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= 0.443 USER MOD Set 1.2: A 75 GLN : amide:sc= 0.492 K(o=0.94,f=0.24) USER MOD Single : A 1 SER N :NH3+ -131:sc= -2.27! (180deg=-5.36!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -165:sc= -0.142 (180deg=-0.559) USER MOD Single : A 8 GLN : amide:sc= -1.58! C(o=-1.6!,f=-6.3!) 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 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -4.09 K(o=-4.1,f=-12!) USER MOD Single : A 26 THR OG1 : rot 93:sc= -1.35 USER MOD Single : A 38 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.28) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.52 K(o=-0.52,f=-2.1) USER MOD Single : A 51 SER OG : rot 73:sc= 0.0771 USER MOD Single : A 52 THR OG1 : rot 58:sc= 0.379 USER MOD Single : A 58 GLN : amide:sc= -0.306 K(o=-0.31,f=-5.1!) USER MOD Single : A 70 GLN : amide:sc= -2.42 K(o=-2.4,f=-1.4) USER MOD Single : A 76 THR OG1 : rot -74:sc= 0.453 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.192 26.088 -1.047 1.00 0.00 N ATOM 2 CA SER A 1 -11.374 24.897 -1.396 1.00 0.00 C ATOM 3 C SER A 1 -12.110 23.588 -1.078 1.00 0.00 C ATOM 4 O SER A 1 -12.247 22.737 -1.958 1.00 0.00 O ATOM 5 CB SER A 1 -10.028 24.942 -0.664 1.00 0.00 C ATOM 6 OG SER A 1 -9.284 26.092 -1.032 1.00 0.00 O ATOM 0 H1 SER A 1 -12.202 26.750 -1.849 1.00 0.00 H new ATOM 0 H2 SER A 1 -13.165 25.790 -0.832 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.783 26.559 -0.215 1.00 0.00 H new ATOM 0 HA SER A 1 -11.197 24.923 -2.471 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.196 24.943 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.454 24.045 -0.896 1.00 0.00 H new ATOM 0 HG SER A 1 -8.431 26.098 -0.550 1.00 0.00 H new ATOM 11 N PRO A 2 -12.594 23.391 0.172 1.00 0.00 N ATOM 12 CA PRO A 2 -13.308 22.162 0.545 1.00 0.00 C ATOM 13 C PRO A 2 -14.540 21.921 -0.320 1.00 0.00 C ATOM 14 O PRO A 2 -15.460 22.740 -0.349 1.00 0.00 O ATOM 15 CB PRO A 2 -13.718 22.394 2.005 1.00 0.00 C ATOM 16 CG PRO A 2 -13.588 23.864 2.223 1.00 0.00 C ATOM 17 CD PRO A 2 -12.487 24.318 1.312 1.00 0.00 C ATOM 0 HA PRO A 2 -12.682 21.281 0.406 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.740 22.059 2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.075 21.837 2.687 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.522 24.377 1.993 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.350 24.085 3.264 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.621 25.355 1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.512 24.253 1.794 1.00 0.00 H new ATOM 25 N ALA A 3 -14.551 20.793 -1.022 1.00 0.00 N ATOM 26 CA ALA A 3 -15.669 20.438 -1.889 1.00 0.00 C ATOM 27 C ALA A 3 -16.148 19.018 -1.607 1.00 0.00 C ATOM 28 O ALA A 3 -15.644 18.056 -2.189 1.00 0.00 O ATOM 29 CB ALA A 3 -15.272 20.585 -3.350 1.00 0.00 C ATOM 0 H ALA A 3 -13.796 20.107 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 3 -16.493 21.121 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.116 20.317 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -14.984 21.618 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.431 19.926 -3.567 1.00 0.00 H new ATOM 35 N ALA A 4 -17.121 18.894 -0.710 1.00 0.00 N ATOM 36 CA ALA A 4 -17.665 17.591 -0.348 1.00 0.00 C ATOM 37 C ALA A 4 -18.908 17.266 -1.169 1.00 0.00 C ATOM 38 O ALA A 4 -19.293 16.103 -1.295 1.00 0.00 O ATOM 39 CB ALA A 4 -17.984 17.549 1.138 1.00 0.00 C ATOM 0 H ALA A 4 -17.549 19.680 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.911 16.835 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -18.390 16.571 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -17.074 17.727 1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -18.718 18.320 1.375 1.00 0.00 H new ATOM 45 N MET A 5 -19.536 18.300 -1.721 1.00 0.00 N ATOM 46 CA MET A 5 -20.735 18.121 -2.532 1.00 0.00 C ATOM 47 C MET A 5 -20.436 18.428 -3.995 1.00 0.00 C ATOM 48 O MET A 5 -20.977 17.796 -4.901 1.00 0.00 O ATOM 49 CB MET A 5 -21.862 19.021 -2.015 1.00 0.00 C ATOM 50 CG MET A 5 -21.880 20.418 -2.619 1.00 0.00 C ATOM 51 SD MET A 5 -23.079 21.506 -1.823 1.00 0.00 S ATOM 52 CE MET A 5 -24.593 20.577 -2.058 1.00 0.00 C ATOM 0 H MET A 5 -19.235 19.269 -1.621 1.00 0.00 H new ATOM 0 HA MET A 5 -21.057 17.082 -2.457 1.00 0.00 H new ATOM 0 HB2 MET A 5 -22.818 18.538 -2.218 1.00 0.00 H new ATOM 0 HB3 MET A 5 -21.773 19.108 -0.932 1.00 0.00 H new ATOM 0 HG2 MET A 5 -20.886 20.858 -2.537 1.00 0.00 H new ATOM 0 HG3 MET A 5 -22.110 20.347 -3.682 1.00 0.00 H new ATOM 0 HE1 MET A 5 -25.450 21.223 -1.866 1.00 0.00 H new ATOM 0 HE2 MET A 5 -24.639 20.209 -3.083 1.00 0.00 H new ATOM 0 HE3 MET A 5 -24.613 19.733 -1.368 1.00 0.00 H new ATOM 62 N GLU A 6 -19.567 19.409 -4.206 1.00 0.00 N ATOM 63 CA GLU A 6 -19.176 19.819 -5.550 1.00 0.00 C ATOM 64 C GLU A 6 -18.217 18.805 -6.170 1.00 0.00 C ATOM 65 O GLU A 6 -18.092 17.681 -5.684 1.00 0.00 O ATOM 66 CB GLU A 6 -18.527 21.203 -5.508 1.00 0.00 C ATOM 67 CG GLU A 6 -19.284 22.200 -4.646 1.00 0.00 C ATOM 68 CD GLU A 6 -18.809 23.626 -4.846 1.00 0.00 C ATOM 69 OE1 GLU A 6 -17.877 24.048 -4.129 1.00 0.00 O ATOM 70 OE2 GLU A 6 -19.369 24.321 -5.721 1.00 0.00 O ATOM 0 H GLU A 6 -19.117 19.938 -3.459 1.00 0.00 H new ATOM 0 HA GLU A 6 -20.071 19.865 -6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.509 21.107 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.455 21.593 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.348 22.140 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.170 21.927 -3.597 1.00 0.00 H new ATOM 77 N ARG A 7 -17.549 19.208 -7.250 1.00 0.00 N ATOM 78 CA ARG A 7 -16.601 18.338 -7.938 1.00 0.00 C ATOM 79 C ARG A 7 -15.612 17.713 -6.957 1.00 0.00 C ATOM 80 O ARG A 7 -14.874 18.416 -6.266 1.00 0.00 O ATOM 81 CB ARG A 7 -15.840 19.120 -9.020 1.00 0.00 C ATOM 82 CG ARG A 7 -15.206 20.409 -8.516 1.00 0.00 C ATOM 83 CD ARG A 7 -16.144 21.597 -8.668 1.00 0.00 C ATOM 84 NE ARG A 7 -16.326 21.975 -10.067 1.00 0.00 N ATOM 85 CZ ARG A 7 -16.932 23.093 -10.454 1.00 0.00 C ATOM 86 NH1 ARG A 7 -17.422 23.932 -9.551 1.00 0.00 N ATOM 87 NH2 ARG A 7 -17.048 23.373 -11.745 1.00 0.00 N ATOM 0 H ARG A 7 -17.648 20.134 -7.667 1.00 0.00 H new ATOM 0 HA ARG A 7 -17.169 17.537 -8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.061 18.481 -9.436 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.526 19.357 -9.833 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -14.933 20.294 -7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -14.285 20.600 -9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.112 21.353 -8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -15.747 22.446 -8.112 1.00 0.00 H new ATOM 0 HE ARG A 7 -15.968 21.347 -10.787 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.334 23.720 -8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -17.887 24.789 -9.850 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -16.672 22.730 -12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -17.513 24.231 -12.041 1.00 0.00 H new ATOM 101 N GLN A 8 -15.614 16.384 -6.899 1.00 0.00 N ATOM 102 CA GLN A 8 -14.716 15.653 -6.007 1.00 0.00 C ATOM 103 C GLN A 8 -13.261 16.010 -6.289 1.00 0.00 C ATOM 104 O GLN A 8 -12.900 16.335 -7.419 1.00 0.00 O ATOM 105 CB GLN A 8 -14.920 14.144 -6.168 1.00 0.00 C ATOM 106 CG GLN A 8 -14.460 13.314 -4.973 1.00 0.00 C ATOM 107 CD GLN A 8 -15.279 13.563 -3.718 1.00 0.00 C ATOM 108 OE1 GLN A 8 -15.789 14.660 -3.495 1.00 0.00 O ATOM 109 NE2 GLN A 8 -15.410 12.534 -2.888 1.00 0.00 N ATOM 0 H GLN A 8 -16.227 15.791 -7.458 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.951 15.939 -4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.978 13.950 -6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.382 13.810 -7.055 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.516 12.256 -5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.413 13.537 -4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.971 11.641 -3.110 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.950 12.637 -2.029 1.00 0.00 H new ATOM 118 N VAL A 9 -12.432 15.943 -5.253 1.00 0.00 