USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 547 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 Set 1.1: A 18 TYR OH : rot 180:sc= -0.388 USER MOD Set 1.2: A 75 GLN : amide:sc= -1.52 K(o=-1.9,f=-0.76) USER MOD Single : A 1 SER N :NH3+ -145:sc= 0.0043 (180deg=-0.104) USER MOD Single : A 1 SER OG : rot 55:sc= 0.409 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.418 K(o=-0.42,f=-9.8!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 25:sc= 0.591 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.14! X(o=-1.1!,f=-1.6) USER MOD Single : A 26 THR OG1 : rot 130:sc= -0.584 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.22 X(o=-1.2,f=-0.95) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.532 K(o=-0.53,f=-1.9) USER MOD Single : A 51 SER OG : rot 74:sc= 0.369 USER MOD Single : A 52 THR OG1 : rot 58:sc= 0.549 USER MOD Single : A 58 GLN : amide:sc= -0.927 K(o=-0.93,f=-5!) USER MOD Single : A 70 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.66) USER MOD Single : A 76 THR OG1 : rot -65:sc= 0.364 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.257 25.019 -1.433 1.00 0.00 N ATOM 2 CA SER A 1 -6.713 25.267 -1.596 1.00 0.00 C ATOM 3 C SER A 1 -7.533 24.289 -0.754 1.00 0.00 C ATOM 4 O SER A 1 -8.123 23.347 -1.284 1.00 0.00 O ATOM 5 CB SER A 1 -7.106 25.143 -3.071 1.00 0.00 C ATOM 6 OG SER A 1 -6.745 23.876 -3.592 1.00 0.00 O ATOM 0 H1 SER A 1 -4.744 25.923 -1.471 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.083 24.561 -0.516 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.923 24.399 -2.198 1.00 0.00 H new ATOM 0 HA SER A 1 -6.926 26.279 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.181 25.290 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.618 25.929 -3.648 1.00 0.00 H new ATOM 0 HG SER A 1 -7.131 23.170 -3.033 1.00 0.00 H new ATOM 11 N PRO A 2 -7.579 24.500 0.576 1.00 0.00 N ATOM 12 CA PRO A 2 -8.331 23.633 1.491 1.00 0.00 C ATOM 13 C PRO A 2 -9.810 23.549 1.126 1.00 0.00 C ATOM 14 O PRO A 2 -10.601 24.421 1.488 1.00 0.00 O ATOM 15 CB PRO A 2 -8.158 24.301 2.863 1.00 0.00 C ATOM 16 CG PRO A 2 -7.680 25.686 2.571 1.00 0.00 C ATOM 17 CD PRO A 2 -6.902 25.591 1.293 1.00 0.00 C ATOM 0 HA PRO A 2 -7.967 22.606 1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.099 24.318 3.414 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.439 23.758 3.477 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.518 26.375 2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.056 26.063 3.381 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.933 26.524 0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.852 25.364 1.475 1.00 0.00 H new ATOM 25 N ALA A 3 -10.177 22.492 0.406 1.00 0.00 N ATOM 26 CA ALA A 3 -11.560 22.292 -0.011 1.00 0.00 C ATOM 27 C ALA A 3 -12.250 21.241 0.852 1.00 0.00 C ATOM 28 O ALA A 3 -12.336 20.072 0.476 1.00 0.00 O ATOM 29 CB ALA A 3 -11.617 21.892 -1.478 1.00 0.00 C ATOM 0 H ALA A 3 -9.535 21.761 0.100 1.00 0.00 H new ATOM 0 HA ALA A 3 -12.091 23.235 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.655 21.746 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.172 22.679 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.064 20.964 -1.624 1.00 0.00 H new ATOM 35 N ALA A 4 -12.738 21.666 2.012 1.00 0.00 N ATOM 36 CA ALA A 4 -13.426 20.766 2.930 1.00 0.00 C ATOM 37 C ALA A 4 -14.930 20.787 2.687 1.00 0.00 C ATOM 38 O ALA A 4 -15.615 19.781 2.873 1.00 0.00 O ATOM 39 CB ALA A 4 -13.118 21.141 4.371 1.00 0.00 C ATOM 0 H ALA A 4 -12.670 22.630 2.339 1.00 0.00 H new ATOM 0 HA ALA A 4 -13.065 19.754 2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.639 20.460 5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.044 21.071 4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -13.450 22.162 4.560 1.00 0.00 H new ATOM 45 N MET A 5 -15.438 21.943 2.271 1.00 0.00 N ATOM 46 CA MET A 5 -16.862 22.101 1.998 1.00 0.00 C ATOM 47 C MET A 5 -17.102 22.160 0.495 1.00 0.00 C ATOM 48 O MET A 5 -18.133 21.711 -0.004 1.00 0.00 O ATOM 49 CB MET A 5 -17.392 23.369 2.675 1.00 0.00 C ATOM 50 CG MET A 5 -17.358 24.612 1.796 1.00 0.00 C ATOM 51 SD MET A 5 -17.940 26.086 2.658 1.00 0.00 S ATOM 52 CE MET A 5 -17.877 27.298 1.341 1.00 0.00 C ATOM 0 H MET A 5 -14.884 22.785 2.115 1.00 0.00 H new ATOM 0 HA MET A 5 -17.398 21.242 2.403 1.00 0.00 H new ATOM 0 HB2 MET A 5 -18.419 23.193 2.995 1.00 0.00 H new ATOM 0 HB3 MET A 5 -16.806 23.558 3.574 1.00 0.00 H new ATOM 0 HG2 MET A 5 -16.339 24.778 1.447 1.00 0.00 H new ATOM 0 HG3 MET A 5 -17.974 24.445 0.913 1.00 0.00 H new ATOM 0 HE1 MET A 5 -18.209 28.265 1.720 1.00 0.00 H new ATOM 0 HE2 MET A 5 -16.854 27.384 0.974 1.00 0.00 H new ATOM 0 HE3 MET A 5 -18.530 26.984 0.526 1.00 0.00 H new ATOM 62 N GLU A 6 -16.131 22.722 -0.215 1.00 0.00 N ATOM 63 CA GLU A 6 -16.209 22.850 -1.665 1.00 0.00 C ATOM 64 C GLU A 6 -15.935 21.509 -2.340 1.00 0.00 C ATOM 65 O GLU A 6 -15.962 20.464 -1.689 1.00 0.00 O ATOM 66 CB GLU A 6 -15.204 23.894 -2.157 1.00 0.00 C ATOM 67 CG GLU A 6 -15.173 25.156 -1.309 1.00 0.00 C ATOM 68 CD GLU A 6 -14.318 26.248 -1.923 1.00 0.00 C ATOM 69 OE1 GLU A 6 -13.104 26.288 -1.630 1.00 0.00 O ATOM 70 OE2 GLU A 6 -14.862 27.063 -2.697 1.00 0.00 O ATOM 0 H GLU A 6 -15.275 23.098 0.193 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.217 23.172 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.209 23.450 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.446 24.163 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.190 25.526 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.791 24.914 -0.317 1.00 0.00 H new ATOM 77 N ARG A 7 -15.676 21.542 -3.645 1.00 0.00 N ATOM 78 CA ARG A 7 -15.392 20.326 -4.396 1.00 0.00 C ATOM 79 C ARG A 7 -14.232 19.563 -3.770 1.00 0.00 C ATOM 80 O ARG A 7 -13.117 20.077 -3.667 1.00 0.00 O ATOM 81 CB ARG A 7 -15.075 20.653 -5.863 1.00 0.00 C ATOM 82 CG ARG A 7 -14.068 21.778 -6.035 1.00 0.00 C ATOM 83 CD ARG A 7 -14.757 23.107 -6.308 1.00 0.00 C ATOM 84 NE ARG A 7 -15.398 23.129 -7.621 1.00 0.00 N ATOM 85 CZ ARG A 7 -15.686 24.244 -8.285 1.00 0.00 C ATOM 86 NH1 ARG A 7 -15.391 25.426 -7.762 1.00 0.00 N ATOM 87 NH2 ARG A 7 -16.268 24.177 -9.474 1.00 0.00 N ATOM 0 H ARG A 7 -15.657 22.397 -4.202 1.00 0.00 H new ATOM 0 HA ARG A 7 -16.282 19.697 -4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.692 19.757 -6.351 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.999 20.924 -6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -13.457 21.862 -5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -13.393 21.541 -6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -15.504 23.294 -5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -14.027 23.914 -6.247 1.00 0.00 H new ATOM 0 HE ARG A 7 -15.638 22.237 -8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -14.942 25.481 -6.848 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -15.613 26.280 -8.274 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -16.495 23.269 -9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -16.489 25.033 -9.983 1.00 0.00 H new ATOM 101 N GLN A 8 -14.506 18.334 -3.351 1.00 0.00 N ATOM 102 CA GLN A 8 -13.495 17.487 -2.732 1.00 0.00 C ATOM 103 C GLN A 8 -12.302 17.289 -3.665 1.00 0.00 C ATOM 104 O GLN A 8 -12.459 17.229 -4.884 1.00 0.00 O ATOM 105 CB GLN A 8 -14.103 16.133 -2.344 1.00 0.00 C ATOM 106 CG GLN A 8 -14.145 15.107 -3.472 1.00 0.00 C ATOM 107 CD GLN A 8 -15.279 15.342 -4.452 1.00 0.00 C ATOM 108 OE1 GLN A 8 -15.693 16.477 -4.688 1.00 0.00 O ATOM 109 NE2 GLN A 8 -15.791 14.262 -5.031 1.00 0.00 N ATOM 0 H GLN A 8 -15.426 17.900 -3.429 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.139 17.984 -1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.531 15.718 -1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.118 16.296 -1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.198 15.130 -4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.244 14.110 -3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.419 13.339 -4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.556 14.356 -5.699 1.00 0.00 H new ATOM 118 N VAL A 9 -11.112 17.193 -3.080 1.00 0.00 N ATOM 119 CA VAL A 9 -9.892 17.004 -3.857 1.00 0.00 C ATOM 120 C VAL A 9 -9.571 15.515 -4.012 1.00 0.00 C ATOM 121 O VAL A 9 -9.969 14.700 -3.180 1.00 0.00 O ATOM 122 CB VAL A 9 -8.697 