USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 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=-0.00555 USER MOD Set 1.2: A 75 GLN :FLIP amide:sc= 0 F(o=-0.71,f=-0.0056) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.65) 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 34:sc= 0.52 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.92 K(o=-2.9,f=-9.4!) USER MOD Single : A 26 THR OG1 : rot 130:sc= -0.605 USER MOD Single : A 38 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.00055) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-2.8!) USER MOD Single : A 51 SER OG : rot 72:sc= 0.126 USER MOD Single : A 52 THR OG1 : rot 58:sc= -0.182 USER MOD Single : A 58 GLN : amide:sc= -0.0696 K(o=-0.07,f=-3.2!) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.28 F(o=-2.5!,f=-1.3) USER MOD Single : A 76 THR OG1 : rot -82:sc= 0.26 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -24.527 -7.762 -4.531 1.00 0.00 N ATOM 2 CA SER A 1 -25.113 -7.171 -3.300 1.00 0.00 C ATOM 3 C SER A 1 -25.460 -5.697 -3.512 1.00 0.00 C ATOM 4 O SER A 1 -24.576 -4.841 -3.475 1.00 0.00 O ATOM 5 CB SER A 1 -24.133 -7.308 -2.133 1.00 0.00 C ATOM 6 OG SER A 1 -23.847 -8.669 -1.863 1.00 0.00 O ATOM 0 H1 SER A 1 -24.300 -8.763 -4.362 1.00 0.00 H new ATOM 0 H2 SER A 1 -25.211 -7.689 -5.311 1.00 0.00 H new ATOM 0 H3 SER A 1 -23.659 -7.248 -4.783 1.00 0.00 H new ATOM 0 HA SER A 1 -26.030 -7.712 -3.068 1.00 0.00 H new ATOM 0 HB2 SER A 1 -23.209 -6.779 -2.366 1.00 0.00 H new ATOM 0 HB3 SER A 1 -24.554 -6.838 -1.244 1.00 0.00 H new ATOM 0 HG SER A 1 -23.217 -8.729 -1.114 1.00 0.00 H new ATOM 11 N PRO A 2 -26.753 -5.384 -3.747 1.00 0.00 N ATOM 12 CA PRO A 2 -27.210 -4.010 -3.961 1.00 0.00 C ATOM 13 C PRO A 2 -26.543 -3.012 -3.019 1.00 0.00 C ATOM 14 O PRO A 2 -26.343 -3.297 -1.839 1.00 0.00 O ATOM 15 CB PRO A 2 -28.705 -4.099 -3.668 1.00 0.00 C ATOM 16 CG PRO A 2 -29.085 -5.486 -4.063 1.00 0.00 C ATOM 17 CD PRO A 2 -27.868 -6.349 -3.838 1.00 0.00 C ATOM 0 HA PRO A 2 -26.969 -3.651 -4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -28.914 -3.916 -2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -29.265 -3.357 -4.237 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -29.927 -5.841 -3.468 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -29.396 -5.520 -5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -27.960 -6.938 -2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -27.721 -7.052 -4.658 1.00 0.00 H new ATOM 25 N ALA A 3 -26.203 -1.842 -3.551 1.00 0.00 N ATOM 26 CA ALA A 3 -25.559 -0.801 -2.759 1.00 0.00 C ATOM 27 C ALA A 3 -26.292 0.528 -2.898 1.00 0.00 C ATOM 28 O ALA A 3 -26.008 1.314 -3.802 1.00 0.00 O ATOM 29 CB ALA A 3 -24.103 -0.649 -3.175 1.00 0.00 C ATOM 0 H ALA A 3 -26.363 -1.592 -4.527 1.00 0.00 H new ATOM 0 HA ALA A 3 -25.598 -1.099 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -23.633 0.131 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -23.579 -1.592 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -24.052 -0.377 -4.229 1.00 0.00 H new ATOM 35 N ALA A 4 -27.237 0.771 -1.996 1.00 0.00 N ATOM 36 CA ALA A 4 -28.009 2.007 -2.012 1.00 0.00 C ATOM 37 C ALA A 4 -27.451 3.007 -1.006 1.00 0.00 C ATOM 38 O ALA A 4 -27.422 4.211 -1.262 1.00 0.00 O ATOM 39 CB ALA A 4 -29.472 1.717 -1.716 1.00 0.00 C ATOM 0 H ALA A 4 -27.486 0.128 -1.245 1.00 0.00 H new ATOM 0 HA ALA A 4 -27.933 2.447 -3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -30.038 2.649 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -29.869 1.039 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -29.560 1.255 -0.733 1.00 0.00 H new ATOM 45 N MET A 5 -27.008 2.497 0.140 1.00 0.00 N ATOM 46 CA MET A 5 -26.447 3.340 1.190 1.00 0.00 C ATOM 47 C MET A 5 -24.945 3.113 1.321 1.00 0.00 C ATOM 48 O MET A 5 -24.259 3.832 2.047 1.00 0.00 O ATOM 49 CB MET A 5 -27.135 3.052 2.526 1.00 0.00 C ATOM 50 CG MET A 5 -28.641 3.261 2.496 1.00 0.00 C ATOM 51 SD MET A 5 -29.101 4.932 1.999 1.00 0.00 S ATOM 52 CE MET A 5 -30.887 4.832 2.091 1.00 0.00 C ATOM 0 H MET A 5 -27.027 1.502 0.365 1.00 0.00 H new ATOM 0 HA MET A 5 -26.619 4.381 0.918 1.00 0.00 H new ATOM 0 HB2 MET A 5 -26.926 2.023 2.818 1.00 0.00 H new ATOM 0 HB3 MET A 5 -26.703 3.695 3.293 1.00 0.00 H new ATOM 0 HG2 MET A 5 -29.090 2.545 1.807 1.00 0.00 H new ATOM 0 HG3 MET A 5 -29.052 3.054 3.484 1.00 0.00 H new ATOM 0 HE1 MET A 5 -31.320 5.792 1.811 1.00 0.00 H new ATOM 0 HE2 MET A 5 -31.244 4.060 1.409 1.00 0.00 H new ATOM 0 HE3 MET A 5 -31.185 4.582 3.109 1.00 0.00 H new ATOM 62 N GLU A 6 -24.442 2.107 0.612 1.00 0.00 N ATOM 63 CA GLU A 6 -23.022 1.778 0.646 1.00 0.00 C ATOM 64 C GLU A 6 -22.221 2.745 -0.234 1.00 0.00 C ATOM 65 O GLU A 6 -22.149 3.938 0.061 1.00 0.00 O ATOM 66 CB GLU A 6 -22.808 0.331 0.186 1.00 0.00 C ATOM 67 CG GLU A 6 -23.653 -0.687 0.942 1.00 0.00 C ATOM 68 CD GLU A 6 -23.294 -2.117 0.589 1.00 0.00 C ATOM 69 OE1 GLU A 6 -22.328 -2.649 1.173 1.00 0.00 O ATOM 70 OE2 GLU A 6 -23.982 -2.705 -0.273 1.00 0.00 O ATOM 0 H GLU A 6 -24.999 1.505 0.006 1.00 0.00 H new ATOM 0 HA GLU A 6 -22.666 1.878 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -23.036 0.260 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -21.755 0.074 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -23.523 -0.537 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -24.707 -0.515 0.721 1.00 0.00 H new ATOM 77 N ARG A 7 -21.631 2.225 -1.316 1.00 0.00 N ATOM 78 CA ARG A 7 -20.833 3.036 -2.240 1.00 0.00 C ATOM 79 C ARG A 7 -19.919 3.976 -1.481 1.00 0.00 C ATOM 80 O ARG A 7 -20.215 5.156 -1.287 1.00 0.00 O ATOM 81 CB ARG A 7 -21.719 3.834 -3.211 1.00 0.00 C ATOM 82 CG ARG A 7 -23.140 3.301 -3.388 1.00 0.00 C ATOM 83 CD ARG A 7 -24.129 4.055 -2.507 1.00 0.00 C ATOM 84 NE ARG A 7 -24.145 5.484 -2.807 1.00 0.00 N ATOM 85 CZ ARG A 7 -24.728 6.395 -2.033 1.00 0.00 C ATOM 86 NH1 ARG A 7 -25.345 6.027 -0.918 1.00 0.00 N ATOM 87 NH2 ARG A 7 -24.694 7.676 -2.374 1.00 0.00 N ATOM 0 H ARG A 7 -21.692 1.240 -1.574 1.00 0.00 H new ATOM 0 HA ARG A 7 -20.225 2.348 -2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -21.776 4.865 -2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -21.233 3.855 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -23.437 3.393 -4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -23.166 2.240 -3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -25.128 3.643 -2.648 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -23.868 3.907 -1.459 1.00 0.00 H new ATOM 0 HE ARG A 7 -23.683 5.802 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -25.373 5.043 -0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -25.791 6.728 -0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -24.220 7.963 -3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -25.141 8.374 -1.780 1.00 0.00 H new ATOM 101 N GLN A 8 -18.805 3.419 -1.063 1.00 0.00 N ATOM 102 CA GLN A 8 -17.794 4.158 -0.321 1.00 0.00 C ATOM 103 C GLN A 8 -16.744 4.738 -1.264 1.00 0.00 C ATOM 104 O GLN A 8 -16.075 4.002 -1.989 1.00 0.00 O ATOM 105 CB GLN A 8 -17.131 3.238 0.701 1.00 0.00 C ATOM 106 CG GLN A 8 -17.979 2.984 1.938 1.00 0.00 C ATOM 107 CD GLN A 8 -18.378 4.265 2.646 1.00 0.00 C ATOM 108 OE1 GLN A 8 -19.418 4.853 2.350 1.00 0.00 O ATOM 109 NE2 GLN A 8 -17.550 4.705 3.587 1.00 0.00 N ATOM 0 H GLN A 8 -18.569 2.440 -1.225 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.279 4.985 0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -16.905 2.284 0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -16.180 3.675 1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -18.877 2.437 1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -17.425 2.349 2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.698 4.186 3.800 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.766 5.562 4.096 1.00 0.00 H new ATOM 118 N VAL A 9 -16.604 6.060 -1.246 1.00 0.00 N ATOM 119 CA VAL A 9 -15.639 6.739 -2.102 1.00 0.00 C ATOM 120 C VAL A 9 -14.205 6.383 -1.699 1.00 0.00 C ATOM 121 O VAL A 9 -13.945 6.042 -0.545 1.00 0.00 O ATOM 122 CB VAL A 9 -15.843 8.275 -2.064 1.00 0.00 C ATOM 123 CG1 VAL A 9 -14.621 8.997 -1.511 1.00 0.00 C ATOM 124 CG2 VAL A 9 -16.202 8.802 -3.446 1.00 0.00 C ATOM 0 H VAL A 9 -17.147 6.682 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.806 