N ATOM 119 CA VAL A 9 -11.018 16.262 -5.383 1.00 0.00 C ATOM 120 C VAL A 9 -10.166 14.991 -5.455 1.00 0.00 C ATOM 121 O VAL A 9 -10.569 13.938 -4.962 1.00 0.00 O ATOM 122 CB VAL A 9 -10.552 17.156 -4.207 1.00 0.00 C ATOM 123 CG1 VAL A 9 -9.409 16.522 -3.422 1.00 0.00 C ATOM 124 CG2 VAL A 9 -10.158 18.535 -4.713 1.00 0.00 C ATOM 0 H VAL A 9 -12.717 15.670 -4.313 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.885 16.811 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.393 17.258 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.116 17.184 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.735 15.566 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.558 16.362 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.833 19.151 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.343 18.440 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.015 19.004 -5.197 1.00 0.00 H new ATOM 134 N PRO A 10 -8.976 15.082 -6.082 1.00 0.00 N ATOM 135 CA PRO A 10 -8.058 13.945 -6.219 1.00 0.00 C ATOM 136 C PRO A 10 -7.870 13.181 -4.912 1.00 0.00 C ATOM 137 O PRO A 10 -7.595 13.772 -3.867 1.00 0.00 O ATOM 138 CB PRO A 10 -6.746 14.601 -6.636 1.00 0.00 C ATOM 139 CG PRO A 10 -7.146 15.856 -7.339 1.00 0.00 C ATOM 140 CD PRO A 10 -8.436 16.307 -6.704 1.00 0.00 C ATOM 0 HA PRO A 10 -8.433 13.207 -6.928 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.120 14.816 -5.770 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.170 13.948 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.375 16.620 -7.238 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.280 15.678 -8.406 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.264 17.088 -5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.124 16.715 -7.444 1.00 0.00 H new ATOM 148 N TYR A 11 -8.021 11.861 -4.979 1.00 0.00 N ATOM 149 CA TYR A 11 -7.868 11.007 -3.809 1.00 0.00 C ATOM 150 C TYR A 11 -6.440 11.058 -3.270 1.00 0.00 C ATOM 151 O TYR A 11 -5.503 11.398 -3.993 1.00 0.00 O ATOM 152 CB TYR A 11 -8.235 9.568 -4.168 1.00 0.00 C ATOM 153 CG TYR A 11 -8.627 8.732 -2.976 1.00 0.00 C ATOM 154 CD1 TYR A 11 -9.916 8.787 -2.465 1.00 0.00 C ATOM 155 CD2 TYR A 11 -7.711 7.889 -2.362 1.00 0.00 C ATOM 156 CE1 TYR A 11 -10.282 8.026 -1.376 1.00 0.00 C ATOM 157 CE2 TYR A 11 -8.070 7.123 -1.271 1.00 0.00 C ATOM 158 CZ TYR A 11 -9.356 7.194 -0.780 1.00 0.00 C ATOM 159 OH TYR A 11 -9.718 6.432 0.307 1.00 0.00 O ATOM 0 H TYR A 11 -8.250 11.359 -5.837 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.538 11.373 -3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.059 9.579 -4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.387 9.099 -4.668 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.644 9.437 -2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.702 7.831 -2.743 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.289 8.080 -0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.346 6.471 -0.804 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.950 5.902 0.605 1.00 0.00 H new ATOM 169 N THR A 12 -6.285 10.713 -1.994 1.00 0.00 N ATOM 170 CA THR A 12 -4.976 10.712 -1.351 1.00 0.00 C ATOM 171 C THR A 12 -4.797 9.460 -0.494 1.00 0.00 C ATOM 172 O THR A 12 -5.181 9.444 0.677 1.00 0.00 O ATOM 173 CB THR A 12 -4.780 11.959 -0.466 1.00 0.00 C ATOM 174 OG1 THR A 12 -4.887 13.147 -1.262 1.00 0.00 O ATOM 175 CG2 THR A 12 -3.424 11.930 0.230 1.00 0.00 C ATOM 0 H THR A 12 -7.053 10.430 -1.385 1.00 0.00 H new ATOM 0 HA THR A 12 -4.229 10.723 -2.145 1.00 0.00 H new ATOM 0 HB THR A 12 -5.559 11.958 0.296 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.763 13.935 -0.692 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.313 12.821 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.357 11.042 0.859 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.632 11.906 -0.518 1.00 0.00 H new ATOM 183 N PRO A 13 -4.213 8.388 -1.062 1.00 0.00 N ATOM 184 CA PRO A 13 -3.987 7.134 -0.336 1.00 0.00 C ATOM 185 C PRO A 13 -2.860 7.252 0.682 1.00 0.00 C ATOM 186 O PRO A 13 -2.093 8.214 0.662 1.00 0.00 