17.747 -3.205 1.00 0.00 C ATOM 123 CG1 VAL A 9 -7.561 16.797 -2.844 1.00 0.00 C ATOM 124 CG2 VAL A 9 -8.200 18.857 -4.120 1.00 0.00 C ATOM 0 H VAL A 9 -10.967 17.243 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.059 17.427 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.054 18.189 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.746 17.361 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.922 16.049 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.201 16.301 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.361 19.369 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.877 18.429 -5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.006 19.569 -4.299 1.00 0.00 H new ATOM 134 N PRO A 10 -8.851 15.147 -5.090 1.00 0.00 N ATOM 135 CA PRO A 10 -8.470 13.757 -5.354 1.00 0.00 C ATOM 136 C PRO A 10 -7.962 13.043 -4.105 1.00 0.00 C ATOM 137 O PRO A 10 -7.044 13.521 -3.437 1.00 0.00 O ATOM 138 CB PRO A 10 -7.351 13.894 -6.378 1.00 0.00 C ATOM 139 CG PRO A 10 -7.659 15.153 -7.116 1.00 0.00 C ATOM 140 CD PRO A 10 -8.351 16.063 -6.134 1.00 0.00 C ATOM 0 HA PRO A 10 -9.315 13.160 -5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.376 13.948 -5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.325 13.037 -7.052 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.747 15.613 -7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.297 14.953 -7.976 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.664 16.801 -5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.165 16.614 -6.605 1.00 0.00 H new ATOM 148 N TYR A 11 -8.570 11.901 -3.795 1.00 0.00 N ATOM 149 CA TYR A 11 -8.185 11.117 -2.628 1.00 0.00 C ATOM 150 C TYR A 11 -6.694 10.798 -2.649 1.00 0.00 C ATOM 151 O TYR A 11 -6.103 10.619 -3.714 1.00 0.00 O ATOM 152 CB TYR A 11 -8.995 9.822 -2.578 1.00 0.00 C ATOM 153 CG TYR A 11 -9.083 9.219 -1.200 1.00 0.00 C ATOM 154 CD1 TYR A 11 -10.037 9.661 -0.294 1.00 0.00 C ATOM 155 CD2 TYR A 11 -8.215 8.211 -0.801 1.00 0.00 C ATOM 156 CE1 TYR A 11 -10.127 9.116 0.969 1.00 0.00 C ATOM 157 CE2 TYR A 11 -8.297 7.659 0.462 1.00 0.00 C ATOM 158 CZ TYR A 11 -9.255 8.115 1.344 1.00 0.00 C ATOM 159 OH TYR A 11 -9.342 7.569 2.603 1.00 0.00 O ATOM 0 H TYR A 11 -9.333 11.498 -4.338 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.394 11.708 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.002 10.019 -2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -8.546 9.096 -3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.721 10.445 -0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.464 7.853 -1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.876 9.471 1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.615 6.875 0.758 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.657 6.876 2.707 1.00 0.00 H new ATOM 169 N THR A 12 -6.092 10.726 -1.465 1.00 0.00 N ATOM 170 CA THR A 12 -4.669 10.432 -1.346 1.00 0.00 C ATOM 171 C THR A 12 -4.420 9.292 -0.358 1.00 0.00 C ATOM 172 O THR A 12 -4.273 9.529 0.841 1.00 0.00 O ATOM 173 CB THR A 12 -3.880 11.676 -0.889 1.00 0.00 C ATOM 174 OG1 THR A 12 -4.133 12.770 -1.778 1.00 0.00 O ATOM 175 CG2 THR A 12 -2.385 11.388 -0.847 1.00 0.00 C ATOM 0 H THR A 12 -6.569 10.867 -0.574 1.00 0.00 H new ATOM 0 HA THR A 12 -4.323 10.130 -2.335 1.00 0.00 H new ATOM 0 HB THR A 12 -4.211 11.938 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.630 13.557 -1.480 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.851 12.281 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.191 10.575 -0.148 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.042 11.102 -1.841 1.00 0.00 H new ATOM 183 N PRO A 13 -4.379 8.035 -0.847 1.00 0.00 N ATOM 184 CA PRO A 13 -4.141 6.867 0.006 1.00 0.00 C ATOM 185 C PRO A 13 -2.906 7.023 0.882 1.00 0.00 C ATOM 186 O PRO A 13 -2.094 7.920 0.667 1.00 0.00 O ATOM 187 CB PRO A 13 -3.918 5.729 -0.987 1.00 0.00 C ATOM 188 CG PRO A 13 -4.613 6.150 -2.230 1.00 0.00 C ATOM 189 CD PRO A 13 -4.575 7.655 -2.260 1.00 0.00 C ATOM 0 HA PRO A 13 -4.972 6.706 0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.855 5.567 -1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.324 4.791 -0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.121 5.733 -3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.641 5.789 -2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.763 8.021 -2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.500 8.070 -2.660 1.00 0.00 H new ATOM 197 N CYS A 14 -2.775 6.115 1.850 1.00 0.00 N ATOM 198 CA CYS A 14 -1.642 6.100 2.790 1.00 0.00 C ATOM 199 C CYS A 14 -1.153 7.504 3.168 1.00 0.00 C ATOM 200 O CYS A 14 -0.514 8.181 2.365 1.00 0.00 O ATOM 201 CB CYS A 14 -0.496 5.310 2.175 1.00 0.00 C ATOM 202 SG CYS A 14 1.001 5.250 3.205 1.00 0.00 S ATOM 0 H CYS A 14 -3.450 5.366 2.009 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.991 5.631 3.710 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.833 4.291 1.983 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.243 5.749 1.210 1.00 0.00 H new ATOM 207 N SER A 15 -1.413 7.927 4.407 1.00 0.00 N ATOM 208 CA SER A 15 -0.970 9.243 4.854 1.00 0.00 C ATOM 209 C SER A 15 0.357 9.098 5.580 1.00 0.00 C ATOM 210 O SER A 15 0.436 8.464 6.632 1.00 0.00 O ATOM 211 CB SER A 15 -2.012 9.882 5.776 1.00 0.00 C ATOM 212 OG SER A 15 -2.238 9.081 6.923 1.00 0.00 O ATOM 0 H SER A 15 -1.920 7.385 5.107 1.00 0.00 H new ATOM 0 HA SER A 15 -0.846 9.893 3.988 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.674 10.872 6.081 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.948 10.018 5.233 1.00 0.00 H new ATOM 0 HG SER A 15 -1.446 8.531 7.099 1.00 0.00 H new ATOM 218 N GLY A 16 1.399 9.684 5.010 1.00 0.00 N ATOM 219 CA GLY A 16 2.711 9.569 5.592 1.00 0.00 C ATOM 220 C GLY A 16 3.805 10.117 4.709 1.00 0.00 C ATOM 221 O GLY A 16 3.551 10.832 3.739 1.00 0.00 O ATOM 0 H GLY A 16 1.355 10.237 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.725 10.096 6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.916 8.520 5.804 1.00 0.00 H new ATOM 225 N LEU A 17 5.030 9.767 5.067 1.00 0.00 N ATOM 226 CA LEU A 17 6.211 10.152 4.315 1.00 0.00 C ATOM 227 C LEU A 17 6.153 9.574 2.904 1.00 0.00 C ATOM 228 O LEU A 17 6.566 10.214 1.936 1.00 0.00 O ATOM 229 CB LEU A 17 7.457 9.622 5.042 1.00 0.00 C ATOM 230 CG LEU A 17 8.777 10.313 4.702 1.00 0.00 C ATOM 231 CD1 LEU A 17 9.246 9.940 3.304 1.00 0.00 C ATOM 232 CD2 LEU A 17 8.612 11.813 4.836 1.00 0.00 C ATOM 0 H LEU A 17 5.233 9.204 5.893 1.00 0.00 H new ATOM 0 HA LEU A 17 6.256 11.239 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.291 9.709 6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.558 8.560 4.820 1.00 0.00 H new ATOM 0 HG LEU A 17 9.542 9.976 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.187 10.446 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.392 8.861 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.495 10.245 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.554 12.306 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.836 12.156 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.327 12.058 5.859 1.00 0.00 H new ATOM 244 N TYR A 18 5.616 8.365 2.801 1.00 0.00 N ATOM 245 CA TYR A 18 5.528 7.666 1.519 1.00 0.00 C ATOM 246 C TYR A 18 4.329 8.127 0.689 1.00 0.00 C ATOM 247 O TYR A 18 4.404 8.225 -0.536 1.00 0.00 O ATOM 248 CB TYR A 18 5.436 6.167 1.788 1.00 0.00 C ATOM 249 CG TYR A 18 5.842 5.783 3.194 1.00 0.00 C ATOM 250 CD1 TYR A 18 7.181 5.750 3.562 1.00 0.00 C ATOM 251 CD2 TYR A 18 4.888 5.465 4.155 1.00 0.00 C ATOM 252 CE1 TYR A 18 7.559 5.412 4.846 1.00 0.00 C ATOM 253 CE2 TYR A 18 5.259 5.126 5.442 1.00 0.00 C ATOM 254 CZ TYR A 18 6.595 5.101 5.782 1.00 0.00 C ATOM 255 OH TYR A 18 6.967 4.764 7.062 1.00 0.00 O ATOM 0 H TYR A 18 5.233 7.844 3.590 1.00 0.00 H new ATOM 0 HA TYR A 18 6.421 7.897 0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.413 5.835 1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.071 5.638 1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.939 5.993 2.832 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.841 5.483 3.891 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.604 5.391 5.116 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.507 4.882 6.178 1.00 0.00 H new ATOM 0 HH TYR A 18 6.167 4.575 7.596 1.00 0.00 H new ATOM 265 N GLY A 