6.397 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 9 -16.673 8.478 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.806 10.071 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -14.424 8.654 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.757 8.783 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -16.341 9.882 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.398 8.570 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -17.125 8.332 -3.786 1.00 0.00 H new ATOM 134 N PRO A 10 -13.259 6.455 -2.656 1.00 0.00 N ATOM 135 CA PRO A 10 -11.849 6.145 -2.405 1.00 0.00 C ATOM 136 C PRO A 10 -11.312 6.812 -1.146 1.00 0.00 C ATOM 137 O PRO A 10 -11.330 8.037 -1.023 1.00 0.00 O ATOM 138 CB PRO A 10 -11.139 6.700 -3.632 1.00 0.00 C ATOM 139 CG PRO A 10 -12.157 6.652 -4.721 1.00 0.00 C ATOM 140 CD PRO A 10 -13.497 6.845 -4.058 1.00 0.00 C ATOM 0 HA PRO A 10 -11.698 5.077 -2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.792 7.719 -3.460 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.262 6.103 -3.884 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.973 7.432 -5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.118 5.699 -5.248 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.835 7.879 -4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.265 6.224 -4.520 1.00 0.00 H new ATOM 148 N TYR A 11 -10.836 5.996 -0.214 1.00 0.00 N ATOM 149 CA TYR A 11 -10.288 6.495 1.036 1.00 0.00 C ATOM 150 C TYR A 11 -8.869 7.017 0.834 1.00 0.00 C ATOM 151 O TYR A 11 -8.145 6.549 -0.044 1.00 0.00 O ATOM 152 CB TYR A 11 -10.289 5.380 2.080 1.00 0.00 C ATOM 153 CG TYR A 11 -10.366 5.885 3.498 1.00 0.00 C ATOM 154 CD1 TYR A 11 -11.593 6.114 4.101 1.00 0.00 C ATOM 155 CD2 TYR A 11 -9.215 6.133 4.231 1.00 0.00 C ATOM 156 CE1 TYR A 11 -11.673 6.576 5.397 1.00 0.00 C ATOM 157 CE2 TYR A 11 -9.285 6.595 5.530 1.00 0.00 C ATOM 158 CZ TYR A 11 -10.517 6.816 6.110 1.00 0.00 C ATOM 159 OH TYR A 11 -10.592 7.277 7.404 1.00 0.00 O ATOM 0 H TYR A 11 -10.820 4.980 -0.303 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.911 7.319 1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.134 4.718 1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.384 4.783 1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.501 5.927 3.546 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.249 5.962 3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -12.637 6.749 5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.380 6.782 6.089 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.687 7.393 7.763 1.00 0.00 H new ATOM 169 N THR A 12 -8.481 7.989 1.654 1.00 0.00 N ATOM 170 CA THR A 12 -7.148 8.576 1.570 1.00 0.00 C ATOM 171 C THR A 12 -6.071 7.513 1.789 1.00 0.00 C ATOM 172 O THR A 12 -5.936 6.983 2.893 1.00 0.00 O ATOM 173 CB THR A 12 -6.965 9.699 2.610 1.00 0.00 C ATOM 174 OG1 THR A 12 -7.936 10.730 2.394 1.00 0.00 O ATOM 175 CG2 THR A 12 -5.566 10.293 2.530 1.00 0.00 C ATOM 0 H THR A 12 -9.071 8.387 2.385 1.00 0.00 H new ATOM 0 HA THR A 12 -7.045 8.997 0.570 1.00 0.00 H new ATOM 0 HB THR A 12 -7.104 9.268 3.602 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.814 11.439 3.060 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.463 11.083 3.274 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.828 9.514 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.403 10.708 1.535 1.00 0.00 H new ATOM 183 N PRO A 13 -5.291 7.184 0.739 1.00 0.00 N ATOM 184 CA PRO A 13 -4.226 6.176 0.828 1.00 0.00 C ATOM 185 C PRO A 13 -3.236 6.463 1.952 1.00 0.00 C ATOM 186 O PRO A 13 -3.336 7.483 2.634 1.00 0.00 O ATOM 187 CB PRO A 13 -3.531 6.265 -0.532 1.00 0.00 C ATOM 188 CG PRO A 13 -4.570 6.808 -1.447 1.00 0.00 C ATOM 189 CD PRO A 13 -5.384 7.758 -0.618 1.00 0.00 C ATOM 0 HA PRO A 13 -4.627 5.188 1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.659 6.918 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.182 5.287 -0.864 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.116 7.319 -2.296 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.192 6.009 -1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.983 8.771 -0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.417 7.811 -0.963 1.00 0.00 H new ATOM 197 N CYS A 14 -2.286 5.549 2.135 1.00 0.00 N ATOM 198 CA CYS A 14 -1.267 5.675 3.173 1.00 0.00 C ATOM 199 C CYS A 14 -0.782 7.115 3.310 1.00 0.00 C ATOM 200 O CYS A 14 -0.178 7.669 2.390 1.00 0.00 O ATOM 201 CB CYS A 14 -0.087 4.750 2.860 1.00 0.00 C ATOM 202 SG CYS A 14 0.611 4.970 1.194 1.00 0.00 S ATOM 0 H CYS A 14 -2.201 4.704 1.570 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.716 5.383 4.122 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.699 4.920 3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.411 3.715 2.972 1.00 0.00 H new ATOM 207 N SER A 15 -1.055 7.716 4.465 1.00 0.00 N ATOM 208 CA SER A 15 -0.642 9.089 4.728 1.00 0.00 C ATOM 209 C SER A 15 0.652 9.082 5.528 1.00 0.00 C ATOM 210 O SER A 15 0.695 8.599 6.660 1.00 0.00 O ATOM 211 CB SER A 15 -1.734 9.844 5.487 1.00 0.00 C ATOM 212 OG SER A 15 -2.025 9.215 6.723 1.00 0.00 O ATOM 0 H SER A 15 -1.560 7.273 5.232 1.00 0.00 H new ATOM 0 HA SER A 15 -0.476 9.599 3.779 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.414 10.871 5.665 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.637 9.892 4.879 1.00 0.00 H new ATOM 0 HG SER A 15 -1.205 8.826 7.093 1.00 0.00 H new ATOM 218 N GLY A 16 1.701 9.623 4.931 1.00 0.00 N ATOM 219 CA GLY A 16 2.990 9.633 5.562 1.00 0.00 C ATOM 220 C GLY A 16 4.082 10.153 4.647 1.00 0.00 C ATOM 221 O GLY A 16 3.820 10.911 3.712 1.00 0.00 O ATOM 0 H GLY A 16 1.675 10.059 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.947 10.251 6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.241 8.622 5.884 1.00 0.00 H new ATOM 225 N LEU A 17 5.313 9.733 4.929 1.00 0.00 N ATOM 226 CA LEU A 17 6.473 10.107 4.136 1.00 0.00 C ATOM 227 C LEU A 17 6.357 9.583 2.704 1.00 0.00 C ATOM 228 O LEU A 17 6.661 10.296 1.746 1.00 0.00 O ATOM 229 CB LEU A 17 7.739 9.540 4.802 1.00 0.00 C ATOM 230 CG LEU A 17 9.055 10.207 4.408 1.00 0.00 C ATOM 231 CD1 LEU A 17 9.445 9.845 2.981 1.00 0.00 C ATOM 232 CD2 LEU A 17 8.933 11.709 4.576 1.00 0.00 C ATOM 0 H LEU A 17 5.531 9.122 5.716 1.00 0.00 H new ATOM 0 HA LEU A 17 6.530 11.194 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.624 9.618 5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.807 8.478 4.565 1.00 0.00 H new ATOM 0 HG LEU A 17 9.846 9.842 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.386 10.333 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.563 8.765 2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.666 10.178 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.873 12.184 4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.132 12.083 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.706 11.942 5.616 1.00 0.00 H new ATOM 244 N TYR A 18 5.903 8.341 2.563 1.00 0.00 N ATOM 245 CA TYR A 18 5.784 7.715 1.247 1.00 0.00 C ATOM 246 C TYR A 18 4.548 8.198 0.493 1.00 0.00 C ATOM 247 O TYR A 18 4.583 8.409 -0.720 1.00 0.00 O ATOM 248 CB TYR A 18 5.721 6.203 1.438 1.00 0.00 C ATOM 249 CG TYR A 18 6.128 5.753 2.825 1.00 0.00 C ATOM 250 CD1 TYR A 18 7.467 5.682 3.184 1.00 0.00 C ATOM 251 CD2 TYR A 18 5.172 5.406 3.778 1.00 0.00 C ATOM 252 CE1 TYR A 18 7.848 5.280 4.448 1.00 0.00 C ATOM 253 CE2 TYR A 18 5.547 5.002 5.046 1.00 0.00 C ATOM 254 CZ TYR A 18 6.886 4.939 5.375 1.00 0.00 C ATOM 255 OH TYR A 18 7.263 4.539 6.637 1.00 0.00 O ATOM 0 H TYR A 18 5.612 7.748 3.340 1.00 0.00 H new ATOM 0 HA TYR A 18 6.651 7.993 0.648 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.706 5.861 1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.370 5.725 0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.224 5.946 2.461 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.124 5.453 3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.895 5.233 4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.796 4.737 5.775 1.00 0.00 H new ATOM 0 HH TYR A 18 6.465 4.335 7.168 1.00 0.00 H new ATOM 265 N GLY A 19 3.476 8.381 1.235 1.00 0.00 N ATOM 266 CA GLY A 19 2.228 8.901 0.690 1.00 0.00 C ATOM 267 C GLY A 19 1.628 8.089 -0.455 1.00 0.00 C ATOM 268 O GLY A 19 0.497 8.359 -0.861 1.00 0.00 O ATOM 0 H GLY A 19 3.440 8.175 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.495 8.959 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.399 9.919 0.341 1.00 0.00 H new ATOM 272 N THR A 20 2.354 7.101 -0.984 1.00 0.00 N ATOM 273 CA THR A 20 1.837 6.316 -2.104 1.00 0.00 C ATOM 274 C THR A 20 1.549 4.869 -1.720 1.00 0.00 C ATOM 275 O THR A 20 2.432 4.143 -1.264 1.00 0.00 O ATOM 276 CB THR A 20 2.804 6.329 -3.298 1.00 0.00 C ATOM 277 OG1 THR A 20 3.053 7.677 -3.715 1.00 0.00 O ATOM 278 CG2 THR A 20 2.224 5.533 -4.455 1.00 0.00 C ATOM 0 H THR A 20 3.283 6.830 -0.662 1.00 0.00 H new ATOM 0 HA THR A 20 0.899 6.793 -2.388 1.00 0.00 H new ATOM 0 HB THR A 20 3.743 5.871 -2.989 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.672 7.675 -4.475 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.920 5.551 -5.294 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.060 4.502 -4.141 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.275 5.974 -4.761 1.00 0.00 H new ATOM 286 N ALA A 21 0.302 4.457 -1.932 1.00 0.00 N ATOM 287 CA ALA A 21 -0.129 3.100 -1.620 1.00 0.00 C ATOM 288 C ALA A 21 0.113 2.162 -2.800 1.00 0.00 C ATOM 289 O ALA A 21 -0.445 2.353 -3.881 1.00 0.00 O ATOM 290 CB ALA A 21 -1.602 3.094 -1.235 1.00 0.00 C ATOM 0 H ALA A 21 -0.431 5.049 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 21 0.461 2.741 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.914 2.075 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.752 3.727 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.197 3.476 -2.065 1.00 0.00 H new ATOM 296 N GLN A 22 0.948 1.148 -2.585 1.00 0.00 N ATOM 297 CA GLN A 22 1.267 0.179 -3.631 1.00 0.00 C ATOM 298 C GLN A 22 1.499 -1.208 -3.035 1.00 0.00 C ATOM 299 O GLN A 22 1.626 -1.358 -1.820 1.00 0.00 O ATOM 300 CB GLN A 22 2.512 0.627 -4.402 1.00 0.00 C ATOM 301 CG GLN A 22 2.324 1.927 -5.168 1.00 0.00 C ATOM 302 CD GLN A 22 1.478 1.752 -6.414 1.00 0.00 C ATOM 303 OE1 GLN A 22 1.504 0.701 -7.052 1.00 0.00 O ATOM 304 NE2 GLN A 22 0.719 2.783 -6.766 1.00 0.00 N ATOM 0 H GLN A 22 1.416 0.976 -1.695 1.00 0.00 H new ATOM 0 HA GLN A 22 0.420 0.125 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.339 0.745 -3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.797 -0.159 -5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.856 2.664 -4.516 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.300 2.324 -5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.728 3.637 -6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.127 2.721 -7.594 1.00 0.00 H new ATOM 313 N CYS A 23 1.548 -2.220 -3.899 1.00 0.00 N ATOM 314 CA CYS A 23 1.775 -3.594 -3.460 1.00 0.00 C ATOM 315 C CYS A 23 3.074 -4.125 -4.053 1.00 0.00 C ATOM 316 O CYS A 23 3.182 -4.305 -5.266 1.00 0.00 O ATOM 317 CB CYS A 23 0.610 -4.496 -3.875 1.00 0.00 C ATOM 318 SG CYS A 23 -1.023 -3.940 -3.286 1.00 0.00 S ATOM 0 H CYS A 23 1.433 -2.114 -4.907 1.00 0.00 H new ATOM 0 HA CYS A 23 1.847 -3.598 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.587 -4.561 -4.963 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.794 -5.502 -3.499 1.00 0.00 H new ATOM 323 N CYS A 24 4.058 -4.374 -3.196 1.00 0.00 N ATOM 324 CA CYS A 24 5.351 -4.874 -3.652 1.00 0.00 C ATOM 325 C CYS A 24 5.844 -6.018 -2.771 1.00 0.00 C ATOM 326 O CYS A 24 5.447 -6.143 -1.613 1.00 0.00 O ATOM 327 CB CYS A 24 6.379 -3.740 -3.661 1.00 0.00 C ATOM 328 SG CYS A 24 7.420 -3.689 -5.156 1.00 0.00 S ATOM 0 H CYS A 24 3.987 -4.239 -2.187 1.00 0.00 H new ATOM 0 HA CYS A 24 5.226 -5.256 -4.665 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.855 -2.789 -3.564 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.022 -3.841 -2.787 1.00 0.00 H new ATOM 333 N ALA A 25 6.713 -6.851 -3.336 1.00 0.00 N ATOM 334 CA ALA A 25 7.274 -7.989 -2.620 1.00 0.00 C ATOM 335 C ALA A 25 8.419 -7.548 -1.719 1.00 0.00 C ATOM 336 O ALA A 25 8.924 -6.432 -1.844 1.00 0.00 O ATOM 337 CB ALA A 25 7.748 -9.046 -3.605 1.00 0.00 C ATOM 0 H ALA A 25 7.045 -6.756 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 25 6.495 -8.420 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.165 -9.892 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.906 -9.384 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.513 -8.621 -4.255 1.00 0.00 H new ATOM 343 N THR A 26 8.826 -8.428 -0.813 1.00 0.00 N ATOM 344 CA THR A 26 9.910 -8.116 0.112 1.00 0.00 C ATOM 345 C THR A 26 10.957 -9.228 0.160 1.00 0.00 C ATOM 346 O THR A 26 10.674 -10.377 -0.178 1.00 0.00 O ATOM 347 CB THR A 26 9.382 -7.861 1.535 1.00 0.00 C ATOM 348 OG1 THR A 26 10.411 -7.273 2.335 1.00 0.00 O ATOM 349 CG2 THR A 26 8.915 -9.154 2.185 1.00 0.00 C ATOM 0 H THR A 26 8.425 -9.359 -0.698 1.00 0.00 H new ATOM 0 HA THR A 26 10.380 -7.207 -0.265 1.00 0.00 H new ATOM 0 HB THR A 26 8.533 -7.181 1.465 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.062 -6.473 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.547 -8.944 3.189 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.114 -9.592 1.589 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.749 -9.854 2.243 1.00 0.00 H new ATOM 357 N ASP A 27 12.169 -8.870 0.585 1.00 0.00 N ATOM 358 CA ASP A 27 13.268 -9.826 0.674 1.00 0.00 C ATOM 359 C ASP A 27 13.194 -10.634 1.965 1.00 0.00 C ATOM 360 O ASP A 27 12.199 -10.582 2.689 1.00 0.00 O ATOM 361 CB ASP A 27 14.610 -9.096 0.590 1.00 0.00 C ATOM 362 CG ASP A 27 15.041 -8.517 1.923 1.00 0.00 C ATOM 363 OD1 ASP A 27 14.313 -7.656 2.456 1.00 0.00 O ATOM 364 OD2 ASP A 27 16.104 -8.927 2.433 1.00 0.00 O ATOM 0 H ASP A 27 12.413 -7.922 0.873 1.00 0.00 H new ATOM 0 HA ASP A 27 13.181 -10.517 -0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.374 -9.787 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.538 -8.294 -0.145 1.00 0.00 H new ATOM 369 N VAL A 28 14.258 -11.375 2.243 1.00 0.00 N ATOM 370 CA VAL A 28 14.329 -12.210 3.435 1.00 0.00 C ATOM 371 C VAL A 28 14.262 -11.396 4.728 1.00 0.00 C ATOM 372 O VAL A 28 13.522 -11.747 5.648 1.00 0.00 O ATOM 373 CB VAL A 28 15.609 -13.063 3.442 1.00 0.00 C ATOM 374 CG1 VAL A 28 15.489 -14.179 2.422 1.00 0.00 C ATOM 375 CG2 VAL A 28 16.836 -12.209 3.165 1.00 0.00 C ATOM 0 H VAL A 28 15.090 -11.415 1.654 1.00 0.00 H new ATOM 0 HA VAL A 28 13.455 -12.861 3.397 1.00 0.00 H new ATOM 0 HB VAL A 28 15.729 -13.502 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 28 16.398 -14.780 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.635 -14.809 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.347 -13.751 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.727 -12.837 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.737 -11.736 2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.925 -11.440 3.933 1.00 0.00 H new ATOM 385 N LEU A 29 15.030 -10.312 4.797 1.00 0.00 N ATOM 386 CA LEU A 29 15.062 -9.476 5.992 1.00 0.00 C ATOM 387 C LEU A 29 13.844 -8.555 6.069 1.00 0.00 C ATOM 388 O LEU A 29 13.503 -8.057 7.143 1.00 0.00 O ATOM 389 CB LEU A 29 16.353 -8.662 6.018 1.00 0.00 C ATOM 390 CG LEU A 29 17.619 -9.482 5.784 1.00 0.00 C ATOM 391 CD1 LEU A 29 18.821 -8.567 5.624 1.00 0.00 C ATOM 392 CD2 LEU A 29 17.833 -10.457 6.931 1.00 0.00 C ATOM 0 H LEU A 29 15.637 -9.993 4.042 1.00 0.00 H new ATOM 0 HA LEU A 29 15.030 -10.129 6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.293 -7.884 5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.433 -8.160 6.982 1.00 0.00 H new ATOM 0 HG LEU A 29 17.501 -10.054 4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 29 19.716 -9.167 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.664 -7.906 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.947 -7.970 6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.739 -11.036 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.934 -9.904 7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.979 -11.131 6.999 1.00 0.00 H new ATOM 404 N GLY A 30 13.193 -8.329 4.930 1.00 0.00 N ATOM 405 CA GLY A 30 12.012 -7.479 4.907 1.00 0.00 C ATOM 406 C GLY A 30 12.237 -6.144 4.215 1.00 0.00 C ATOM 407 O GLY A 30 11.277 -5.447 3.886 1.00 0.00 O ATOM 0 H GLY A 30 13.460 -8.717 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.203 -8.008 4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.685 -7.298 5.931 1.00 0.00 H new