O ATOM 187 CB PRO A 13 -3.613 6.162 -1.448 1.00 0.00 C ATOM 188 CG PRO A 13 -2.916 7.030 -2.414 1.00 0.00 C ATOM 189 CD PRO A 13 -3.720 8.297 -2.449 1.00 0.00 C ATOM 0 HA PRO A 13 -4.856 6.826 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.969 5.360 -1.086 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.492 5.691 -1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.889 7.223 -2.102 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.868 6.566 -3.399 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.111 9.159 -2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.536 8.242 -3.169 1.00 0.00 H new ATOM 197 N CYS A 14 -2.765 6.261 1.564 1.00 0.00 N ATOM 198 CA CYS A 14 -1.739 6.246 2.603 1.00 0.00 C ATOM 199 C CYS A 14 -1.656 7.579 3.329 1.00 0.00 C ATOM 200 O CYS A 14 -2.574 8.397 3.275 1.00 0.00 O ATOM 201 CB CYS A 14 -0.393 5.892 1.992 1.00 0.00 C ATOM 202 SG CYS A 14 0.791 5.159 3.163 1.00 0.00 S ATOM 0 H CYS A 14 -3.389 5.454 1.580 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.014 5.490 3.338 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.553 5.194 1.170 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.047 6.793 1.564 1.00 0.00 H new ATOM 207 N SER A 15 -0.547 7.776 4.016 1.00 0.00 N ATOM 208 CA SER A 15 -0.325 8.992 4.783 1.00 0.00 C ATOM 209 C SER A 15 1.025 9.638 4.462 1.00 0.00 C ATOM 210 O SER A 15 1.580 9.439 3.388 1.00 0.00 O ATOM 211 CB SER A 15 -0.422 8.694 6.280 1.00 0.00 C ATOM 212 OG SER A 15 -1.591 7.950 6.577 1.00 0.00 O ATOM 0 H SER A 15 0.221 7.106 4.060 1.00 0.00 H new ATOM 0 HA SER A 15 -1.102 9.702 4.501 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.458 8.137 6.601 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.430 9.629 6.840 1.00 0.00 H new ATOM 0 HG SER A 15 -1.629 7.771 7.540 1.00 0.00 H new ATOM 218 N GLY A 16 1.496 10.415 5.439 1.00 0.00 N ATOM 219 CA GLY A 16 2.758 11.168 5.409 1.00 0.00 C ATOM 220 C GLY A 16 3.818 10.785 4.370 1.00 0.00 C ATOM 221 O GLY A 16 3.525 10.436 3.236 1.00 0.00 O ATOM 0 H GLY A 16 0.988 10.545 6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.512 12.219 5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.216 11.085 6.395 1.00 0.00 H new ATOM 225 N LEU A 17 5.071 10.972 4.787 1.00 0.00 N ATOM 226 CA LEU A 17 6.274 10.749 3.969 1.00 0.00 C ATOM 227 C LEU A 17 6.091 9.799 2.781 1.00 0.00 C ATOM 228 O LEU A 17 6.530 10.115 1.675 1.00 0.00 O ATOM 229 CB LEU A 17 7.391 10.197 4.872 1.00 0.00 C ATOM 230 CG LEU A 17 8.827 10.498 4.430 1.00 0.00 C ATOM 231 CD1 LEU A 17 9.195 9.722 3.173 1.00 0.00 C ATOM 232 CD2 LEU A 17 9.001 11.987 4.212 1.00 0.00 C ATOM 0 H LEU A 17 5.288 11.292 5.731 1.00 0.00 H new ATOM 0 HA LEU A 17 6.521 11.719 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.250 10.598 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.273 9.116 4.941 1.00 0.00 H new ATOM 0 HG LEU A 17 9.502 10.176 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.220 9.958 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.110 8.653 3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.519 9.998 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.025 12.192 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.310 12.325 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.794 12.517 5.141 1.00 0.00 H new ATOM 244 N TYR A 18 5.449 8.658 2.977 1.00 0.00 N ATOM 245 CA TYR A 18 5.307 7.701 1.877 1.00 0.00 C ATOM 246 C TYR A 18 4.364 8.217 0.784 1.00 0.00 C ATOM 247 O TYR A 18 4.610 8.005 -0.404 1.00 0.00 O ATOM 248 CB TYR A 18 4.819 6.368 2.433 1.00 0.00 C ATOM 249 CG TYR A 18 5.473 5.996 3.746 1.00 0.00 C ATOM 250 CD1 TYR A 18 6.856 5.967 3.872 1.00 0.00 C ATOM 251 CD2 TYR A 18 4.706 5.691 4.864 1.00 0.00 C ATOM 252 CE1 TYR A 18 7.457 5.642 5.072 1.00 0.00 C ATOM 253 CE2 TYR A 18 5.300 5.366 6.069 1.00 0.00 C ATOM 254 CZ TYR A 18 6.675 5.344 6.168 1.00 0.00 C ATOM 255 OH TYR A 18 7.269 5.022 7.365 1.00 0.00 O ATOM 0 H TYR A 18 5.026 8.371 3.860 1.00 0.00 H new ATOM 0 HA TYR A 18 6.282 7.567 1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.739 