19 3.242 8.419 1.378 1.00 0.00 N ATOM 266 CA GLY A 19 2.031 8.928 0.745 1.00 0.00 C ATOM 267 C GLY A 19 1.410 8.030 -0.325 1.00 0.00 C ATOM 268 O GLY A 19 0.283 8.287 -0.747 1.00 0.00 O ATOM 0 H GLY A 19 3.169 8.312 2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.286 9.105 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.258 9.894 0.294 1.00 0.00 H new ATOM 272 N THR A 20 2.111 6.987 -0.775 1.00 0.00 N ATOM 273 CA THR A 20 1.562 6.120 -1.821 1.00 0.00 C ATOM 274 C THR A 20 1.221 4.724 -1.307 1.00 0.00 C ATOM 275 O THR A 20 2.066 4.034 -0.740 1.00 0.00 O ATOM 276 CB THR A 20 2.530 5.987 -3.008 1.00 0.00 C ATOM 277 OG1 THR A 20 2.992 7.283 -3.410 1.00 0.00 O ATOM 278 CG2 THR A 20 1.840 5.305 -4.179 1.00 0.00 C ATOM 0 H THR A 20 3.039 6.726 -0.441 1.00 0.00 H new ATOM 0 HA THR A 20 0.642 6.603 -2.149 1.00 0.00 H new ATOM 0 HB THR A 20 3.381 5.381 -2.697 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.609 7.190 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.538 5.218 -5.012 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.509 4.311 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.978 5.896 -4.488 1.00 0.00 H new ATOM 286 N ALA A 21 -0.017 4.304 -1.552 1.00 0.00 N ATOM 287 CA ALA A 21 -0.490 2.991 -1.119 1.00 0.00 C ATOM 288 C ALA A 21 -0.378 1.973 -2.252 1.00 0.00 C ATOM 289 O ALA A 21 -1.219 1.940 -3.151 1.00 0.00 O ATOM 290 CB ALA A 21 -1.930 3.084 -0.625 1.00 0.00 C ATOM 0 H ALA A 21 -0.714 4.857 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 21 0.140 2.653 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.269 2.099 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.982 3.776 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.569 3.444 -1.432 1.00 0.00 H new ATOM 296 N GLN A 22 0.658 1.139 -2.199 1.00 0.00 N ATOM 297 CA GLN A 22 0.882 0.128 -3.230 1.00 0.00 C ATOM 298 C GLN A 22 1.079 -1.255 -2.612 1.00 0.00 C ATOM 299 O GLN A 22 0.945 -1.432 -1.401 1.00 0.00 O ATOM 300 CB GLN A 22 2.112 0.495 -4.065 1.00 0.00 C ATOM 301 CG GLN A 22 2.025 1.858 -4.736 1.00 0.00 C ATOM 302 CD GLN A 22 1.123 1.859 -5.955 1.00 0.00 C ATOM 303 OE1 GLN A 22 1.558 1.552 -7.063 1.00 0.00 O ATOM 304 NE2 GLN A 22 -0.139 2.220 -5.756 1.00 0.00 N ATOM 0 H GLN A 22 1.355 1.143 -1.454 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.000 0.098 -3.870 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.993 0.474 -3.423 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.258 -0.266 -4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.656 2.589 -4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.025 2.177 -5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.457 2.467 -4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.790 2.251 -6.540 1.00 0.00 H new ATOM 313 N CYS A 23 1.399 -2.231 -3.461 1.00 0.00 N ATOM 314 CA CYS A 23 1.630 -3.601 -3.014 1.00 0.00 C ATOM 315 C CYS A 23 2.883 -4.163 -3.673 1.00 0.00 C ATOM 316 O CYS A 23 2.926 -4.338 -4.891 1.00 0.00 O ATOM 317 CB CYS A 23 0.431 -4.493 -3.351 1.00 0.00 C ATOM 318 SG CYS A 23 -1.153 -3.929 -2.651 1.00 0.00 S ATOM 0 H CYS A 23 1.504 -2.096 -4.466 1.00 0.00 H new ATOM 0 HA CYS A 23 1.763 -3.587 -1.932 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.333 -4.554 -4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.633 -5.502 -2.992 1.00 0.00 H new ATOM 323 N CYS A 24 3.900 -4.443 -2.867 1.00 0.00 N ATOM 324 CA CYS A 24 5.152 -4.978 -3.387 1.00 0.00 C ATOM 325 C CYS A 24 5.611 -6.189 -2.580 1.00 0.00 C ATOM 326 O CYS A 24 5.166 -6.405 -1.453 1.00 0.00 O ATOM 327 CB CYS A 24 6.234 -3.895 -3.374 1.00 0.00 C ATOM 328 SG CYS A 24 7.316 -3.910 -4.840 1.00 0.00 S ATOM 0 H CYS A 24 3.883 -4.309 -1.856 1.00 0.00 H new ATOM 0 HA CYS A 24 4.981 -5.301 -4.414 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.755 -2.919 -3.299 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.847 -4.019 -2.481 1.00 0.00 H new ATOM 333 N ALA A 25 6.503 -6.976 -3.174 1.00 0.00 N ATOM 334 CA ALA A 25 7.033 -8.170 -2.529 1.00 0.00 C ATOM 335 C ALA A 25 8.255 -7.829 -1.688 1.00 0.00 C ATOM 336 O ALA A 25 8.821 -6.743 -1.814 1.00 0.00 O ATOM 337 CB ALA A 25 7.382 -9.218 -3.575 1.00 0.00 C ATOM 0 H ALA A 25 6.875 -6.805 -4.108 1.00 0.00 H new ATOM 0 HA ALA A 25 6.268 -8.576 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.777 -10.106 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.487 -9.483 -4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.133 -8.817 -4.256 1.00 0.00 H new ATOM 343 N THR A 26 8.660 -8.762 -0.835 1.00 0.00 N ATOM 344 CA THR A 26 9.811 -8.546 0.032 1.00 0.00 C ATOM 345 C THR A 26 10.787 -9.719 -0.018 1.00 0.00 C ATOM 346 O THR A 26 10.414 -10.838 -0.374 1.00 0.00 O ATOM 347 CB THR A 26 9.383 -8.310 1.490 1.00 0.00 C ATOM 348 OG1 THR A 26 10.493 -7.828 2.249 1.00 0.00 O ATOM 349 CG2 THR A 26 8.858 -9.591 2.120 1.00 0.00 C ATOM 0 H THR A 26 8.211 -9.671 -0.725 1.00 0.00 H new ATOM 0 HA THR A 26 10.313 -7.654 -0.343 1.00 0.00 H new ATOM 0 HB THR A 26 8.584 -7.569 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.228 -7.022 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.563 -9.395 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.995 -9.947 1.557 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.639 -10.351 2.105 1.00 0.00 H new ATOM 357 N ASP A 27 12.042 -9.451 0.343 1.00 0.00 N ATOM 358 CA ASP A 27 13.079 -10.474 0.332 1.00 0.00 C ATOM 359 C ASP A 27 13.027 -11.322 1.598 1.00 0.00 C ATOM 360 O ASP A 27 12.080 -11.237 2.380 1.00 0.00 O ATOM 361 CB ASP A 27 14.459 -9.827 0.192 1.00 0.00 C ATOM 362 CG ASP A 27 15.048 -9.411 1.525 1.00 0.00 C ATOM 363 OD1 ASP A 27 14.450 -8.544 2.191 1.00 0.00 O ATOM 364 OD2 ASP A 27 16.109 -9.953 1.901 1.00 0.00 O ATOM 0 H ASP A 27 12.362 -8.531 0.647 1.00 0.00 H new ATOM 0 HA ASP A 27 12.901 -11.126 -0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.136 -10.527 -0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.382 -8.953 -0.455 1.00 0.00 H new ATOM 369 N VAL A 28 14.056 -12.138 1.787 1.00 0.00 N ATOM 370 CA VAL A 28 14.141 -13.019 2.944 1.00 0.00 C ATOM 371 C VAL A 28 14.185 -12.254 4.268 1.00 0.00 C ATOM 372 O VAL A 28 13.459 -12.587 5.205 1.00 0.00 O ATOM 373 CB VAL A 28 15.368 -13.944 2.851 1.00 0.00 C ATOM 374 CG1 VAL A 28 15.125 -15.022 1.812 1.00 0.00 C ATOM 375 CG2 VAL A 28 16.626 -13.155 2.521 1.00 0.00 C ATOM 0 H VAL A 28 14.849 -12.208 1.149 1.00 0.00 H new ATOM 0 HA VAL A 28 13.230 -13.617 2.931 1.00 0.00 H new ATOM 0 HB VAL A 28 15.518 -14.416 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.997 -15.673 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.252 -15.610 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.950 -14.559 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.476 -13.834 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.498 -12.650 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.806 -12.415 3.301 1.00 0.00 H new ATOM 385 N LEU A 29 15.029 -11.229 4.342 1.00 0.00 N ATOM 386 CA LEU A 29 15.171 -10.444 5.565 1.00 0.00 C ATOM 387 C LEU A 29 14.009 -9.471 5.753 1.00 0.00 C ATOM 388 O LEU A 29 13.758 -9.005 6.864 1.00 0.00 O ATOM 389 CB LEU A 29 16.496 -9.688 5.545 1.00 0.00 C ATOM 390 CG LEU A 29 17.711 -10.553 5.225 1.00 0.00 C ATOM 391 CD1 LEU A 29 18.942 -9.685 5.034 1.00 0.00 C ATOM 392 CD2 LEU A 29 17.937 -11.573 6.331 1.00 0.00 C ATOM 0 H LEU A 29 15.624 -10.923 3.572 1.00 0.00 H new ATOM 0 HA LEU A 29 15.159 -11.134 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.432 -8.887 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.646 -9.217 6.517 1.00 0.00 H new ATOM 0 HG LEU A 29 17.524 -11.090 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 29 19.801 -10.317 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.774 -8.991 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.137 -9.124 5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.807 -12.184 6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.107 -11.055 7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.059 -12.212 6.422 1.00 0.00 H new ATOM 404 N GLY A 30 13.303 -9.169 4.668 1.00 0.00 N ATOM 405 CA GLY A 30 12.174 -8.260 4.750 1.00 0.00 C ATOM 406 C GLY A 30 12.429 -6.920 4.078 1.00 0.00 C ATOM 407 O GLY A 30 11.498 -6.137 3.883 1.00 0.00 O ATOM 0 H GLY A 30 13.492 -9.536 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.305 -8.729 4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.928 -8.092 5.798 1.00 0.00 H new ATOM 411 N VAL A 31 13.683 -6.643 3.734 1.00 0.00 N ATOM 412 CA VAL A 31 14.027 -5.391 3.074 1.00 0.00 C ATOM 413 C VAL A 31 14.200 -5.587 1.575 1.00 0.00 C ATOM 414 O VAL A 31 15.172 -6.190 1.122 1.00 0.00 O ATOM 415 CB VAL A 31 15.305 -4.780 3.678 1.00 0.00 C ATOM 416 CG1 VAL A 31 16.553 -5.593 3.351 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.468 -3.332 3.237 1.00 0.00 C ATOM 0 H VAL A 31 14.473 -7.266 3.901 1.00 0.00 H new ATOM 0 HA VAL A 31 13.200 -4.700 3.237 1.00 0.00 H new ATOM 0 HB VAL A 31 15.189 -4.806 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.425 -5.118 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.444 -6.602 3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.683 -5.641 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.377 -2.919 3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.536 -3.288 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.608 -2.751 3.570 1.00 0.00 H new ATOM 427 N ALA A 32 13.245 -5.068 0.804 1.00 0.00 N ATOM 428 CA ALA A 32 13.287 -5.194 -0.646 1.00 0.00 C ATOM 429 C ALA A 32 12.006 -4.681 -1.299 1.00 0.00 C ATOM 430 O ALA A 32 10.938 -4.680 -0.686 1.00 0.00 O ATOM 431 CB ALA A 32 13.522 -6.646 -1.020 1.00 0.00 C ATOM 0 H ALA A 32 12.437 -4.559 1.161 1.00 0.00 H new ATOM 0 HA ALA A 32 14.108 -4.579 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.554 -6.742 -2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.469 -6.982 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.712 -7.259 -0.625 1.00 0.00 H new ATOM 437 N ASP A 33 12.130 -4.248 -2.549 1.00 0.00 N ATOM 438 CA ASP A 33 10.994 -3.740 -3.312 1.00 0.00 C ATOM 439 C ASP A 33 10.854 -4.531 -4.613 1.00 0.00 C ATOM 440 O ASP A 33 11.057 -3.997 -5.704 1.00 0.00 O ATOM 441 CB ASP A 33 11.187 -2.243 -3.605 1.00 0.00 C ATOM 442 CG ASP A 33 11.327 -1.430 -2.336 1.00 0.00 C ATOM 443 OD1 ASP A 33 12.470 -1.265 -1.860 1.00 0.00 O ATOM 444 OD2 ASP A 33 10.295 -0.961 -1.815 1.00 0.00 O ATOM 0 H ASP A 33 13.013 -4.239 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 33 10.081 -3.862 -2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.074 -2.106 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.338 -1.874 -4.180 1.00 0.00 H new ATOM 449 N LEU A 34 10.503 -5.812 -4.485 1.00 0.00 N ATOM 450 CA LEU A 34 10.360 -6.691 -5.640 1.00 0.00 C ATOM 451 C LEU A 34 8.939 -6.669 -6.184 1.00 0.00 C ATOM 452 O LEU A 34 7.977 -6.737 -5.426 1.00 0.00 O ATOM 453 CB LEU A 34 10.728 -8.117 -5.239 1.00 0.00 C ATOM 454 CG LEU A 34 11.800 -8.209 -4.155 1.00 0.00 C ATOM 455 CD1 LEU A 34 11.817 -9.592 -3.526 1.00 0.00 C ATOM 456 CD2 LEU A 34 13.161 -7.872 -4.739 1.00 0.00 C ATOM 0 H LEU A 34 10.313 -6.262 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 34 11.028 -6.335 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.830 -8.627 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.075 -8.652 -6.123 1.00 0.00 H new ATOM 0 HG LEU A 34 11.564 -7.487 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.589 -9.633 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.846 -9.799 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.029 -10.338 -4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.919 -7.940 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.398 -8.575 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.144 -6.859 -5.140 1.00 0.00 H new ATOM 468 N ASP A 35 8.817 -6.589 -7.503 1.00 0.00 N ATOM 469 CA ASP A 35 7.511 -6.568 -8.152 1.00 0.00 C ATOM 470 C ASP A 35 6.608 -5.492 -7.552 1.00 0.00 C ATOM 471 O ASP A 35 5.782 -5.774 -6.683 1.00 0.00 O ATOM 472 CB ASP A 35 6.841 -7.939 -8.025 1.00 0.00 C ATOM 473 CG ASP A 35 7.645 -9.041 -8.687 1.00 0.00 C ATOM 474 OD1 ASP A 35 8.583 -9.559 -8.046 1.00 0.00 O ATOM 475 OD2 ASP A 35 7.333 -9.388 -9.846 1.00 0.00 O ATOM 0 H ASP A 35 9.607 -6.537 -8.146 1.00 0.00 H new ATOM 0 HA ASP A 35 7.664 -6.333 -9.205 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.704 -8.177 -6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.848 -7.898 -8.474 1.00 0.00 H new ATOM 480 N CYS A 36 6.765 -4.259 -8.026 1.00 0.00 N ATOM 481 CA CYS A 36 5.959 -3.143 -7.539 1.00 0.00 C ATOM 482 C CYS A 36 4.961 -2.697 -8.606 1.00 0.00 C ATOM 483 O CYS A 36 5.318 -2.544 -9.775 1.00 0.00 O ATOM 484 CB CYS A 36 6.857 -1.965 -7.146 1.00 0.00 C ATOM 485 SG CYS A 36 7.392 -1.961 -5.402 1.00 0.00 S ATOM 0 H CYS A 36 7.442 -4.007 -8.746 1.00 0.00 H new ATOM 0 HA CYS A 36 5.410 -3.479 -6.660 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.742 -1.972 -7.783 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.324 -1.036 -7.350 1.00 0.00 H new ATOM 490 N ALA A 37 3.710 -2.491 -8.200 1.00 0.00 N ATOM 491 CA ALA A 37 2.666 -2.071 -9.130 1.00 0.00 C ATOM 492 C ALA A 37 1.483 -1.453 -8.393 1.00 0.00 C ATOM 493 O ALA A 37 1.497 -1.330 -7.168 1.00 0.00 O ATOM 494 CB ALA A 37 2.205 -3.254 -9.963 1.00 0.00 C ATOM 0 H ALA A 37 3.396 -2.608 -7.237 1.00 0.00 H new ATOM 0 HA ALA A 37 3.085 -1.310 -9.788 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.426 -2.931 -10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.048 -3.652 -10.527 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.809 -4.029 -9.307 1.00 0.00 H new ATOM 500 N ASN A 38 0.460 -1.069 -9.151 1.00 0.00 N ATOM 501 CA ASN A 38 -0.737 -0.468 -8.573 1.00 0.00 C ATOM 502 C ASN A 38 -1.675 -1.546 -8.029 1.00 0.00 C ATOM 503 O ASN A 38 -1.890 -2.571 -8.677 1.00 0.00 O ATOM 504 CB ASN A 38 -1.467 0.379 -9.617 1.00 0.00 C ATOM 505 CG ASN A 38 -0.623 1.539 -10.112 1.00 0.00 C ATOM 506 OD1 ASN A 38 -0.681 2.640 -9.565 1.00 0.00 O ATOM 507 ND2 ASN A 38 0.170 1.297 -11.150 1.00 0.00 N ATOM 0 H ASN A 38 0.436 -1.163 -10.166 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.429 0.175 -7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.746 -0.251 -10.462 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.392 0.763 -9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.762 2.039 -11.524 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.187 0.369 -11.573 1.00 0.00 H new ATOM 514 N PRO A 39 -2.249 -1.331 -6.830 1.00 0.00 N ATOM 515 CA PRO A 39 -3.155 -2.283 -6.201 1.00 0.00 C ATOM 516 C PRO A 39 -4.617 -2.040 -6.571 1.00 0.00 C ATOM 517 O PRO A 39 -5.170 -0.986 -6.256 1.00 0.00 O ATOM 518 CB PRO A 39 -2.927 -2.003 -4.722 1.00 0.00 C ATOM 519 CG PRO A 39 -2.652 -0.536 -4.652 1.00 0.00 C ATOM 520 CD PRO A 39 -2.063 -0.135 -5.985 1.00 0.00 C ATOM 0 HA PRO A 39 -2.964 -3.311 -6.508 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.801 -2.271 -4.129 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.089 -2.582 -4.334 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.568 0.019 -4.452 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.960 -0.311 -3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.574 0.733 -6.403 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.010 0.129 -5.893 1.00 0.00 H new ATOM 528 N PRO A 40 -5.271 -3.003 -7.247 1.00 0.00 N ATOM 529 CA PRO A 40 -6.665 -2.861 -7.638 1.00 0.00 C ATOM 530 C PRO A 40 -7.619 -3.418 -6.586 1.00 0.00 C ATOM 531 O PRO A 40 -7.655 -4.627 -6.346 1.00 0.00 O ATOM 532 CB PRO A 40 -6.720 -3.709 -8.902 1.00 0.00 C ATOM 533 CG PRO A 40 -5.744 -4.821 -8.655 1.00 0.00 C ATOM 534 CD PRO A 40 -4.720 -4.300 -7.672 1.00 0.00 C ATOM 0 HA PRO A 40 -6.967 -1.822 -7.769 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.724 -4.095 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.444 -3.128 -9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.252 -5.698 -8.254 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.265 -5.127 -9.585 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.595 -4.978 -6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.741 -4.186 -8.137 1.00 0.00 H new ATOM 542 N ALA A 41 -8.391 -2.534 -5.967 1.00 0.00 N ATOM 543 CA ALA A 41 -9.357 -2.936 -4.952 1.00 0.00 C ATOM 544 C ALA A 41 -10.175 -1.743 -4.481 1.00 0.00 C ATOM 545 O ALA A 41 -10.000 -0.625 -4.969 1.00 0.00 O ATOM 546 CB ALA A 41 -8.648 -3.587 -3.773 1.00 0.00 C ATOM 0 H ALA A 41 -8.367 -1.531 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.036 -3.663 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.383 -3.881 