ATOM 411 N VAL A 31 13.497 -5.772 4.004 1.00 0.00 N ATOM 412 CA VAL A 31 13.813 -4.512 3.344 1.00 0.00 C ATOM 413 C VAL A 31 14.193 -4.735 1.883 1.00 0.00 C ATOM 414 O VAL A 31 15.275 -5.244 1.588 1.00 0.00 O ATOM 415 CB VAL A 31 14.965 -3.778 4.057 1.00 0.00 C ATOM 416 CG1 VAL A 31 15.244 -2.439 3.390 1.00 0.00 C ATOM 417 CG2 VAL A 31 14.642 -3.590 5.532 1.00 0.00 C ATOM 0 H VAL A 31 14.310 -6.323 4.279 1.00 0.00 H new ATOM 0 HA VAL A 31 12.915 -3.896 3.392 1.00 0.00 H new ATOM 0 HB VAL A 31 15.864 -4.389 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.061 -1.937 3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.522 -2.602 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.350 -1.817 3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.466 -3.070 6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.730 -3.001 5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.499 -4.564 6.000 1.00 0.00 H new ATOM 427 N ALA A 32 13.300 -4.339 0.976 1.00 0.00 N ATOM 428 CA ALA A 32 13.535 -4.483 -0.458 1.00 0.00 C ATOM 429 C ALA A 32 12.334 -4.004 -1.266 1.00 0.00 C ATOM 430 O ALA A 32 11.257 -3.763 -0.720 1.00 0.00 O ATOM 431 CB ALA A 32 13.847 -5.930 -0.809 1.00 0.00 C ATOM 0 H ALA A 32 12.403 -3.914 1.212 1.00 0.00 H new ATOM 0 HA ALA A 32 14.393 -3.862 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.019 -6.015 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.740 -6.250 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.006 -6.563 -0.525 1.00 0.00 H new ATOM 437 N ASP A 33 12.534 -3.868 -2.572 1.00 0.00 N ATOM 438 CA ASP A 33 11.477 -3.434 -3.478 1.00 0.00 C ATOM 439 C ASP A 33 11.463 -4.324 -4.717 1.00 0.00 C ATOM 440 O ASP A 33 12.142 -4.043 -5.705 1.00 0.00 O ATOM 441 CB ASP A 33 11.683 -1.967 -3.872 1.00 0.00 C ATOM 442 CG ASP A 33 10.632 -1.473 -4.847 1.00 0.00 C ATOM 443 OD1 ASP A 33 10.789 -1.713 -6.062 1.00 0.00 O ATOM 444 OD2 ASP A 33 9.653 -0.843 -4.394 1.00 0.00 O ATOM 0 H ASP A 33 13.426 -4.054 -3.030 1.00 0.00 H new ATOM 0 HA ASP A 33 10.516 -3.520 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.662 -1.347 -2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.671 -1.849 -4.318 1.00 0.00 H new ATOM 449 N LEU A 34 10.684 -5.401 -4.653 1.00 0.00 N ATOM 450 CA LEU A 34 10.601 -6.356 -5.754 1.00 0.00 C ATOM 451 C LEU A 34 9.187 -6.444 -6.315 1.00 0.00 C ATOM 452 O LEU A 34 8.218 -6.511 -5.565 1.00 0.00 O ATOM 453 CB LEU A 34 11.040 -7.733 -5.264 1.00 0.00 C ATOM 454 CG LEU A 34 12.089 -7.700 -4.155 1.00 0.00 C ATOM 455 CD1 LEU A 34 12.196 -9.051 -3.468 1.00 0.00 C ATOM 456 CD2 LEU A 34 13.433 -7.276 -4.720 1.00 0.00 C ATOM 0 H LEU A 34 10.101 -5.634 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 34 11.259 -6.011 -6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.165 -8.274 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.438 -8.296 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 34 11.778 -6.970 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.950 -9.001 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.233 -9.314 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.482 -9.809 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.174 -7.256 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.746 -7.985 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.346 -6.282 -5.159 1.00 0.00 H new ATOM 468 N ASP A 35 9.082 -6.455 -7.638 1.00 0.00 N ATOM 469 CA ASP A 35 7.787 -6.549 -8.306 1.00 0.00 C ATOM 470 C ASP A 35 6.814 -5.495 -7.783 1.00 0.00 C ATOM 471 O ASP A 35 6.003 -5.770 -6.898 1.00 0.00 O ATOM 472 CB ASP A 35 7.192 -7.946 -8.112 1.00 0.00 C ATOM 473 CG ASP A 35 8.046 -9.030 -8.740 1.00 0.00 C ATOM 474 OD1 ASP A 35 7.837 -9.332 -9.934 1.00 0.00 O ATOM 475 OD2 ASP A 35 8.922 -9.576 -8.038 1.00 0.00 O ATOM 0 H ASP A 35 9.879 -6.400 -8.272 1.00 0.00 H new ATOM 0 HA ASP A 35 7.947 -6.368 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.081 -8.146 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.193 -7.976 -8.547 1.00 0.00 H new ATOM 480 N CYS A 36 6.899 -4.289 -8.336 1.00 0.00 N ATOM 481 CA CYS A 36 6.020 -3.199 -7.928 1.00 0.00 C ATOM 482 C CYS A 36 5.010 -2.875 -9.026 1.00 0.00 C ATOM 483 O CYS A 36 5.366 -2.781 -10.201 1.00 0.00 O ATOM 484 CB CYS A 36 6.838 -1.952 -7.587 1.00 0.00 C ATOM 485 SG CYS A 36 7.231 -1.777 -5.815 1.00 0.00 S ATOM 0 H CYS A 36 7.567 -4.042 -9.067 1.00 0.00 H new ATOM 0 HA CYS A 36 5.475 -3.519 -7.040 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.769 -1.976 -8.153 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.288 -1.070 -7.915 1.00 0.00 H new ATOM 490 N ALA A 37 3.750 -2.703 -8.634 1.00 0.00 N ATOM 491 CA ALA A 37 2.688 -2.395 -9.585 1.00 0.00 C ATOM 492 C ALA A 37 1.498 -1.746 -8.890 1.00 0.00 C ATOM 493 O ALA A 37 1.372 -1.807 -7.666 1.00 0.00 O ATOM 494 CB ALA A 37 2.249 -3.658 -10.307 1.00 0.00 C ATOM 0 H ALA A 37 3.441 -2.772 -7.664 1.00 0.00 H new ATOM 0 HA ALA A 37 3.081 -1.686 -10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.456 -3.416 -11.014 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.097 -4.083 -10.844 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.879 -4.382 -9.581 1.00 0.00 H new ATOM 500 N ASN A 38 0.621 -1.133 -9.681 1.00 0.00 N ATOM 501 CA ASN A 38 -0.562 -0.467 -9.146 1.00 0.00 C ATOM 502 C ASN A 38 -1.462 -1.461 -8.409 1.00 0.00 C ATOM 503 O ASN A 38 -1.699 -2.566 -8.897 1.00 0.00 O ATOM 504 CB ASN A 38 -1.344 0.208 -10.274 1.00 0.00 C ATOM 505 CG ASN A 38 -0.534 1.282 -10.976 1.00 0.00 C ATOM 506 OD1 ASN A 38 -0.579 2.453 -10.600 1.00 0.00 O ATOM 507 ND2 ASN A 38 0.215 0.889 -12.002 1.00 0.00 N ATOM 0 H ASN A 38 0.708 -1.084 -10.696 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.233 0.291 -8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.652 -0.544 -11.000 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.254 0.650 -9.868 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.781 1.569 -12.510 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.223 -0.092 -12.281 1.00 0.00 H new ATOM 514 N PRO A 39 -1.977 -1.081 -7.222 1.00 0.00 N ATOM 515 CA PRO A 39 -2.847 -1.940 -6.426 1.00 0.00 C ATOM 516 C PRO A 39 -4.324 -1.746 -6.768 1.00 0.00 C ATOM 517 O PRO A 39 -4.903 -0.706 -6.455 1.00 0.00 O ATOM 518 CB PRO A 39 -2.558 -1.453 -5.010 1.00 0.00 C ATOM 519 CG PRO A 39 -2.300 0.010 -5.161 1.00 0.00 C ATOM 520 CD PRO A 39 -1.752 0.218 -6.555 1.00 0.00 C ATOM 0 HA PRO A 39 -2.662 -3.002 -6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.402 -1.640 -4.346 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.696 -1.966 -4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.218 0.581 -5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.589 0.356 -4.411 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.269 1.027 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.694 0.478 -6.534 1.00 0.00 H new ATOM 528 N PRO A 40 -4.963 -2.740 -7.418 1.00 0.00 N ATOM 529 CA PRO A 40 -6.367 -2.643 -7.793 1.00 0.00 C ATOM 530 C PRO A 40 -7.303 -3.200 -6.724 1.00 0.00 C ATOM 531 O PRO A 40 -7.306 -4.402 -6.453 1.00 0.00 O ATOM 532 CB PRO A 40 -6.411 -3.515 -9.042 1.00 0.00 C ATOM 533 CG PRO A 40 -5.410 -4.601 -8.779 1.00 0.00 C ATOM 534 CD PRO A 40 -4.380 -4.027 -7.833 1.00 0.00 C ATOM 0 HA PRO A 40 -6.697 -1.614 -7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.408 -3.925 -9.205 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.152 -2.944 -9.934 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.893 -5.474 -8.341 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.942 -4.928 -9.707 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.211 -4.683 -6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.417 -3.890 -8.325 1.00 0.00 H new ATOM 542 N ALA A 41 -8.100 -2.319 -6.125 1.00 0.00 N ATOM 543 CA ALA A 41 -9.060 -2.719 -5.102 1.00 0.00 C ATOM 544 C ALA A 41 -9.914 -1.534 -4.669 1.00 0.00 C ATOM 545 O ALA A 41 -9.781 -0.432 -5.202 1.00 0.00 O ATOM 546 CB ALA A 41 -8.343 -3.318 -3.903 1.00 0.00 C ATOM 0 H ALA A 41 -8.099 -1.320 -6.332 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.716 -3.477 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.075 -3.611 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.777 -4.194 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.663 -2.579 -3.480 1.00 0.00 H new ATOM 552 N THR A 42 -10.791 -1.769 -3.700 1.00 0.00 N ATOM 553 CA THR A 42 -11.636 -0.718 -3.163 1.00 0.00 C ATOM 554 C THR A 42 -11.175 -0.374 -1.751 1.00 0.00 C ATOM 555 O THR A 42 -11.661 -0.942 -0.774 1.00 0.00 O ATOM 556 CB THR A 42 -13.109 -1.150 -3.125 1.00 0.00 C ATOM 557 OG1 THR A 42 -13.526 -1.591 -4.423 1.00 0.00 O ATOM 558 CG2 THR A 42 -13.986 0.003 -2.671 1.00 0.00 C ATOM 0 H THR A 42 -10.933 -2.683 -3.271 1.00 0.00 H new ATOM 0 HA THR A 42 -11.552 0.154 -3.812 1.00 0.00 H new ATOM 0 HB THR A 42 -13.211 -1.972 -2.417 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.466 -1.866 -4.389 1.00 0.00 H new ATOM 0 HG21 THR A 42 -15.027 -0.319 -2.649 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.683 0.320 -1.673 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.878 0.837 -3.365 1.00 0.00 H new ATOM 566 N LEU A 43 -10.235 0.562 -1.652 1.00 0.00 N ATOM 567 CA LEU A 43 -9.691 0.959 -0.355 1.00 0.00 C ATOM 568 C LEU A 43 -10.751 1.631 0.509 1.00 0.00 C ATOM 569 O LEU A 43 -11.313 2.660 0.133 1.00 0.00 O ATOM 570 CB LEU A 43 -8.490 1.898 -0.524 1.00 0.00 C ATOM 571 CG LEU A 43 -7.435 1.456 -1.548 1.00 0.00 C ATOM 572 CD1 LEU A 43 -6.157 2.262 -1.376 1.00 0.00 C ATOM 573 CD2 LEU A 43 -7.146 -0.035 -1.428 1.00 0.00 C ATOM 0 H LEU A 43 -9.835 1.058 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.359 0.050 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.860 2.882 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.003 2.013 0.445 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.833 1.643 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.420 1.936 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.372 3.320 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.762 2.108 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.395 -0.321 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.774 -0.254 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.062 -0.599 -1.606 1.00 0.00 H new ATOM 585 N ALA A 44 -11.016 1.040 1.670 1.00 0.00 N ATOM 586 CA ALA A 44 -12.000 1.584 2.596 1.00 0.00 C ATOM 587 C ALA A 44 -11.342 1.983 3.912 1.00 0.00 C ATOM 588 O ALA A 44 -11.665 3.023 4.487 1.00 0.00 O ATOM 589 CB ALA A 44 -13.111 0.577 2.841 1.00 0.00 C ATOM 0 H ALA A 44 -10.562 0.185 1.991 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.434 2.478 2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.838 0.999 3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.604 0.342 1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.689 -0.334 3.266 1.00 0.00 H new ATOM 595 N ASN A 45 -10.413 1.151 4.381 1.00 0.00 N ATOM 596 CA ASN A 45 -9.702 1.421 5.626 1.00 0.00 C ATOM 597 C ASN A 45 -8.312 0.788 5.610 1.00 0.00 C ATOM 598 O ASN A 45 -7.843 0.325 4.570 1.00 0.00 O ATOM 599 CB ASN A 45 -10.497 0.897 6.824 1.00 0.00 C ATOM 600 CG ASN A 45 -11.866 1.540 6.942 1.00 0.00 C ATOM 601 OD1 ASN A 45 -12.023 2.578 7.585 1.00 0.00 O ATOM 602 ND2 ASN A 45 -12.866 0.925 6.321 1.00 0.00 N ATOM 0 H ASN A 45 -10.137 0.286 3.917 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.591 2.501 5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.614 -0.183 6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.933 1.081 7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.809 1.311 6.366 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.691 0.066 5.799 1.00 0.00 H new ATOM 609 N ALA A 46 -7.658 0.773 6.769 1.00 0.00 N ATOM 610 CA ALA A 46 -6.321 0.200 6.889 1.00 0.00 C ATOM 611 C ALA A 46 -6.327 -1.296 6.590 1.00 0.00 C ATOM 612 O ALA A 46 -5.506 -1.786 5.813 1.00 0.00 O ATOM 613 CB ALA A 46 -5.758 0.456 8.280 1.00 0.00 C ATOM 0 H ALA A 46 -8.033 1.152 7.639 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.683 0.687 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.761 0.023 8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.701 1.530 8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.408 -0.001 9.026 1.00 0.00 H new ATOM 619 N THR A 47 -7.258 -2.015 7.206 1.00 0.00 N ATOM 620 CA THR A 47 -7.370 -3.450 7.013 1.00 0.00 C ATOM 621 C THR A 47 -7.791 -3.769 5.586 1.00 0.00 C ATOM 622 O THR A 47 -7.267 -4.697 4.967 1.00 0.00 O ATOM 623 CB THR A 47 -8.381 -4.055 8.002 1.00 0.00 C ATOM 624 OG1 THR A 47 -7.869 -3.975 9.337 1.00 0.00 O ATOM 625 CG2 THR A 47 -8.687 -5.501 7.657 1.00 0.00 C ATOM 0 H THR A 47 -7.948 -1.622 7.846 1.00 0.00 H new ATOM 0 HA THR A 47 -6.390 -3.890 7.198 1.00 0.00 H new ATOM 0 HB THR A 47 -9.306 -3.482 7.932 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.519 -4.361 9.960 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.404 -5.902 8.373 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.108 -5.554 6.653 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.769 -6.087 7.697 1.00 0.00 H new ATOM 633 N HIS A 48 -8.739 -2.997 5.069 1.00 0.00 N ATOM 634 CA HIS A 48 -9.215 -3.189 3.709 1.00 0.00 C ATOM 635 C HIS A 48 -8.058 -3.015 2.734 1.00 0.00 C ATOM 636 O HIS A 48 -8.006 -3.663 1.689 1.00 0.00 O ATOM 637 CB HIS A 48 -10.329 -2.193 3.393 1.00 0.00 C ATOM 638 CG HIS A 48 -11.279 -2.667 2.337 1.00 0.00 C ATOM 639 ND1 HIS A 48 -12.649 -2.559 2.454 1.00 0.00 N ATOM 640 CD2 HIS A 48 -11.052 -3.251 1.136 1.00 0.00 C ATOM 641 CE1 HIS A 48 -13.222 -3.057 1.373 1.00 0.00 C ATOM 642 NE2 HIS A 48 -12.276 -3.483 0.558 1.00 0.00 N ATOM 0 H HIS A 48 -9.191 -2.234 5.572 1.00 0.00 H new ATOM 0 HA HIS A 48 -9.617 -4.197 3.610 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.888 -1.985 4.305 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.883 -1.252 3.072 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.088 -3.490 0.712 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.285 -3.107 1.188 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.429 -3.915 -0.353 1.00 0.00 H new ATOM 651 N PHE A 49 -7.129 -2.132 3.092 1.00 0.00 N ATOM 652 CA PHE A 49 -5.956 -1.880 2.267 1.00 0.00 C ATOM 653 C PHE A 49 -5.046 -3.103 2.273 1.00 0.00 C ATOM 654 O PHE A 49 -4.459 -3.457 1.251 1.00 0.00 O ATOM 655 CB PHE A 49 -5.194 -0.647 2.774 1.00 0.00 C ATOM 656 CG PHE A 49 -3.911 -0.383 2.032 1.00 0.00 C ATOM 657 CD1 PHE A 49 -3.855 -0.487 0.650 1.00 0.00 C ATOM 658 CD2 PHE A 49 -2.759 -0.038 2.721 1.00 0.00 C ATOM 659 CE1 PHE A 49 -2.674 -0.253 -0.028 1.00 0.00 C ATOM 660 CE2 PHE A 49 -1.576 0.195 2.048 1.00 0.00 C ATOM 661 CZ PHE A 49 -1.533 0.087 0.672 1.00 0.00 C ATOM 0 H PHE A 49 -7.168 -1.580 3.949 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.282 -1.684 1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.839 0.228 2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.971 -0.778 3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.744 -0.754 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.787 0.050 3.797 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.643 -0.336 -1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.685 0.461 2.597 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.608 0.268 0.144 1.00 0.00 H new ATOM 671 N GLU A 50 -4.929 -3.743 3.434 1.00 0.00 N ATOM 672 CA GLU A 50 -4.107 -4.940 3.561 1.00 0.00 C ATOM 673 C GLU A 50 -4.661 -6.043 2.667 1.00 0.00 C ATOM 674 O GLU A 50 -3.911 -6.814 2.068 1.00 0.00 O ATOM 675 CB GLU A 50 -4.074 -5.412 5.018 1.00 0.00 C ATOM 676 CG GLU A 50 -3.354 -6.738 5.214 1.00 0.00 C ATOM 677 CD GLU A 50 -3.428 -7.235 6.645 1.00 0.00 C ATOM 678 OE1 GLU A 50 -4.497 -7.744 7.042 1.00 0.00 O ATOM 679 OE2 GLU A 50 -2.416 -7.116 7.368 1.00 0.00 O ATOM 0 H GLU A 50 -5.391 -3.453 4.296 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.090 -4.703 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.587 -4.650 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.097 -5.506 5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.789 -7.485 4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.309 -6.626 4.926 1.00 0.00 H new ATOM 686 N SER A 51 -5.986 -6.105 2.589 1.00 0.00 N ATOM 687 CA SER A 51 -6.676 -7.084 1.790 1.00 0.00 C ATOM 688 C SER A 51 -6.489 -6.824 0.295 1.00 0.00 C ATOM 689 O SER A 51 -6.797 -7.680 -0.534 1.00 0.00 O ATOM 690 CB SER A 51 -8.158 -7.030 2.156 1.00 0.00 C ATOM 691 OG SER A 51 -8.355 -7.316 3.530 1.00 0.00 O ATOM 0 H SER A 51 -6.607 -5.467 3.087 1.00 0.00 H new ATOM 0 HA SER A 51 -6.264 -8.072 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.557 -6.042 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.712 -7.746 1.549 1.00 0.00 H new ATOM 0 HG SER A 51 -8.045 -6.559 4.069 1.00 0.00 H new ATOM 697 N THR A 52 -5.988 -5.639 -0.043 1.00 0.00 N ATOM 698 CA THR A 52 -5.766 -5.273 -1.439 1.00 0.00 C ATOM 699 C THR A 52 -4.541 -5.976 -2.011 1.00 0.00 C ATOM 700 O THR A 52 -4.578 -6.500 -3.125 1.00 0.00 O ATOM 701 CB THR A 52 -5.587 -3.750 -1.599 1.00 0.00 C ATOM 702 OG1 THR A 52 -6.807 -3.076 -1.271 1.00 0.00 O ATOM 703 CG2 THR A 52 -5.168 -3.394 -3.020 1.00 0.00 C ATOM 0 H THR A 52 -5.728 -4.917 0.629 1.00 0.00 H new ATOM 0 HA THR A 52 -6.652 -5.591 -1.989 1.00 0.00 H new ATOM 0 HB THR A 52 -4.800 -3.428 -0.918 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.074 -3.309 -0.357 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.049 -2.314 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.222 -3.883 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.933 -3.731 -3.720 1.00 0.00 H new ATOM 711 N CYS A 53 -3.459 -5.984 -1.244 1.00 0.00 N ATOM 712 CA CYS A 53 -2.221 -6.615 -1.681 1.00 0.00 C ATOM 713 C CYS A 53 -2.231 -8.106 -1.373 1.00 0.00 C ATOM 714 O CYS A 53 -1.562 -8.887 -2.044 1.00 0.00 O ATOM 715 CB CYS A 53 -1.018 -5.951 -1.010 1.00 0.00 C ATOM 716 SG CYS A 53 -0.919 -4.151 -1.272 1.00 0.00 S ATOM 0 H CYS A 53 -3.413 -5.561 -0.317 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.141 -6.487 -2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.058 -6.150 0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.105 -6.413 -1.386 1.00 0.00 H new ATOM 721 N ALA A 54 -3.006 -8.497 -0.366 1.00 0.00 N ATOM 722 CA ALA A 54 -3.099 -9.893 0.030 1.00 0.00 C ATOM 723 C ALA A 54 -3.948 -10.658 -0.968 1.00 0.00 C ATOM 724 O ALA A 54 -3.880 -11.884 -1.065 1.00 0.00 O ATOM 725 CB ALA A 54 -3.688 -10.002 1.425 1.00 0.00 C ATOM 0 H ALA A 54 -3.579 -7.863 0.190 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.099 -10.327 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.753 -11.052 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.050 -9.472 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.685 -9.561 1.435 1.00 0.00 H new ATOM 731 N ALA A 55 -4.748 -9.906 -1.705 1.00 0.00 N ATOM 732 CA ALA A 55 -5.638 -10.458 -2.706 1.00 0.00 C ATOM 733 C ALA A 55 -4.876 -11.102 -3.861 1.00 0.00 C ATOM 734 O ALA A 55 -5.283 -12.143 -4.378 1.00 0.00 O ATOM 735 CB ALA A 55 -6.542 -9.359 -3.223 1.00 0.00 C ATOM 0 H ALA A 55 -4.797 -8.890 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.231 -11.244 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.215 -9.766 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.126 -8.950 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.937 -8.568 -3.666 1.00 0.00 H new ATOM 741 N ILE A 56 -3.771 -10.480 -4.262 1.00 0.00 N ATOM 742 CA ILE A 56 -2.974 -10.987 -5.376 1.00 0.00 C ATOM 743 C ILE A 56 -1.728 -11.751 -4.919 1.00 0.00 C ATOM 744 O ILE A 56 -0.968 -12.251 -5.749 1.00 0.00 O ATOM 745 CB ILE A 56 -2.563 -9.850 -6.333 1.00 0.00 C ATOM 746 CG1 ILE A 56 -2.140 -8.606 -5.543 1.00 0.00 C ATOM 747 CG2 ILE A 56 -3.714 -9.527 -7.278 1.00 0.00 C ATOM 748 CD1 ILE A 56 -1.800 -7.412 -6.413 1.00 0.00 C ATOM 0 H ILE A 56 -3.408 -9.628 -3.835 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.616 -11.691 -5.905 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.708 -10.178 -6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.945 -8.329 -4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.274 -8.854 -4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.417 -8.723 -7.951 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.966 -10.413 -7.860 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.583 -9.213 -6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.510 -6.572 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.974 -7.669 -7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.671 -7.135 -7.008 1.00 0.00 H new ATOM 760 N GLY A 57 -1.515 -11.843 -3.608 1.00 0.00 N ATOM 761 CA GLY A 57 -0.364 -12.580 -3.100 1.00 0.00 C ATOM 762 C GLY A 57 0.790 -11.694 -2.656 1.00 0.00 C ATOM 763 O GLY A 57 1.952 -12.025 -2.894 1.00 0.00 O ATOM 0 H GLY A 57 -2.111 -11.426 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.682 -13.195 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.010 -13.260 -3.875 1.00 0.00 H new ATOM 767 N GLN A 58 0.479 -10.574 -2.011 1.00 0.00 N ATOM 768 CA GLN A 58 1.507 -9.655 -1.527 1.00 0.00 C ATOM 769 C GLN A 58 1.037 -8.924 -0.272 1.00 0.00 C ATOM 770 O GLN A 58 -0.055 -9.181 0.235 1.00 0.00 O ATOM 771 CB GLN A 58 1.879 -8.640 -2.610 1.00 0.00 C ATOM 772 CG GLN A 58 2.842 -9.189 -3.658 1.00 0.00 C ATOM 773 CD GLN A 58 3.059 -8.227 -4.809 1.00 0.00 C ATOM 774 OE1 GLN A 58 3.978 -7.409 -4.784 1.00 0.00 O ATOM 775 NE2 GLN A 58 2.207 -8.316 -5.823 1.00 0.00 N ATOM 0 H GLN A 58 -0.477 -10.280 -1.811 1.00 0.00 H new ATOM 0 HA GLN A 58 2.389 -10.245 -1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.970 -8.302 -3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.329 -7.766 -2.138 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.800 -9.408 -3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.454 -10.131 -4.045 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.459 -9.010 -5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.300 -7.691 -6.624 1.00 0.00 H new ATOM 784 N ARG A 59 1.872 -8.016 0.226 1.00 0.00 N ATOM 785 CA ARG A 59 1.541 -7.248 1.425 1.00 0.00 C ATOM 786 C ARG A 59 1.486 -5.753 1.115 1.00 0.00 C ATOM 787 O ARG A 59 2.119 -5.281 0.170 1.00 0.00 O ATOM 788 CB ARG A 59 2.575 -7.513 2.526 1.00 0.00 C ATOM 789 CG ARG A 59 3.058 -8.956 2.591 1.00 0.00 C ATOM 790 CD ARG A 59 4.244 -9.100 3.529 1.00 0.00 C ATOM 791 NE ARG A 59 4.823 -10.440 3.480 1.00 0.00 N ATOM 792 CZ ARG A 59 5.976 -10.767 4.056 1.00 0.00 C ATOM 793 NH1 ARG A 59 6.673 -9.855 4.721 1.00 0.00 N ATOM 794 NH2 ARG A 59 6.435 -12.008 3.966 1.00 0.00 N ATOM 0 H ARG A 59 2.781 -7.794 -0.180 1.00 0.00 H new ATOM 0 HA ARG A 59 0.558 -7.567 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.434 -6.860 2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.142 -7.242 3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.245 -9.599 2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.338 -9.293 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.006 -8.366 3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.928 -8.879 4.549 1.00 0.00 H new ATOM 0 HE ARG A 59 4.314 -11.166 2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.325 -8.899 4.792 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.557 -10.110 5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.903 -12.713 3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.320 -12.258 4.408 1.00 0.00 H new ATOM 808 N ALA A 60 0.723 -5.013 1.918 1.00 0.00 N ATOM 809 CA ALA A 60 0.580 -3.573 1.731 1.00 0.00 C ATOM 810 C ALA A 60 1.867 -2.839 2.088 1.00 0.00 C ATOM 811 O ALA A 60 2.304 -2.859 3.239 1.00 0.00 O ATOM 812 CB ALA A 60 -0.577 -3.052 2.569 1.00 0.00 C ATOM 0 H ALA A 60 0.194 -5.389 2.705 1.00 0.00 H new ATOM 0 HA ALA A 60 0.371 -3.385 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.676 -1.976 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.499 -3.546 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.386 -3.259 3.622 1.00 0.00 H new ATOM 818 N ARG A 61 2.467 -2.187 1.094 1.00 0.00 N ATOM 819 CA ARG A 61 3.706 -1.445 1.308 1.00 0.00 C ATOM 820 C ARG A 61 3.634 -0.062 0.667 1.00 0.00 C ATOM 821 O ARG A 61 3.484 0.066 -0.548 1.00 0.00 O ATOM 822 CB ARG A 61 4.904 -2.213 0.740 1.00 0.00 C ATOM 823 CG ARG A 61 4.893 -3.698 1.067 1.00 0.00 C ATOM 824 CD ARG A 61 5.209 -3.952 2.532 1.00 0.00 C ATOM 825 NE ARG A 61 6.551 -3.497 2.888 1.00 0.00 N ATOM 826 CZ ARG A 61 7.111 -3.705 4.076 1.00 0.00 C ATOM 827 NH1 ARG A 61 6.448 -4.357 5.022 1.00 0.00 N ATOM 828 NH2 ARG A 61 8.337 -3.261 4.318 1.00 0.00 N ATOM 0 H ARG A 61 2.116 -2.158 0.137 1.00 0.00 H new ATOM 0 HA ARG A 61 3.837 -1.327 2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.923 -2.089 -0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.823 -1.772 1.127 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.915 -4.116 