6.413 2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.014 5.583 1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.472 6.203 3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.629 5.708 4.790 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.534 5.621 5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.690 5.130 6.929 1.00 0.00 H new ATOM 0 HH TYR A 18 6.577 4.840 8.035 1.00 0.00 H new ATOM 265 N GLY A 19 3.305 8.908 1.192 1.00 0.00 N ATOM 266 CA GLY A 19 2.374 9.519 0.250 1.00 0.00 C ATOM 267 C GLY A 19 1.715 8.583 -0.764 1.00 0.00 C ATOM 268 O GLY A 19 0.758 8.991 -1.423 1.00 0.00 O ATOM 0 H GLY A 19 3.069 9.059 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.587 10.013 0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.905 10.296 -0.299 1.00 0.00 H new ATOM 272 N THR A 20 2.189 7.343 -0.908 1.00 0.00 N ATOM 273 CA THR A 20 1.606 6.443 -1.907 1.00 0.00 C ATOM 274 C THR A 20 1.428 5.019 -1.389 1.00 0.00 C ATOM 275 O THR A 20 2.316 4.463 -0.747 1.00 0.00 O ATOM 276 CB THR A 20 2.471 6.404 -3.180 1.00 0.00 C ATOM 277 OG1 THR A 20 2.655 7.731 -3.686 1.00 0.00 O ATOM 278 CG2 THR A 20 1.825 5.536 -4.249 1.00 0.00 C ATOM 0 H THR A 20 2.954 6.947 -0.362 1.00 0.00 H new ATOM 0 HA THR A 20 0.619 6.846 -2.134 1.00 0.00 H new ATOM 0 HB THR A 20 3.439 5.974 -2.921 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.207 7.699 -4.495 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.455 5.525 -5.138 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.711 4.520 -3.872 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.846 5.941 -4.504 1.00 0.00 H new ATOM 286 N ALA A 21 0.284 4.422 -1.721 1.00 0.00 N ATOM 287 CA ALA A 21 -0.036 3.064 -1.292 1.00 0.00 C ATOM 288 C ALA A 21 0.088 2.092 -2.464 1.00 0.00 C ATOM 289 O ALA A 21 -0.526 2.296 -3.512 1.00 0.00 O ATOM 290 CB ALA A 21 -1.441 3.026 -0.704 1.00 0.00 C ATOM 0 H ALA A 21 -0.440 4.862 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 21 0.673 2.757 -0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.675 2.010 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.495 3.697 0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.160 3.344 -1.459 1.00 0.00 H new ATOM 296 N GLN A 22 0.880 1.032 -2.288 1.00 0.00 N ATOM 297 CA GLN A 22 1.086 0.052 -3.354 1.00 0.00 C ATOM 298 C GLN A 22 1.300 -1.352 -2.791 1.00 0.00 C ATOM 299 O GLN A 22 1.354 -1.542 -1.576 1.00 0.00 O ATOM 300 CB GLN A 22 2.296 0.453 -4.206 1.00 0.00 C ATOM 301 CG GLN A 22 2.118 1.767 -4.954 1.00 0.00 C ATOM 302 CD GLN A 22 1.270 1.617 -6.202 1.00 0.00 C ATOM 303 OE1 GLN A 22 1.294 0.581 -6.859 1.00 0.00 O ATOM 304 NE2 GLN A 22 0.509 2.655 -6.532 1.00 0.00 N ATOM 0 H GLN A 22 1.385 0.832 -1.425 1.00 0.00 H new ATOM 0 HA GLN A 22 0.188 0.038 -3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.172 0.529 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.498 -0.339 -4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.656 2.499 -4.291 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.097 2.160 -5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.519 3.498 -5.958 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.085 2.609 -7.360 1.00 0.00 H new ATOM 313 N CYS A 23 1.421 -2.330 -3.688 1.00 0.00 N ATOM 314 CA CYS A 23 1.639 -3.718 -3.291 1.00 0.00 C ATOM 315 C CYS A 23 2.918 -4.248 -3.929 1.00 0.00 C ATOM 316 O CYS A 23 3.017 -4.345 -5.153 1.00 0.00 O ATOM 317 CB CYS A 23 0.449 -4.590 -3.701 1.00 0.00 C ATOM 318 SG CYS A 23 -1.118 -4.150 -2.881 1.00 0.00 S ATOM 0 H CYS A 23 1.371 -2.185 -4.696 1.00 0.00 H new ATOM 0 HA CYS A 23 1.738 -3.756 -2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.314 -4.517 -4.780 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.682 -5.631 -3.479 1.00 0.00 H new ATOM 323 N CYS A 24 3.894 -4.592 -3.096 1.00 0.00 N ATOM 324 CA CYS A 24 5.172 -5.096 -3.589 1.00 0.00 C ATOM 325 C CYS A 24 5.600 -6.357 -2.842 1.00 0.00 C ATOM 326 O CYS A 24 5.129 -6.631 -1.738 1.00 0.00 O ATOM 327 CB CYS A 24 6.246 -4.015 -3.453 1.00 0.00 C ATOM 328 SG