C ATOM 1186 CG1 ILE A 82 15.050 -15.926 -4.718 1.00 0.00 C ATOM 1187 CG2 ILE A 82 13.945 -17.239 -2.888 1.00 0.00 C ATOM 1188 CD1 ILE A 82 14.355 -16.156 -6.043 1.00 0.00 C ATOM 0 H ILE A 82 17.530 -15.658 -3.961 1.00 0.00 H new ATOM 0 HA ILE A 82 16.242 -17.447 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 82 15.092 -18.052 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 82 14.523 -15.143 -4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 82 16.060 -15.560 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.016 -17.216 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.992 -18.161 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 82 13.978 -16.384 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 82 14.337 -15.226 -6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 82 14.894 -16.916 -6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 82 13.334 -16.492 -5.865 1.00 0.00 H new ATOM 1200 N LEU A 83 17.821 -19.197 -2.796 1.00 0.00 N ATOM 1201 CA LEU A 83 18.691 -20.282 -3.234 1.00 0.00 C ATOM 1202 C LEU A 83 17.881 -21.398 -3.886 1.00 0.00 C ATOM 1203 O LEU A 83 16.827 -21.787 -3.384 1.00 0.00 O ATOM 1204 CB LEU A 83 19.487 -20.836 -2.051 1.00 0.00 C ATOM 1205 CG LEU A 83 18.647 -21.245 -0.840 1.00 0.00 C ATOM 1206 CD1 LEU A 83 19.030 -22.641 -0.373 1.00 0.00 C ATOM 1207 CD2 LEU A 83 18.810 -20.239 0.287 1.00 0.00 C ATOM 0 H LEU A 83 17.611 -19.202 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 83 19.385 -19.882 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 83 20.055 -21.702 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 83 20.210 -20.084 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 83 17.598 -21.259 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.422 -22.916 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 83 18.859 -23.354 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 83 20.084 -22.655 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 83 18.205 -20.547 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.858 -20.192 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 83 18.484 -19.256 -0.053 1.00 0.00 H new ATOM 1219 N LEU A 84 18.382 -21.909 -5.007 1.00 0.00 N ATOM 1220 CA LEU A 84 17.705 -22.981 -5.727 1.00 0.00 C ATOM 1221 C LEU A 84 18.709 -23.863 -6.463 1.00 0.00 C ATOM 1222 O LEU A 84 19.793 -23.411 -6.832 1.00 0.00 O ATOM 1223 CB LEU A 84 16.696 -22.398 -6.720 1.00 0.00 C ATOM 1224 CG LEU A 84 15.231 -22.709 -6.411 1.00 0.00 C ATOM 1225 CD1 LEU A 84 14.364 -21.483 -6.656 1.00 0.00 C ATOM 1226 CD2 LEU A 84 14.747 -23.884 -7.246 1.00 0.00 C ATOM 0 H LEU A 84 19.254 -21.598 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 84 17.176 -23.596 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 84 16.823 -21.316 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.930 -22.775 -7.716 1.00 0.00 H new ATOM 0 HG LEU A 84 15.150 -22.982 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.324 -21.722 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.696 -20.668 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.449 -21.180 -7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.703 -24.091 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 84 14.841 -23.641 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.350 -24.764 -7.020 1.00 0.00 H new ATOM 1238 N GLU A 85 18.340 -25.122 -6.673 1.00 0.00 N ATOM 1239 CA GLU A 85 19.206 -26.069 -7.365 1.00 0.00 C ATOM 1240 C GLU A 85 18.445 -26.796 -8.469 1.00 0.00 C ATOM 1241 O GLU A 85 18.892 -27.828 -8.969 1.00 0.00 O ATOM 1242 CB GLU A 85 19.783 -27.082 -6.375 1.00 0.00 C ATOM 1243 CG GLU A 85 21.247 -26.842 -6.041 1.00 0.00 C ATOM 1244 CD GLU A 85 22.007 -28.129 -5.792 1.00 0.00 C ATOM 1245 OE1 GLU A 85 21.717 -28.803 -4.781 1.00 0.00 O ATOM 1246 OE2 GLU A 85 22.892 -28.463 -6.607 1.00 0.00 O ATOM 0 H GLU A 85 17.446 -25.511 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 85 20.024 -25.510 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 85 19.199 -27.051 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 85 19.673 -28.085 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 85 21.718 -26.299 -6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 85 21.315 -26.208 -5.157 1.00 0.00 H new ATOM 1253 N ASP A 86 17.293 -26.249 -8.844 1.00 0.00 N ATOM 1254 CA ASP A 86 16.468 -26.844 -9.889 1.00 0.00 C ATOM 1255 C ASP A 86 16.648 -26.106 -11.212 1.00 0.00 C ATOM 1256 O ASP A 86 17.201 -24.987 -11.192 1.00 0.00 O ATOM 1257 CB ASP A 86 14.994 -26.824 -9.478 1.00 0.00 C ATOM 1258 CG ASP A 86 14.652 -27.931 -8.498 1.00 0.00 C ATOM 1259 OD1 ASP A 86 14.380 -29.062 -8.953 1.00 0.00 O ATOM 1260 OD2 ASP A 86 14.656 -27.665 -7.279 1.00 0.00 O ATOM 1261 OXT ASP A 86 16.235 -26.654 -12.256 1.00 0.00 O ATOM 0 H ASP A 86 16.910 -25.395 -8.440 1.00 0.00 H new ATOM 0 HA ASP A 86 16.787 -27.877 -10.024 1.00 0.00 H new ATOM 0 HB2 ASP A 86 14.758 -25.859 -9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.370 -26.923 -10.366 1.00 0.00 H new TER 1266 ASP A 86