0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.622 -4.214 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.475 -3.441 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.119 -5.018 2.743 1.00 0.00 H new ATOM 0 HE ARG A 61 7.089 -2.991 2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.505 -4.701 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.881 -4.515 5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.850 -2.760 3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.767 -3.421 5.229 1.00 0.00 H new ATOM 842 N CYS A 62 3.744 0.967 1.497 1.00 0.00 N ATOM 843 CA CYS A 62 3.706 2.348 1.027 1.00 0.00 C ATOM 844 C CYS A 62 5.136 2.840 0.800 1.00 0.00 C ATOM 845 O CYS A 62 5.883 3.048 1.756 1.00 0.00 O ATOM 846 CB CYS A 62 2.975 3.232 2.052 1.00 0.00 C ATOM 847 SG CYS A 62 2.623 4.930 1.483 1.00 0.00 S ATOM 0 H CYS A 62 3.861 0.871 2.506 1.00 0.00 H new ATOM 0 HA CYS A 62 3.161 2.404 0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.034 2.751 2.320 1.00 0.00 H new ATOM 0 HB3 CYS A 62 3.576 3.285 2.960 1.00 0.00 H new ATOM 852 N CYS A 63 5.522 3.008 -0.466 1.00 0.00 N ATOM 853 CA CYS A 63 6.881 3.440 -0.796 1.00 0.00 C ATOM 854 C CYS A 63 6.938 4.895 -1.252 1.00 0.00 C ATOM 855 O CYS A 63 6.019 5.402 -1.895 1.00 0.00 O ATOM 856 CB CYS A 63 7.479 2.534 -1.873 1.00 0.00 C ATOM 857 SG CYS A 63 7.931 0.874 -1.272 1.00 0.00 S ATOM 0 H CYS A 63 4.918 2.853 -1.274 1.00 0.00 H new ATOM 0 HA CYS A 63 7.469 3.362 0.119 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.762 2.432 -2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.366 3.014 -2.287 1.00 0.00 H new ATOM 862 N VAL A 64 8.042 5.553 -0.902 1.00 0.00 N ATOM 863 CA VAL A 64 8.270 6.952 -1.251 1.00 0.00 C ATOM 864 C VAL A 64 9.093 7.053 -2.531 1.00 0.00 C ATOM 865 O VAL A 64 9.947 6.208 -2.800 1.00 0.00 O ATOM 866 CB VAL A 64 8.967 7.714 -0.087 1.00 0.00 C ATOM 867 CG1 VAL A 64 9.859 6.797 0.715 1.00 0.00 C ATOM 868 CG2 VAL A 64 9.770 8.902 -0.572 1.00 0.00 C ATOM 0 H VAL A 64 8.802 5.131 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 64 7.301 7.421 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 64 8.166 8.085 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.331 7.361 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.263 5.989 1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.628 6.379 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.236 9.398 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.543 8.562 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.110 9.602 -1.084 1.00 0.00 H new ATOM 878 N LEU A 65 8.823 8.093 -3.313 1.00 0.00 N ATOM 879 CA LEU A 65 9.518 8.311 -4.579 1.00 0.00 C ATOM 880 C LEU A 65 11.035 8.209 -4.407 1.00 0.00 C ATOM 881 O LEU A 65 11.594 8.756 -3.456 1.00 0.00 O ATOM 882 CB LEU A 65 9.151 9.679 -5.154 1.00 0.00 C ATOM 883 CG LEU A 65 7.959 9.677 -6.113 1.00 0.00 C ATOM 884 CD1 LEU A 65 7.473 11.095 -6.359 1.00 0.00 C ATOM 885 CD2 LEU A 65 8.328 9.008 -7.430 1.00 0.00 C ATOM 0 H LEU A 65 8.124 8.802 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 65 9.202 7.531 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.933 10.357 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.019 10.082 -5.677 1.00 0.00 H new ATOM 0 HG LEU A 65 7.152 9.107 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.625 11.075 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.167 11.544 -5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.278 11.685 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.466 9.018 -8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.152 9.549 -7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.630 7.978 -7.243 1.00 0.00 H new ATOM 897 N PRO A 66 11.724 7.506 -5.333 1.00 0.00 N ATOM 898 CA PRO A 66 13.181 7.334 -5.272 1.00 0.00 C ATOM 899 C PRO A 66 13.928 8.658 -5.374 1.00 0.00 C ATOM 900 O PRO A 66 13.597 9.507 -6.200 1.00 0.00 O ATOM 901 CB PRO A 66 13.502 6.457 -6.490 1.00 0.00 C ATOM 902 CG PRO A 66 12.204 5.826 -6.868 1.00 0.00 C ATOM 903 CD PRO A 66 11.146 6.826 -6.506 1.00 0.00 C ATOM 0 HA PRO A 66 13.489 6.897 -4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.904 7.053 -7.310 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.251 5.703 -6.247 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.176 5.595 -7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.055 4.887 -6.334 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.952 7.522 -7.322 1.00 0.00 H new ATOM 0 HD3 PRO A 66 10.198 6.343 -6.267 1.00 0.00 H new ATOM 911 N ILE A 67 14.942 8.819 -4.531 1.00 0.00 N ATOM 912 CA ILE A 67 15.748 10.032 -4.521 1.00 0.00 C ATOM 913 C ILE A 67 17.232 9.685 -4.570 1.00 0.00 C ATOM 914 O ILE A 67 17.793 9.173 -3.601 1.00 0.00 O ATOM 915 CB ILE A 67 15.465 10.891 -3.273 1.00 0.00 C ATOM 916 CG1 ILE A 67 13.977 11.251 -3.187 1.00 0.00 C ATOM 917 CG2 ILE A 67 16.325 12.147 -3.284 1.00 0.00 C ATOM 918 CD1 ILE A 67 13.469 12.045 -4.371 1.00 0.00 C ATOM 0 H ILE A 67 15.225 8.121 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 67 15.477 10.609 -5.405 1.00 0.00 H new ATOM 0 HB ILE A 67 15.723 10.307 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.396 10.333 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.804 11.824 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 67 16.112 12.742 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 67 17.378 11.867 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.101 12.733 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.409 12.261 -4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.023 12.981 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.608 11.466 -5.284 1.00 0.00 H new ATOM 930 N LEU A 68 17.857 9.961 -5.710 1.00 0.00 N ATOM 931 CA LEU A 68 19.277 9.673 -5.904 1.00 0.00 C ATOM 932 C LEU A 68 20.113 10.232 -4.753 1.00 0.00 C ATOM 933 O LEU A 68 20.275 11.446 -4.626 1.00 0.00 O ATOM 934 CB LEU A 68 19.761 10.270 -7.235 1.00 0.00 C ATOM 935 CG LEU A 68 19.393 9.495 -8.511 1.00 0.00 C ATOM 936 CD1 LEU A 68 20.453 8.453 -8.833 1.00 0.00 C ATOM 937 CD2 LEU A 68 18.033 8.837 -8.377 1.00 0.00 C ATOM 0 H LEU A 68 17.402 10.386 -6.518 1.00 0.00 H new ATOM 0 HA LEU A 68 19.402 8.590 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 68 19.359 11.280 -7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 68 20.846 10.361 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 68 19.347 10.210 -9.332 1.00 0.00 H new ATOM 0 HD11 LEU A 68 20.172 7.917 -9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 68 21.413 8.946 -8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 68 20.534 7.749 -8.005 1.00 0.00 H new ATOM 0 HD21 LEU A 68 17.799 8.296 -9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.047 8.141 -7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 68 17.275 9.601 -8.202 1.00 0.00 H new ATOM 949 N GLY A 69 20.644 9.339 -3.918 1.00 0.00 N ATOM 950 CA GLY A 69 21.460 9.768 -2.794 1.00 0.00 C ATOM 951 C GLY A 69 21.017 9.158 -1.476 1.00 0.00 C ATOM 952 O GLY A 69 21.729 9.250 -0.476 1.00 0.00 O ATOM 0 H GLY A 69 20.524 8.329 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 69 22.499 9.499 -2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 69 21.421 10.855 -2.717 1.00 0.00 H new ATOM 956 N GLN A 70 19.843 8.533 -1.472 1.00 0.00 N ATOM 957 CA GLN A 70 19.312 7.912 -0.263 1.00 0.00 C ATOM 958 C GLN A 70 18.736 6.538 -0.553 1.00 0.00 C ATOM 959 O GLN A 70 18.543 6.152 -1.706 1.00 0.00 O ATOM 960 CB GLN A 70 18.229 8.796 0.358 1.00 0.00 C ATOM 961 CG GLN A 70 16.935 8.817 -0.444 1.00 0.00 C ATOM 962 CD GLN A 70 15.939 9.839 0.070 1.00 0.00 C ATOM 963 OE1 GLN A 70 16.442 10.963 0.567 1.00 0.00 O flip ATOM 964 NE2 GLN A 70 14.728 9.624 0.010 1.00 0.00 N flip ATOM 0 H GLN A 70 19.242 8.443 -2.291 1.00 0.00 H new ATOM 0 HA GLN A 70 20.139 7.800 0.438 1.00 0.00 H new ATOM 0 HB2 GLN A 70 18.017 8.444 1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.609 9.814 0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 70 17.164 9.033 -1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.480 7.827 -0.416 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.385 8.746 -0.380 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.068 10.324 0.350 1.00 0.00 H new ATOM 973 N ASP A 71 18.467 5.813 0.517 1.00 