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.106 -4.468 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.946 -2.878 -3.334 1.00 0.00 H new ATOM 552 N THR A 42 -11.070 -1.985 -3.532 1.00 0.00 N ATOM 553 CA THR A 42 -11.879 -0.928 -2.957 1.00 0.00 C ATOM 554 C THR A 42 -11.417 -0.674 -1.527 1.00 0.00 C ATOM 555 O THR A 42 -11.942 -1.259 -0.580 1.00 0.00 O ATOM 556 CB THR A 42 -13.368 -1.298 -2.959 1.00 0.00 C ATOM 557 OG1 THR A 42 -13.782 -1.665 -4.281 1.00 0.00 O ATOM 558 CG2 THR A 42 -14.203 -0.130 -2.467 1.00 0.00 C ATOM 0 H THR A 42 -11.252 -2.911 -3.145 1.00 0.00 H new ATOM 0 HA THR A 42 -11.757 -0.029 -3.561 1.00 0.00 H new ATOM 0 HB THR A 42 -13.516 -2.145 -2.289 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.733 -1.901 -4.272 1.00 0.00 H new ATOM 0 HG21 THR A 42 -15.257 -0.408 -2.474 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.903 0.130 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.050 0.728 -3.121 1.00 0.00 H new ATOM 566 N LEU A 43 -10.432 0.208 -1.381 1.00 0.00 N ATOM 567 CA LEU A 43 -9.872 0.519 -0.067 1.00 0.00 C ATOM 568 C LEU A 43 -10.916 1.147 0.848 1.00 0.00 C ATOM 569 O LEU A 43 -11.529 2.160 0.509 1.00 0.00 O ATOM 570 CB LEU A 43 -8.660 1.451 -0.194 1.00 0.00 C ATOM 571 CG LEU A 43 -7.636 1.065 -1.272 1.00 0.00 C ATOM 572 CD1 LEU A 43 -6.361 1.877 -1.103 1.00 0.00 C ATOM 573 CD2 LEU A 43 -7.327 -0.426 -1.228 1.00 0.00 C ATOM 0 H LEU A 43 -10.005 0.719 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.548 -0.422 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.019 2.458 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.151 1.488 0.769 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.070 1.289 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.644 1.593 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.591 2.939 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.933 1.682 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.599 -0.670 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.918 -0.684 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.242 -0.992 -1.399 1.00 0.00 H new ATOM 585 N ALA A 44 -11.111 0.534 2.012 1.00 0.00 N ATOM 586 CA ALA A 44 -12.075 1.026 2.987 1.00 0.00 C ATOM 587 C ALA A 44 -11.383 1.424 4.286 1.00 0.00 C ATOM 588 O ALA A 44 -11.723 2.438 4.896 1.00 0.00 O ATOM 589 CB ALA A 44 -13.139 -0.026 3.255 1.00 0.00 C ATOM 0 H ALA A 44 -10.612 -0.307 2.302 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.555 1.913 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.852 0.356 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.660 -0.261 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.668 -0.928 3.645 1.00 0.00 H new ATOM 595 N ASN A 45 -10.405 0.621 4.703 1.00 0.00 N ATOM 596 CA ASN A 45 -9.663 0.893 5.930 1.00 0.00 C ATOM 597 C ASN A 45 -8.241 0.339 5.844 1.00 0.00 C ATOM 598 O ASN A 45 -7.785 -0.055 4.770 1.00 0.00 O ATOM 599 CB ASN A 45 -10.381 0.286 7.138 1.00 0.00 C ATOM 600 CG ASN A 45 -11.781 0.842 7.323 1.00 0.00 C ATOM 601 OD1 ASN A 45 -11.977 1.842 8.013 1.00 0.00 O ATOM 602 ND2 ASN A 45 -12.763 0.194 6.706 1.00 0.00 N ATOM 0 H ASN A 45 -10.110 -0.221 4.209 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.609 1.975 6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.436 -0.796 7.017 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.796 0.477 8.038 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.725 0.522 6.795 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.555 -0.631 6.144 1.00 0.00 H new ATOM 609 N ALA A 46 -7.549 0.313 6.980 1.00 0.00 N ATOM 610 CA ALA A 46 -6.180 -0.193 7.032 1.00 0.00 C ATOM 611 C ALA A 46 -6.135 -1.690 6.753 1.00 0.00 C ATOM 612 O ALA A 46 -5.288 -2.164 5.995 1.00 0.00 O ATOM 613 CB ALA A 46 -5.551 0.112 8.384 1.00 0.00 C ATOM 0 H ALA A 46 -7.913 0.636 7.876 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.606 0.313 6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.531 -0.272 8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.536 1.190 8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.134 -0.364 9.172 1.00 0.00 H new ATOM 619 N THR A 47 -7.052 -2.430 7.365 1.00 0.00 N ATOM 620 CA THR A 47 -7.117 -3.869 7.187 1.00 0.00 C ATOM 621 C THR A 47 -7.547 -4.213 5.768 1.00 0.00 C ATOM 622 O THR A 47 -7.040 -5.161 5.166 1.00 0.00 O ATOM 623 CB THR A 47 -8.096 -4.497 8.192 1.00 0.00 C ATOM 624 OG1 THR A 47 -7.588 -4.355 9.524 1.00 0.00 O ATOM 625 CG2 THR A 47 -8.328 -5.966 7.888 1.00 0.00 C ATOM 0 H THR A 47 -7.763 -2.051 7.991 1.00 0.00 H new ATOM 0 HA THR A 47 -6.121 -4.275 7.364 1.00 0.00 H new ATOM 0 HB THR A 47 -9.049 -3.974 8.106 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.218 -4.756 10.159 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.025 -6.383 8.616 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.745 -6.069 6.886 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.381 -6.503 7.944 1.00 0.00 H new ATOM 633 N HIS A 48 -8.488 -3.439 5.239 1.00 0.00 N ATOM 634 CA HIS A 48 -8.974 -3.651 3.884 1.00 0.00 C ATOM 635 C HIS A 48 -7.825 -3.507 2.896 1.00 0.00 C ATOM 636 O HIS A 48 -7.771 -4.203 1.881 1.00 0.00 O ATOM 637 CB HIS A 48 -10.083 -2.652 3.555 1.00 0.00 C ATOM 638 CG HIS A 48 -10.992 -3.107 2.455 1.00 0.00 C ATOM 639 ND1 HIS A 48 -12.354 -3.249 2.616 1.00 0.00 N ATOM 640 CD2 HIS A 48 -10.728 -3.454 1.173 1.00 0.00 C ATOM 641 CE1 HIS A 48 -12.889 -3.665 1.482 1.00 0.00 C ATOM 642 NE2 HIS A 48 -11.924 -3.796 0.591 1.00 0.00 N ATOM 0 H HIS A 48 -8.928 -2.660 5.729 1.00 0.00 H new ATOM 0 HA HIS A 48 -9.383 -4.658 3.809 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.675 -2.470 4.452 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.632 -1.701 3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.758 -3.461 0.697 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -13.937 -3.864 1.313 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.047 -4.102 -0.374 1.00 0.00 H new ATOM 651 N PHE A 49 -6.905 -2.596 3.203 1.00 0.00 N ATOM 652 CA PHE A 49 -5.744 -2.369 2.353 1.00 0.00 C ATOM 653 C PHE A 49 -4.819 -3.579 2.403 1.00 0.00 C ATOM 654 O PHE A 49 -4.243 -3.975 1.389 1.00 0.00 O ATOM 655 CB PHE A 49 -4.991 -1.104 2.790 1.00 0.00 C ATOM 656 CG PHE A 49 -3.762 -0.821 1.970 1.00 0.00 C ATOM 657 CD1 PHE A 49 -3.810 -0.860 0.584 1.00 0.00 C ATOM 658 CD2 PHE A 49 -2.557 -0.522 2.586 1.00 0.00 C ATOM 659 CE1 PHE A 49 -2.682 -0.605 -0.171 1.00 0.00 C ATOM 660 CE2 PHE A 49 -1.425 -0.266 1.835 1.00 0.00 C ATOM 661 CZ PHE A 49 -1.487 -0.308 0.457 1.00 0.00 C ATOM 0 H PHE A 49 -6.943 -2.005 4.033 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.086 -2.226 1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.665 -0.250 2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.704 -1.206 3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.741 -1.093 0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.502 -0.489 3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.733 -0.638 -1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.492 -0.033 2.327 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.603 -0.109 -0.130 1.00 0.00 H new ATOM 671 N GLU A 50 -4.678 -4.161 3.591 1.00 0.00 N ATOM 672 CA GLU A 50 -3.841 -5.341 3.765 1.00 0.00 C ATOM 673 C GLU A 50 -4.385 -6.487 2.921 1.00 0.00 C ATOM 674 O GLU A 50 -3.630 -7.250 2.318 1.00 0.00 O ATOM 675 CB GLU A 50 -3.798 -5.748 5.241 1.00 0.00 C ATOM 676 CG GLU A 50 -2.966 -6.993 5.508 1.00 0.00 C ATOM 677 CD GLU A 50 -3.185 -7.554 6.900 1.00 0.00 C ATOM 678 OE1 GLU A 50 -4.205 -8.246 7.107 1.00 0.00 O ATOM 679 OE2 GLU A 50 -2.336 -7.305 7.782 1.00 0.00 O ATOM 0 H GLU A 50 -5.132 -3.835 4.444 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.827 -5.108 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.395 -4.921 5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.816 -5.920 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.213 -7.756 4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.910 -6.755 5.378 1.00 0.00 H new ATOM 686 N SER A 51 -5.710 -6.593 2.890 1.00 0.00 N ATOM 687 CA SER A 51 -6.395 -7.610 2.138 1.00 0.00 C ATOM 688 C SER A 51 -6.230 -7.390 0.634 1.00 0.00 C ATOM 689 O SER A 51 -6.335 -8.329 -0.156 1.00 0.00 O ATOM 690 CB SER A 51 -7.871 -7.559 2.525 1.00 0.00 C ATOM 691 OG SER A 51 -8.039 -7.749 3.920 1.00 0.00 O ATOM 0 H SER A 51 -6.334 -5.964 3.395 1.00 0.00 H new ATOM 0 HA SER A 51 -5.972 -8.588 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.294 -6.598 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.420 -8.328 1.981 1.00 0.00 H new ATOM 0 HG SER A 51 -7.764 -6.938 4.396 1.00 0.00 H new ATOM 697 N THR A 52 -5.972 -6.142 0.248 1.00 0.00 N ATOM 698 CA THR A 52 -5.797 -5.790 -1.158 1.00 0.00 C ATOM 699 C THR A 52 -4.514 -6.388 -1.723 1.00 0.00 C ATOM 700 O THR A 52 -4.501 -6.917 -2.835 1.00 0.00 O ATOM 701 CB THR A 52 -5.768 -4.261 -1.352 1.00 0.00 C ATOM 702 OG1 THR A 52 -7.016 -3.690 -0.941 1.00 0.00 O ATOM 703 CG2 THR A 52 -5.495 -3.897 -2.806 1.00 0.00 C ATOM 0 H THR A 52 -5.879 -5.356 0.892 1.00 0.00 H new ATOM 0 HA THR A 52 -6.651 -6.203 -1.696 1.00 0.00 H new ATOM 0 HB THR A 52 -4.962 -3.859 -0.738 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.191 -3.924 -0.006 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.480 -2.812 -2.913 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.530 -4.305 -3.108 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.279 -4.313 -3.439 1.00 0.00 H new ATOM 711 N CYS A 53 -3.437 -6.299 -0.952 1.00 0.00 N ATOM 712 CA CYS A 53 -2.148 -6.824 -1.382 1.00 0.00 C ATOM 713 C CYS A 53 -2.086 -8.337 -1.208 1.00 0.00 C ATOM 714 O CYS A 53 -1.353 -9.018 -1.920 1.00 0.00 O ATOM 715 CB CYS A 53 -1.013 -6.166 -0.597 1.00 0.00 C ATOM 716 SG CYS A 53 -1.007 -4.346 -0.672 1.00 0.00 S ATOM 0 H CYS A 53 -3.431 -5.869 -0.027 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.031 -6.592 -2.441 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.082 -6.475 0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.061 -6.537 -0.977 1.00 0.00 H new ATOM 721 N ALA A 54 -2.871 -8.857 -0.270 1.00 0.00 N ATOM 722 CA ALA A 54 -2.896 -10.286 0.002 1.00 0.00 C ATOM 723 C ALA A 54 -3.712 -11.006 -1.058 1.00 0.00 C ATOM 724 O ALA A 54 -3.585 -12.215 -1.254 1.00 0.00 O ATOM 725 CB ALA A 54 -3.467 -10.543 1.386 1.00 0.00 C ATOM 0 H ALA A 54 -3.499 -8.306 0.315 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.877 -10.672 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.482 -11.615 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.847 -10.047 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.483 -10.151 1.439 1.00 0.00 H new ATOM 731 N ALA A 55 -4.551 -10.238 -1.735 1.00 0.00 N ATOM 732 CA ALA A 55 -5.412 -10.752 -2.780 1.00 0.00 C ATOM 733 C ALA A 55 -4.616 -11.291 -3.964 1.00 0.00 C ATOM 734 O ALA A 55 -4.993 -12.294 -4.570 1.00 0.00 O ATOM 735 CB ALA A 55 -6.347 -9.655 -3.232 1.00 0.00 C ATOM 0 H ALA A 55 -4.652 -9.236 -1.572 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.983 -11.587 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.999 -10.034 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.952 -9.322 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.766 -8.816 -3.615 1.00 0.00 H new ATOM 741 N ILE A 56 -3.515 -10.620 -4.291 1.00 0.00 N ATOM 742 CA ILE A 56 -2.684 -11.028 -5.419 1.00 0.00 C ATOM 743 C ILE A 56 -1.383 -11.705 -4.980 1.00 0.00 C ATOM 744 O ILE A 56 -0.505 -11.960 -5.806 1.00 0.00 O ATOM 745 CB ILE A 56 -2.366 -9.834 -6.340 1.00 0.00 C ATOM 746 CG1 ILE A 56 -2.066 -8.577 -5.514 1.00 0.00 C ATOM 747 CG2 ILE A 56 -3.528 -9.591 -7.293 1.00 0.00 C ATOM 748 CD1 ILE A 56 -1.869 -7.327 -6.349 1.00 0.00 C ATOM 0 H ILE A 56 -3.179 -9.795 -3.794 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.268 -11.763 -5.974 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.477 -10.069 -6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.885 -8.410 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.169 -8.750 -4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.296 -8.746 -7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.692 -10.480 -7.901 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.429 -9.373 -6.720 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.661 -6.481 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.031 -7.473 -7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.773 -7.127 -6.924 1.00 0.00 H new ATOM 760 N GLY A 57 -1.259 -11.994 -3.686 1.00 0.00 N ATOM 761 CA GLY A 57 -0.066 -12.670 -3.192 1.00 0.00 C ATOM 762 C GLY A 57 1.062 -11.726 -2.795 1.00 0.00 C ATOM 763 O GLY A 57 2.225 -11.989 -3.105 1.00 0.00 O ATOM 0 H GLY A 57 -1.956 -11.775 -2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.337 -13.279 -2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.298 -13.351 -3.961 1.00 0.00 H new ATOM 767 N GLN A 58 0.732 -10.633 -2.110 1.00 0.00 N ATOM 768 CA GLN A 58 1.744 -9.673 -1.672 1.00 0.00 C ATOM 769 C GLN A 58 1.347 -9.016 -0.349 1.00 0.00 C ATOM 770 O GLN A 58 0.306 -9.337 0.227 1.00 0.00 O ATOM 771 CB GLN A 58 1.971 -8.603 -2.743 1.00 0.00 C ATOM 772 CG GLN A 58 2.829 -9.087 -3.909 1.00 0.00 C ATOM 773 CD GLN A 58 3.014 -8.027 -4.977 1.00 0.00 C ATOM 774 OE1 GLN A 58 3.964 -7.246 -4.934 1.00 0.00 O ATOM 775 NE2 GLN A 58 2.106 -7.994 -5.944 1.00 0.00 N ATOM 0 H GLN A 58 -0.223 -10.390 -1.847 1.00 0.00 H new ATOM 0 HA GLN A 58 2.674 -10.219 -1.517 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.006 -8.271 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.448 -7.736 -2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.805 -9.394 -3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.367 -9.969 -4.354 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.334 -8.660 -5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.180 -7.302 -6.690 1.00 0.00 H new ATOM 784 N ARG A 59 2.186 -8.099 0.129 1.00 0.00 N ATOM 785 CA ARG A 59 1.928 -7.401 1.389 1.00 0.00 C ATOM 786 C ARG A 59 1.831 -5.889 1.178 1.00 0.00 C ATOM 787 O ARG A 59 2.417 -5.344 0.241 1.00 0.00 O ATOM 788 CB ARG A 59 3.032 -7.718 2.404 1.00 0.00 C ATOM 789 CG ARG A 59 3.070 -9.181 2.826 1.00 0.00 C ATOM 790 CD ARG A 59 4.255 -9.472 3.736 1.00 0.00 C ATOM 791 NE ARG A 59 4.275 -10.862 4.180 1.00 0.00 N ATOM 792 CZ ARG A 59 4.944 -11.286 5.249 1.00 0.00 C ATOM 793 NH1 ARG A 59 5.647 -10.428 5.977 1.00 0.00 N ATOM 794 NH2 ARG A 59 4.909 -12.566 5.593 1.00 0.00 N ATOM 0 H ARG A 59 3.050 -7.821 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 59 0.971 -7.751 1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.997 -7.447 1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.890 -7.097 3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.144 -9.436 3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.127 -9.814 1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.182 -9.247 3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.215 -8.815 4.604 1.00 0.00 H new ATOM 0 HE ARG A 59 3.746 -11.547 3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.675 -9.442 5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.159 -10.754 6.796 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.368 -13.229 5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.423 -12.888 6.413 1.00 0.00 H new ATOM 808 N ALA A 60 1.085 -5.218 2.059 1.00 0.00 N ATOM 809 CA ALA A 60 0.901 -3.772 1.976 1.00 0.00 C ATOM 810 C ALA A 60 2.195 -3.021 2.271 1.00 0.00 C ATOM 811 O ALA A 60 2.739 -3.113 3.372 1.00 0.00 O ATOM 812 CB ALA A 60 -0.195 -3.334 2.934 1.00 0.00 C ATOM 0 H ALA A 60 0.598 -5.658 2.840 1.00 0.00 H new ATOM 0 HA ALA A 60 0.607 -3.529 0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.327 -2.254 2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.129 -3.831 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.084 -3.603 3.953 1.00 0.00 H new ATOM 818 N ARG A 61 2.681 -2.276 1.280 1.00 0.00 N ATOM 819 CA ARG A 61 3.909 -1.502 1.437 1.00 0.00 C ATOM 820 C ARG A 61 3.750 -0.100 0.854 1.00 0.00 C ATOM 821 O ARG A 61 3.566 0.066 -0.352 1.00 0.00 O ATOM 822 CB ARG A 61 5.084 -2.211 0.759 1.00 0.00 C ATOM 823 CG ARG A 61 5.222 -3.673 1.151 1.00 0.00 C ATOM 824 CD ARG A 61 5.747 -3.821 2.570 1.00 0.00 C ATOM 825 NE ARG A 61 7.047 -3.177 2.739 1.00 0.00 N ATOM 826 CZ ARG A 61 7.874 -3.432 3.747 1.00 0.00 C ATOM 827 NH1 ARG A 61 7.539 -4.314 4.680 1.00 0.00 N ATOM 828 NH2 ARG A 61 9.040 -2.804 3.823 1.00 0.00 N ATOM 0 H ARG A 61 2.244 -2.193 0.362 1.00 0.00 H new ATOM 0 HA ARG A 61 4.112 -1.416 2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.963 -2.143 -0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.007 -1.688 