CYS A 24 5.829 -2.443 -4.277 1.00 0.00 S ATOM 0 H CYS A 24 3.826 -4.532 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 24 5.049 -5.355 -4.641 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.421 -3.823 -2.394 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.181 -4.393 -3.867 1.00 0.00 H new ATOM 333 N ALA A 25 6.500 -7.120 -3.459 1.00 0.00 N ATOM 334 CA ALA A 25 7.007 -8.354 -2.870 1.00 0.00 C ATOM 335 C ALA A 25 8.144 -8.065 -1.898 1.00 0.00 C ATOM 336 O ALA A 25 8.675 -6.955 -1.865 1.00 0.00 O ATOM 337 CB ALA A 25 7.474 -9.304 -3.962 1.00 0.00 C ATOM 0 H ALA A 25 6.895 -6.901 -4.374 1.00 0.00 H new ATOM 0 HA ALA A 25 6.197 -8.826 -2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.850 -10.222 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.638 -9.540 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.269 -8.832 -4.540 1.00 0.00 H new ATOM 343 N THR A 26 8.514 -9.069 -1.113 1.00 0.00 N ATOM 344 CA THR A 26 9.585 -8.912 -0.137 1.00 0.00 C ATOM 345 C THR A 26 10.692 -9.946 -0.345 1.00 0.00 C ATOM 346 O THR A 26 10.460 -11.008 -0.922 1.00 0.00 O ATOM 347 CB THR A 26 9.050 -9.016 1.304 1.00 0.00 C ATOM 348 OG1 THR A 26 10.008 -8.477 2.217 1.00 0.00 O ATOM 349 CG2 THR A 26 8.753 -10.460 1.681 1.00 0.00 C ATOM 0 H THR A 26 8.091 -9.997 -1.133 1.00 0.00 H new ATOM 0 HA THR A 26 10.003 -7.917 -0.289 1.00 0.00 H new ATOM 0 HB THR A 26 8.122 -8.447 1.359 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.812 -7.530 2.376 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.377 -10.499 2.703 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.003 -10.866 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.666 -11.051 1.607 1.00 0.00 H new ATOM 357 N ASP A 27 11.896 -9.626 0.132 1.00 0.00 N ATOM 358 CA ASP A 27 13.040 -10.520 -0.010 1.00 0.00 C ATOM 359 C ASP A 27 13.116 -11.511 1.145 1.00 0.00 C ATOM 360 O ASP A 27 12.195 -11.611 1.956 1.00 0.00 O ATOM 361 CB ASP A 27 14.337 -9.713 -0.088 1.00 0.00 C ATOM 362 CG ASP A 27 14.800 -9.227 1.269 1.00 0.00 C ATOM 363 OD1 ASP A 27 14.046 -8.474 1.917 1.00 0.00 O ATOM 364 OD2 ASP A 27 15.916 -9.602 1.686 1.00 0.00 O ATOM 0 H ASP A 27 12.101 -8.754 0.620 1.00 0.00 H new ATOM 0 HA ASP A 27 12.909 -11.083 -0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.118 -10.328 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.189 -8.857 -0.746 1.00 0.00 H new ATOM 369 N VAL A 28 14.225 -12.237 1.211 1.00 0.00 N ATOM 370 CA VAL A 28 14.437 -13.233 2.252 1.00 0.00 C ATOM 371 C VAL A 28 14.420 -12.624 3.654 1.00 0.00 C ATOM 372 O VAL A 28 13.793 -13.170 4.563 1.00 0.00 O ATOM 373 CB VAL A 28 15.763 -13.985 2.042 1.00 0.00 C ATOM 374 CG1 VAL A 28 15.625 -14.956 0.885 1.00 0.00 C ATOM 375 CG2 VAL A 28 16.906 -13.014 1.793 1.00 0.00 C ATOM 0 H VAL A 28 14.997 -12.153 0.550 1.00 0.00 H new ATOM 0 HA VAL A 28 13.605 -13.933 2.174 1.00 0.00 H new ATOM 0 HB VAL A 28 15.994 -14.544 2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 28 16.567 -15.486 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.835 -15.674 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.375 -14.407 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.832 -13.571 1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.694 -12.424 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.013 -12.350 2.651 1.00 0.00 H new ATOM 385 N LEU A 29 15.103 -11.495 3.831 1.00 0.00 N ATOM 386 CA LEU A 29 15.164 -10.842 5.131 1.00 0.00 C ATOM 387 C LEU A 29 13.905 -10.017 5.397 1.00 0.00 C ATOM 388 O LEU A 29 13.589 -9.705 6.545 1.00 0.00 O ATOM 389 CB LEU A 29 16.412 -9.965 5.210 1.00 0.00 C ATOM 390 CG LEU A 29 17.696 -10.654 4.759 1.00 0.00 C ATOM 391 CD1 LEU A 29 18.834 -9.652 4.675 1.00 0.00 C ATOM 392 CD2 LEU A 29 18.044 -11.788 5.712 1.00 0.00 C ATOM 0 H LEU A 29 15.619 -11.017 3.092 1.00 0.00 H new ATOM 0 HA LEU A 29 15.220 -11.611 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.256 -9.077 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.538 -9.625 6.238 1.00 0.00 H new ATOM 0 HG LEU A 29 17.540 -11.074 