0.00 N ATOM 974 CA ASP A 71 17.901 4.472 0.422 1.00 0.00 C ATOM 975 C ASP A 71 16.392 4.548 0.217 1.00 0.00 C ATOM 976 O ASP A 71 15.789 5.606 0.390 1.00 0.00 O ATOM 977 CB ASP A 71 18.220 3.675 1.690 1.00 0.00 C ATOM 978 CG ASP A 71 17.751 2.236 1.601 1.00 0.00 C ATOM 979 OD1 ASP A 71 18.511 1.395 1.076 1.00 0.00 O ATOM 980 OD2 ASP A 71 16.624 1.950 2.057 1.00 0.00 O ATOM 0 H ASP A 71 18.632 6.131 1.472 1.00 0.00 H new ATOM 0 HA ASP A 71 18.345 3.965 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.295 3.694 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.748 4.156 2.547 1.00 0.00 H new ATOM 985 N ILE A 72 15.785 3.423 -0.152 1.00 0.00 N ATOM 986 CA ILE A 72 14.346 3.378 -0.375 1.00 0.00 C ATOM 987 C ILE A 72 13.598 3.184 0.944 1.00 0.00 C ATOM 988 O ILE A 72 13.862 2.241 1.691 1.00 0.00 O ATOM 989 CB ILE A 72 13.960 2.261 -1.379 1.00 0.00 C ATOM 990 CG1 ILE A 72 12.500 2.419 -1.809 1.00 0.00 C ATOM 991 CG2 ILE A 72 14.194 0.876 -0.787 1.00 0.00 C ATOM 992 CD1 ILE A 72 12.087 1.469 -2.913 1.00 0.00 C ATOM 0 H ILE A 72 16.266 2.536 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 72 14.053 4.335 -0.807 1.00 0.00 H new ATOM 0 HB ILE A 72 14.601 2.360 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.856 2.260 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.337 3.444 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.913 0.116 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 72 15.248 0.763 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.589 0.757 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.040 1.638 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.706 1.643 -3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.217 0.441 -2.576 1.00 0.00 H new ATOM 1004 N LEU A 73 12.675 4.098 1.237 1.00 0.00 N ATOM 1005 CA LEU A 73 11.901 4.034 2.470 1.00 0.00 C ATOM 1006 C LEU A 73 10.534 3.389 2.233 1.00 0.00 C ATOM 1007 O LEU A 73 9.667 3.965 1.580 1.00 0.00 O ATOM 1008 CB LEU A 73 11.736 5.443 3.063 1.00 0.00 C ATOM 1009 CG LEU A 73 12.965 5.998 3.798 1.00 0.00 C ATOM 1010 CD1 LEU A 73 13.398 5.062 4.916 1.00 0.00 C ATOM 1011 CD2 LEU A 73 14.112 6.235 2.826 1.00 0.00 C ATOM 0 H LEU A 73 12.447 4.890 0.636 1.00 0.00 H new ATOM 0 HA LEU A 73 12.444 3.411 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.475 6.129 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.895 5.431 3.756 1.00 0.00 H new ATOM 0 HG LEU A 73 12.688 6.954 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.270 5.477 5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.584 4.949 5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.651 4.088 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.972 6.628 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.383 5.294 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.803 6.953 2.066 1.00 0.00 H new ATOM 1023 N CYS A 74 10.354 2.183 2.767 1.00 0.00 N ATOM 1024 CA CYS A 74 9.093 1.457 2.622 1.00 0.00 C ATOM 1025 C CYS A 74 8.742 0.724 3.918 1.00 0.00 C ATOM 1026 O CYS A 74 9.578 0.011 4.476 1.00 0.00 O ATOM 1027 CB CYS A 74 9.183 0.457 1.467 1.00 0.00 C ATOM 1028 SG CYS A 74 9.587 1.208 -0.144 1.00 0.00 S ATOM 0 H CYS A 74 11.065 1.687 3.304 1.00 0.00 H new ATOM 0 HA CYS A 74 8.307 2.180 2.404 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.940 -0.290 1.707 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.232 -0.069 1.382 1.00 0.00 H new ATOM 1033 N GLN A 75 7.501 0.888 4.387 1.00 0.00 N ATOM 1034 CA GLN A 75 7.056 0.245 5.628 1.00 0.00 C ATOM 1035 C GLN A 75 5.538 0.056 5.630 1.00 0.00 C ATOM 1036 O GLN A 75 4.821 0.708 4.871 1.00 0.00 O ATOM 1037 CB GLN A 75 7.463 1.071 6.862 1.00 0.00 C ATOM 1038 CG GLN A 75 8.962 1.351 6.973 1.00 0.00 C ATOM 1039 CD GLN A 75 9.323 2.109 8.237 1.00 0.00 C ATOM 1040 OE1 GLN A 75 8.414 2.960 8.703 1.00 0.00 O flip ATOM 1041 NE2 GLN A 75 10.411 1.937 8.786 1.00 0.00 N flip ATOM 0 H GLN A 75 6.790 1.458 3.929 1.00 0.00 H new ATOM 0 HA GLN A 75 7.542 -0.729 5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.930 2.021 6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.137 0.544 7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.507 0.407 6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 75 9.286 1.925 6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.080 1.274 8.395 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.643 2.458 9.632 1.00 0.00 H new ATOM 1050 N THR A 76 5.057 -0.841 6.491 1.00 0.00 N ATOM 1051 CA THR A 76 3.629 -1.117 6.602 1.00 0.00 C ATOM 1052 C THR A 76 3.019 -0.396 7.810 1.00 0.00 C ATOM 1053 O THR A 76 3.473 -0.585 8.939 1.00 0.00 O ATOM 1054 CB THR A 76 3.373 -2.629 6.739 1.00 0.00 C ATOM 1055 OG1 THR A 76 3.948 -3.325 5.627 1.00 0.00 O ATOM 1056 CG2 THR A 76 1.885 -2.926 6.811 1.00 0.00 C ATOM 0 H THR A 76 5.640 -1.390 7.123 1.00 0.00 H new ATOM 0 HA THR A 76 3.157 -0.750 5.691 1.00 0.00 H new ATOM 0 HB THR A 76 3.839 -2.969 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.337 -3.280 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.733 -4.001 6.907 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.454 -2.420 7.675 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.399 -2.571 5.902 1.00 0.00 H new ATOM 1064 N PRO A 77 1.980 0.439 7.594 1.00 0.00 N ATOM 1065 CA PRO A 77 1.318 1.177 8.681 1.00 0.00 C ATOM 1066 C PRO A 77 0.567 0.261 9.643 1.00 0.00 C ATOM 1067 O PRO A 77 -0.060 -0.713 9.225 1.00 0.00 O ATOM 1068 CB PRO A 77 0.331 2.088 7.943 1.00 0.00 C ATOM 1069 CG PRO A 77 0.069 1.385 6.659 1.00 0.00 C ATOM 1070 CD PRO A 77 1.373 0.746 6.285 1.00 0.00 C ATOM 0 HA PRO A 77 2.039 1.710 9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.587 2.226 8.515 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.754 3.078 7.775 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.717 0.638 6.773 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.263 2.082 5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.225 -0.154 5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.998 1.419 5.698 1.00 0.00 H new ATOM 1078 N ALA A 78 0.642 0.583 10.933 1.00 0.00 N ATOM 1079 CA ALA A 78 -0.035 -0.193 11.971 1.00 0.00 C ATOM 1080 C ALA A 78 0.493 -1.623 12.054 1.00 0.00 C ATOM 1081 O ALA A 78 0.003 -2.427 12.847 1.00 0.00 O ATOM 1082 CB ALA A 78 -1.538 -0.198 11.733 1.00 0.00 C ATOM 0 H ALA A 78 1.169 1.382 11.286 1.00 0.00 H new ATOM 0 HA ALA A 78 0.175 0.288 12.926 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.028 -0.780 12.514 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.913 0.825 11.753 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.751 -0.643 10.761 1.00 0.00 H new ATOM 1088 N GLY A 79 1.492 -1.936 11.234 1.00 0.00 N ATOM 1089 CA GLY A 79 2.066 -3.264 11.239 1.00 0.00 C ATOM 1090 C GLY A 79 1.119 -4.304 10.680 1.00 0.00 C ATOM 1091 O GLY A 79 1.094 -5.444 11.143 1.00 0.00 O ATOM 0 H GLY A 79 1.913 -1.290 10.566 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.985 -3.262 10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.338 -3.535 12.259 1.00 0.00 H new ATOM 1095 N LEU A 80 0.335 -3.905 9.683 1.00 0.00 N ATOM 1096 CA LEU A 80 -0.624 -4.806 9.049 1.00 0.00 C ATOM 1097 C LEU A 80 0.052 -6.100 8.606 1.00 0.00 C ATOM 1098 O LEU A 80 -0.050 -7.102 9.344 1.00 0.00 O ATOM 1099 CB LEU A 80 -1.277 -4.125 7.847 1.00 0.00 C ATOM 1100 CG LEU A 80 -2.245 -2.996 8.187 1.00 0.00 C ATOM 1101 CD1 LEU A 80 -2.466 -2.105 6.980 1.00 0.00 C ATOM 1102 CD2 LEU A 80 -3.564 -3.571 8.673 1.00 0.00 C ATOM 1103 OXT LEU A 80 0.679 -6.101 7.525 1.00 0.00 O ATOM 0 H LEU A 80 0.345 -2.962 9.295 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.392 -5.051 9.783 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.492 -3.728 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.812 -4.879 7.269 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.812 -2.391 8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.159 -1.305 7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.515 -1.674 6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.883 -2.695 6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.249 -2.758 8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.000 -4.193 7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.391 -4.175 9.564 1.00 0.00 H new TER 1115 LEU A 80