1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.254 -4.167 1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.897 -4.175 0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.033 -3.386 3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.831 -4.879 2.818 1.00 0.00 H new ATOM 0 HE ARG A 61 7.337 -2.491 2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.644 -4.799 4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.177 -4.507 5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.301 -2.126 3.108 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.675 -3.000 4.597 1.00 0.00 H new ATOM 842 N CYS A 62 3.820 0.902 1.722 1.00 0.00 N ATOM 843 CA CYS A 62 3.696 2.295 1.305 1.00 0.00 C ATOM 844 C CYS A 62 5.089 2.876 1.043 1.00 0.00 C ATOM 845 O CYS A 62 5.864 3.087 1.974 1.00 0.00 O ATOM 846 CB CYS A 62 2.955 3.096 2.387 1.00 0.00 C ATOM 847 SG CYS A 62 2.449 4.767 1.881 1.00 0.00 S ATOM 0 H CYS A 62 3.963 0.776 2.724 1.00 0.00 H new ATOM 0 HA CYS A 62 3.119 2.356 0.382 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.069 2.539 2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 62 3.597 3.175 3.265 1.00 0.00 H new ATOM 852 N CYS A 63 5.407 3.122 -0.232 1.00 0.00 N ATOM 853 CA CYS A 63 6.726 3.642 -0.607 1.00 0.00 C ATOM 854 C CYS A 63 6.698 5.124 -0.972 1.00 0.00 C ATOM 855 O CYS A 63 5.706 5.639 -1.489 1.00 0.00 O ATOM 856 CB CYS A 63 7.300 2.835 -1.773 1.00 0.00 C ATOM 857 SG CYS A 63 7.815 1.147 -1.321 1.00 0.00 S ATOM 0 H CYS A 63 4.774 2.971 -1.017 1.00 0.00 H new ATOM 0 HA CYS A 63 7.364 3.538 0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.552 2.776 -2.564 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.158 3.368 -2.184 1.00 0.00 H new ATOM 862 N VAL A 64 7.815 5.795 -0.689 1.00 0.00 N ATOM 863 CA VAL A 64 7.979 7.218 -0.967 1.00 0.00 C ATOM 864 C VAL A 64 8.756 7.430 -2.264 1.00 0.00 C ATOM 865 O VAL A 64 9.618 6.626 -2.623 1.00 0.00 O ATOM 866 CB VAL A 64 8.689 7.931 0.219 1.00 0.00 C ATOM 867 CG1 VAL A 64 9.595 6.982 0.966 1.00 0.00 C ATOM 868 CG2 VAL A 64 9.479 9.144 -0.229 1.00 0.00 C ATOM 0 H VAL A 64 8.633 5.363 -0.259 1.00 0.00 H new ATOM 0 HA VAL A 64 6.989 7.657 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 64 7.899 8.271 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.076 7.510 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.007 6.153 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.356 6.596 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.956 9.607 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.242 8.837 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.808 9.862 -0.701 1.00 0.00 H new ATOM 878 N LEU A 65 8.437 8.519 -2.959 1.00 0.00 N ATOM 879 CA LEU A 65 9.087 8.851 -4.225 1.00 0.00 C ATOM 880 C LEU A 65 10.612 8.778 -4.106 1.00 0.00 C ATOM 881 O LEU A 65 11.179 9.180 -3.089 1.00 0.00 O ATOM 882 CB LEU A 65 8.667 10.251 -4.678 1.00 0.00 C ATOM 883 CG LEU A 65 7.441 10.298 -5.592 1.00 0.00 C ATOM 884 CD1 LEU A 65 6.902 11.716 -5.685 1.00 0.00 C ATOM 885 CD2 LEU A 65 7.783 9.767 -6.978 1.00 0.00 C ATOM 0 H LEU A 65 7.728 9.191 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 65 8.770 8.118 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.465 10.856 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.506 10.715 -5.197 1.00 0.00 H new ATOM 0 HG LEU A 65 6.668 9.661 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.030 11.732 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.617 12.063 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.672 12.372 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.898 9.809 -7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.573 10.377 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.124 8.735 -6.898 1.00 0.00 H new ATOM 897 N PRO A 66 11.298 8.262 -5.148 1.00 0.00 N ATOM 898 CA PRO A 66 12.762 8.137 -5.150 1.00 0.00 C ATOM 899 C PRO A 66 13.463 9.482 -4.983 1.00 0.00 C ATOM 900 O PRO A 66 13.066 10.477 -5.588 1.00 0.00 O ATOM 901 CB PRO A 66 13.080 7.545 -6.529 1.00 0.00 C ATOM 902 CG PRO A 66 11.804 6.924 -6.988 1.00 0.00 C ATOM 903 CD PRO A 66 10.704 7.761 -6.402 1.00 0.00 C ATOM 0 HA PRO A 66 13.110 7.524 -4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.414 8.317 -7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.878 6.805 -6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.746 6.910 -8.076 1.00 0.00 H new ATOM 0 HG3 PRO A 66 11.730 5.890 -6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.419 8.576 -7.067 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.805 7.173 -6.216 1.00 0.00 H new ATOM 911 N ILE A 67 14.514 9.498 -4.166 1.00 0.00 N ATOM 912 CA ILE A 67 15.280 10.716 -3.917 1.00 0.00 C ATOM 913 C ILE A 67 16.775 10.439 -4.054 1.00 0.00 C ATOM 914 O ILE A 67 17.369 9.764 -3.214 1.00 0.00 O ATOM 915 CB ILE A 67 15.005 11.296 -2.511 1.00 0.00 C ATOM 916 CG1 ILE A 67 13.500 11.427 -2.248 1.00 0.00 C ATOM 917 CG2 ILE A 67 15.688 12.648 -2.348 1.00 0.00 C ATOM 918 CD1 ILE A 67 12.796 12.391 -3.179 1.00 0.00 C ATOM 0 H ILE A 67 14.855 8.678 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 67 14.963 11.448 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 67 15.417 10.602 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.038 10.444 -2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.348 11.754 -1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 67 15.483 13.041 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.764 12.530 -2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.306 13.341 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.736 12.429 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.230 13.385 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.915 12.055 -4.209 1.00 0.00 H new ATOM 930 N LEU A 68 17.375 10.952 -5.123 1.00 0.00 N ATOM 931 CA LEU A 68 18.800 10.757 -5.373 1.00 0.00 C ATOM 932 C LEU A 68 19.638 11.162 -4.164 1.00 0.00 C ATOM 933 O LEU A 68 19.585 12.305 -3.710 1.00 0.00 O ATOM 934 CB LEU A 68 19.236 11.556 -6.608 1.00 0.00 C ATOM 935 CG LEU A 68 19.427 10.759 -7.911 1.00 0.00 C ATOM 936 CD1 LEU A 68 18.366 9.684 -8.041 1.00 0.00 C ATOM 937 CD2 LEU A 68 19.378 11.693 -9.097 1.00 0.00 C ATOM 0 H LEU A 68 16.896 11.507 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 68 18.965 9.695 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.495 12.334 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 68 20.175 12.058 -6.375 1.00 0.00 H new ATOM 0 HG LEU A 68 20.402 10.273 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 68 18.519 9.132 -8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 68 18.436 8.999 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 68 17.379 10.146 -8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.514 11.122 -10.016 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.412 12.198 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 68 20.172 12.434 -9.010 1.00 0.00 H new ATOM 949 N GLY A 69 20.410 10.209 -3.650 1.00 0.00 N ATOM 950 CA GLY A 69 21.258 10.470 -2.498 1.00 0.00 C ATOM 951 C GLY A 69 20.845 9.673 -1.275 1.00 0.00 C ATOM 952 O GLY A 69 21.514 9.719 -0.241 1.00 0.00 O ATOM 0 H GLY A 69 20.464 9.257 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 69 22.291 10.231 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 69 21.226 11.534 -2.262 1.00 0.00 H new ATOM 956 N GLN A 70 19.741 8.942 -1.392 1.00 0.00 N ATOM 957 CA GLN A 70 19.232 8.130 -0.290 1.00 0.00 C ATOM 958 C GLN A 70 18.521 6.888 -0.805 1.00 0.00 C ATOM 959 O GLN A 70 18.187 6.785 -1.985 1.00 0.00 O ATOM 960 CB GLN A 70 18.278 8.952 0.573 1.00 0.00 C ATOM 961 CG GLN A 70 17.193 9.633 -0.234 1.00 0.00 C ATOM 962 CD GLN A 70 16.454 10.670 0.576 1.00 0.00 C ATOM 963 OE1 GLN A 70 16.841 11.837 0.619 1.00 0.00 O ATOM 964 NE2 GLN A 70 15.384 10.245 1.224 1.00 0.00 N ATOM 0 H GLN A 70 19.179 8.895 -2.242 1.00 0.00 H new ATOM 0 HA GLN A 70 20.082 7.812 0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.817 8.302 1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.847 9.706 1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 70 17.636 10.105 -1.111 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.487 8.886 -0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.102 9.267 1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.839 10.895 1.791 1.00 0.00 H new ATOM 973 N ASP A 71 18.296 5.953 0.104 1.00 0.00 N ATOM 974 CA ASP A 71 17.631 4.697 -0.224 1.00 0.00 C ATOM 975 C ASP A 71 16.119 4.882 -0.256 1.00 0.00 C ATOM 976 O ASP A 71 15.605 5.923 0.152 1.00 0.00 O ATOM 977 CB ASP A 71 18.006 3.621 0.800 1.00 0.00 C ATOM 978 CG ASP A 71 17.455 2.254 0.437 1.00 0.00 C ATOM 979 OD1 ASP A 71 18.093 1.553 -0.376 1.00 0.00 O ATOM 980 OD2 ASP A 71 16.386 1.886 0.968 1.00 0.00 O ATOM 0 H ASP A 71 18.566 6.039 1.084 1.00 0.00 H new ATOM 0 HA ASP A 71 17.962 4.379 -1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.092 3.562 0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.630 3.911 1.781 1.00 0.00 H new ATOM 985 N ILE A 72 15.410 3.869 -0.744 1.00 0.00 N ATOM 986 CA ILE A 72 13.957 3.925 -0.821 1.00 0.00 C ATOM 987 C ILE A 72 13.334 3.548 0.525 1.00 0.00 C ATOM 988 O ILE A 72 13.604 2.480 1.074 1.00 0.00 O ATOM 989 CB ILE A 72 13.411 3.008 -1.945 1.00 0.00 C ATOM 990 CG1 ILE A 72 11.927 3.292 -2.189 1.00 0.00 C ATOM 991 CG2 ILE A 72 13.624 1.535 -1.611 1.00 0.00 C ATOM 992 CD1 ILE A 72 11.358 2.559 -3.387 1.00 0.00 C ATOM 0 H ILE A 72 15.819 3.001 -1.091 1.00 0.00 H new ATOM 0 HA ILE A 72 13.678 4.950 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 72 13.966 3.227 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.361 3.012 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.789 4.364 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.230 0.918 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.690 1.339 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.104 1.293 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.303 2.808 -3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 72 11.898 2.857 -4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.463 1.484 -3.240 1.00 0.00 H new ATOM 1004 N LEU A 73 12.513 4.449 1.061 1.00 0.00 N ATOM 1005 CA LEU A 73 11.864 4.230 2.347 1.00 0.00 C ATOM 1006 C LEU A 73 10.508 3.546 2.174 1.00 0.00 C ATOM 1007 O LEU A 73 9.563 4.136 1.657 1.00 0.00 O ATOM 1008 CB LEU A 73 11.702 5.570 3.083 1.00 0.00 C ATOM 1009 CG LEU A 73 12.972 6.108 3.757 1.00 0.00 C ATOM 1010 CD1 LEU A 73 13.465 5.142 4.824 1.00 0.00 C ATOM 1011 CD2 LEU A 73 14.065 6.367 2.727 1.00 0.00 C ATOM 0 H LEU A 73 12.282 5.340 0.621 1.00 0.00 H new ATOM 0 HA LEU A 73 12.494 3.569 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.345 6.315 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.928 5.457 3.842 1.00 0.00 H new ATOM 0 HG LEU A 73 12.724 7.055 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.366 5.542 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.692 5.012 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.690 4.179 4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.955 6.748 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.308 5.437 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.715 7.102 2.002 1.00 0.00 H new ATOM 1023 N CYS A 74 10.423 2.292 2.609 1.00 0.00 N ATOM 1024 CA CYS A 74 9.182 1.527 2.501 1.00 0.00 C ATOM 1025 C CYS A 74 8.919 0.719 3.774 1.00 0.00 C ATOM 1026 O CYS A 74 9.811 0.040 4.281 1.00 0.00 O ATOM 1027 CB CYS A 74 9.246 0.586 1.296 1.00 0.00 C ATOM 1028 SG CYS A 74 9.538 1.434 -0.289 1.00 0.00 S ATOM 0 H CYS A 74 11.196 1.784 3.039 1.00 0.00 H new ATOM 0 HA CYS A 74 8.363 2.233 2.366 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.040 -0.143 1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.311 0.030 1.232 1.00 0.00 H new ATOM 1033 N GLN A 75 7.687 0.798 4.287 1.00 0.00 N ATOM 1034 CA GLN A 75 7.309 0.072 5.501 1.00 0.00 C ATOM 1035 C GLN A 75 5.797 -0.140 5.552 1.00 0.00 C ATOM 1036 O GLN A 75 5.051 0.449 4.770 1.00 0.00 O ATOM 1037 CB GLN A 75 7.762 0.821 6.767 1.00 0.00 C ATOM 1038 CG GLN A 75 8.604 2.071 6.505 1.00 0.00 C ATOM 1039 CD GLN A 75 8.988 2.794 7.785 1.00 0.00 C ATOM 1040 OE1 GLN A 75 10.048 3.414 7.865 1.00 0.00 O ATOM 1041 NE2 GLN A 75 8.125 2.721 8.792 1.00 0.00 N ATOM 0 H GLN A 75 6.937 1.357 3.880 1.00 0.00 H new ATOM 0 HA GLN A 75 7.810 -0.895 5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.879 1.108 7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 75 8.337 0.137 7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.508 1.789 5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.047 2.751 5.860 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.257 2.196 8.683 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.330 3.190 9.674 1.00 0.00 H new ATOM 1050 N THR A 76 5.352 -0.985 6.480 1.00 0.00 N ATOM 1051 CA THR A 76 3.934 -1.275 6.640 1.00 0.00 C ATOM 1052 C THR A 76 3.325 -0.412 7.750 1.00 0.00 C ATOM 1053 O THR A 76 3.934 -0.241 8.805 1.00 0.00 O ATOM 1054 CB THR A 76 3.717 -2.763 6.976 1.00 0.00 C ATOM 1055 OG1 THR A 76 4.291 -3.584 5.952 1.00 0.00 O ATOM 1056 CG2 THR A 76 2.237 -3.081 7.112 1.00 0.00 C ATOM 0 H THR A 76 5.958 -1.481 7.133 1.00 0.00 H new ATOM 0 HA THR A 76 3.440 -1.044 5.696 1.00 0.00 H new ATOM 0 HB THR A 76 4.205 -2.970 7.928 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.814 -3.436 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.112 -4.138 7.349 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.807 -2.476 7.911 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.729 -2.857 6.174 1.00 0.00 H new ATOM 1064 N PRO A 77 2.116 0.144 7.529 1.00 0.00 N ATOM 1065 CA PRO A 77 1.451 0.993 8.517 1.00 0.00 C ATOM 1066 C PRO A 77 0.686 0.195 9.569 1.00 0.00 C ATOM 1067 O PRO A 77 0.036 -0.803 9.257 1.00 0.00 O ATOM 1068 CB PRO A 77 0.488 1.811 7.661 1.00 0.00 C ATOM 1069 CG PRO A 77 0.115 0.899 6.541 1.00 0.00 C ATOM 1070 CD PRO A 77 1.302 -0.005 6.305 1.00 0.00 C ATOM 0 HA PRO A 77 2.162 1.588 9.091 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.389 2.117 8.232 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.961 2.721 7.291 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.771 0.317 6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.124 1.467 5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.992 -1.039 6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.859 0.292 5.417 1.00 0.00 H new ATOM 1078 N ALA A 78 0.776 0.647 10.819 1.00 0.00 N ATOM 1079 CA ALA A 78 0.095 -0.002 11.938 1.00 0.00 C ATOM 1080 C ALA A 78 0.598 -1.426 12.167 1.00 0.00 C ATOM 1081 O ALA A 78 0.086 -2.141 13.027 1.00 0.00 O ATOM 1082 CB ALA A 78 -1.412 0.000 11.719 1.00 0.00 C ATOM 0 H ALA A 78 1.320 1.468 11.084 1.00 0.00 H new ATOM 0 HA ALA A 78 0.325 0.573 12.835 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.903 -0.487 12.562 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.766 1.028 11.637 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.647 -0.539 10.801 1.00 0.00 H new ATOM 1088 N GLY A 79 1.598 -1.835 11.391 1.00 0.00 N ATOM 1089 CA GLY A 79 2.149 -3.165 11.536 1.00 0.00 C ATOM 1090 C GLY A 79 1.174 -4.239 11.106 1.00 0.00 C ATOM 1091 O GLY A 79 1.087 -5.297 11.730 1.00 0.00 O ATOM 0 H GLY A 79 2.035 -1.267 10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.060 -3.245 10.943 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.431 -3.328 12.576 1.00 0.00 H new ATOM 1095 N LEU A 80 0.436 -3.958 10.037 1.00 0.00 N ATOM 1096 CA LEU A 80 -0.546 -4.899 9.507 1.00 0.00 C ATOM 1097 C LEU A 80 0.072 -6.276 9.285 1.00 0.00 C ATOM 1098 O LEU A 80 -0.088 -7.146 10.166 1.00 0.00 O ATOM 1099 CB LEU A 80 -1.124 -4.371 8.196 1.00 0.00 C ATOM 1100 CG LEU A 80 -2.086 -3.196 8.338 1.00 0.00 C ATOM 1101 CD1 LEU A 80 -2.197 -2.440 7.029 1.00 0.00 C ATOM 1102 CD2 LEU A 80 -3.449 -3.691 8.788 1.00 0.00 C ATOM 1103 OXT LEU A 80 0.711 -6.474 8.229 1.00 0.00 O ATOM 0 H LEU A 80 0.500 -3.082 9.518 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.346 -4.999 10.240 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.300 -4.069 7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.643 -5.186 7.692 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.697 -2.513 9.093 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.887 -1.605 7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.216 -2.061 6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.568 -3.109 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.129 -2.845 8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.844 -4.390 8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.354 -4.194 9.750 1.00 0.00 H new TER 1115 LEU A 80