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 29 19.743 -10.160 4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.580 -8.872 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.998 -9.204 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.962 -12.273 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.187 -11.389 6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.233 -12.516 5.723 1.00 0.00 H new ATOM 404 N GLY A 30 13.188 -9.667 4.329 1.00 0.00 N ATOM 405 CA GLY A 30 11.960 -8.900 4.474 1.00 0.00 C ATOM 406 C GLY A 30 12.076 -7.459 3.997 1.00 0.00 C ATOM 407 O GLY A 30 11.063 -6.806 3.748 1.00 0.00 O ATOM 0 H GLY A 30 13.435 -9.901 3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.165 -9.395 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.662 -8.903 5.523 1.00 0.00 H new ATOM 411 N VAL A 31 13.301 -6.951 3.882 1.00 0.00 N ATOM 412 CA VAL A 31 13.511 -5.581 3.429 1.00 0.00 C ATOM 413 C VAL A 31 13.939 -5.542 1.966 1.00 0.00 C ATOM 414 O VAL A 31 15.067 -5.911 1.633 1.00 0.00 O ATOM 415 CB VAL A 31 14.573 -4.863 4.283 1.00 0.00 C ATOM 416 CG1 VAL A 31 14.730 -3.417 3.840 1.00 0.00 C ATOM 417 CG2 VAL A 31 14.212 -4.939 5.760 1.00 0.00 C ATOM 0 H VAL A 31 14.156 -7.464 4.095 1.00 0.00 H new ATOM 0 HA VAL A 31 12.558 -5.064 3.538 1.00 0.00 H new ATOM 0 HB VAL A 31 15.528 -5.368 4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.485 -2.928 4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.040 -3.388 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.778 -2.897 3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.974 -4.426 6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.246 -4.462 5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.158 -5.983 6.068 1.00 0.00 H new ATOM 427 N ALA A 32 13.036 -5.087 1.099 1.00 0.00 N ATOM 428 CA ALA A 32 13.319 -4.986 -0.330 1.00 0.00 C ATOM 429 C ALA A 32 12.124 -4.430 -1.095 1.00 0.00 C ATOM 430 O ALA A 32 11.020 -4.324 -0.559 1.00 0.00 O ATOM 431 CB ALA A 32 13.708 -6.345 -0.895 1.00 0.00 C ATOM 0 H ALA A 32 12.099 -4.782 1.363 1.00 0.00 H new ATOM 0 HA ALA A 32 14.154 -4.296 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.915 -6.250 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.598 -6.710 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.889 -7.049 -0.746 1.00 0.00 H new ATOM 437 N ASP A 33 12.357 -4.075 -2.353 1.00 0.00 N ATOM 438 CA ASP A 33 11.312 -3.536 -3.215 1.00 0.00 C ATOM 439 C ASP A 33 11.284 -4.304 -4.534 1.00 0.00 C ATOM 440 O ASP A 33 11.863 -3.873 -5.532 1.00 0.00 O ATOM 441 CB ASP A 33 11.551 -2.041 -3.462 1.00 0.00 C ATOM 442 CG ASP A 33 10.501 -1.424 -4.366 1.00 0.00 C ATOM 443 OD1 ASP A 33 10.646 -1.526 -5.603 1.00 0.00 O ATOM 444 OD2 ASP A 33 9.535 -0.837 -3.836 1.00 0.00 O ATOM 0 H ASP A 33 13.270 -4.152 -2.802 1.00 0.00 H new ATOM 0 HA ASP A 33 10.346 -3.651 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.557 -1.515 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.536 -1.903 -3.908 1.00 0.00 H new ATOM 449 N LEU A 34 10.607 -5.452 -4.524 1.00 0.00 N ATOM 450 CA LEU A 34 10.518 -6.308 -5.702 1.00 0.00 C ATOM 451 C LEU A 34 9.112 -6.323 -6.293 1.00 0.00 C ATOM 452 O LEU A 34 8.126 -6.398 -5.566 1.00 0.00 O ATOM 453 CB LEU A 34 10.915 -7.734 -5.321 1.00 0.00 C ATOM 454 CG LEU A 34 11.927 -7.825 -4.183 1.00 0.00 C ATOM 455 CD1 LEU A 34 12.002 -9.240 -3.637 1.00 0.00 C ATOM 456 CD2 LEU A 34 13.292 -7.362 -4.660 1.00 0.00 C ATOM 0 H LEU A 34 10.111 -5.810 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 34 11.195 -5.907 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.018 -8.284 -5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.329 -8.230 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 34 11.598 -7.171 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.730 -9.279 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.023 -9.537 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.306 -9.921 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.007 -7.431 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.623 -7.994 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.228 -6.328 -4.999 1.00 0.00 H new ATOM 468 N ASP A 35 9.037 -6.252 -7.619 1.00 0.00 N ATOM 469 CA ASP A 35 7.761 -6.286 -8.329 1.00 0.00 C ATOM 470 C ASP A 35 6.746 -5.324 -7.720 1.00 0.00 C ATOM 471 O ASP A 35 5.927 -5.714 -6.887 1.00 0.00 O ATOM 472 CB ASP A 35 7.194 -7.708 -8.326 1.00 0.00 C ATOM 473 CG ASP A 35 5.879 -7.807 -9.077 1.00 0.00 C ATOM 474 OD1 ASP A 35 5.915 -7.965 -10.315 1.00 0.00 O ATOM 475 OD2 ASP A 35 4.816 -7.727 -8.427 1.00 0.00 O ATOM 0 H ASP A 35 9.851 -6.170 -8.228 1.00 0.00 H new ATOM 0 HA ASP A 35 7.949 -5.968 -9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.919 -8.386 -8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.047 -8.036 -7.297 1.00 0.00 H new ATOM 480 N CYS A 36 6.806 -4.067 -8.138 1.00 0.00 N ATOM 481 CA CYS A 36 5.878 -3.056 -7.645 1.00 0.00 C ATOM 482 C CYS A 36 4.897 -2.646 -8.741 1.00 0.00 C ATOM 483 O CYS A 36 5.301 -2.331 -9.861 1.00 0.00 O ATOM 484 CB CYS A 36 6.640 -1.837 -7.131 1.00 0.00 C ATOM 485 SG CYS A 36 7.411 -2.090 -5.500 1.00 0.00 S ATOM 0 H CYS A 36 7.486 -3.723 -8.816 1.00 0.00 H new ATOM 0 HA CYS A 36 5.311 -3.485 -6.819 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.414 -1.573 -7.852 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.956 -0.990 -7.072 1.00 0.00 H new ATOM 490 N ALA A 37 3.605 -2.656 -8.413 1.00 0.00 N ATOM 491 CA ALA A 37 2.569 -2.296 -9.374 1.00 0.00 C ATOM 492 C ALA A 37 1.345 -1.714 -8.680 1.00 0.00 C ATOM 493 O ALA A 37 1.172 -1.871 -7.472 1.00 0.00 O ATOM 494 CB ALA A 37 2.169 -3.512 -10.189 1.00 0.00 C ATOM 0 H ALA A 37 3.254 -2.910 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 37 2.978 -1.533 -10.036 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.395 -3.232 -10.904 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.038 -3.892 -10.726 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.786 -4.286 -9.524 1.00 0.00 H new ATOM 500 N ASN A 38 0.492 -1.054 -9.459 1.00 0.00 N ATOM 501 CA ASN A 38 -0.723 -0.444 -8.927 1.00 0.00 C ATOM 502 C ASN A 38 -1.597 -1.500 -8.241 1.00 0.00 C ATOM 503 O ASN A 38 -1.820 -2.578 -8.791 1.00 0.00 O ATOM 504 CB ASN A 38 -1.512 0.242 -10.057 1.00 0.00 C ATOM 505 CG ASN A 38 -2.232 -0.756 -10.945 1.00 0.00 C ATOM 506 OD1 ASN A 38 -3.398 -1.080 -10.715 1.00 0.00 O ATOM 507 ND2 ASN A 38 -1.540 -1.252 -11.965 1.00 0.00 N ATOM 0 H ASN A 38 0.620 -0.928 -10.463 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.439 0.306 -8.189 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.238 0.930 -9.624 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.830 0.838 -10.663 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.973 -1.929 -12.594 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.576 -0.956 -12.119 1.00 0.00 H new ATOM 514 N PRO A 39 -2.098 -1.204 -7.024 1.00 0.00 N ATOM 515 CA PRO A 39 -2.937 -2.125 -6.269 1.00 0.00 C ATOM 516 C PRO A 39 -4.423 -1.930 -6.564 1.00 0.00 C ATOM 517 O PRO A 39 -4.989 -0.889 -6.231 1.00 0.00 O ATOM 518 CB PRO A 39 -2.625 -1.735 -4.828 1.00 0.00 C ATOM 519 CG PRO A 39 -2.353 -0.265 -4.880 1.00 0.00 C ATOM 520 CD PRO A 39 -1.898 0.057 -6.286 1.00 0.00 C ATOM 0 HA PRO A 39 -2.739 -3.170 -6.509 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.463 -1.959 -4.167 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.763 -2.283 -4.448 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.249 0.301 -4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.587 0.010 -4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.482 0.869 -6.718 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.854 0.370 -6.306 1.00 0.00 H new ATOM 528 N PRO A 40 -5.085 -2.918 -7.195 1.00 0.00 N ATOM 529 CA PRO A 40 -6.501 -2.813 -7.516 1.00 0.00 C ATOM 530 C PRO A 40 -7.393 -3.359 -6.406 1.00 0.00 C ATOM 531 O PRO A 40 -7.401 -4.560 -6.134 1.00 0.00 O ATOM 532 CB PRO A 40 -6.605 -3.691 -8.758 1.00 0.00 C ATOM 533 CG PRO A 40 -5.591 -4.775 -8.541 1.00 0.00 C ATOM 534 CD PRO A 40 -4.520 -4.202 -7.641 1.00 0.00 C ATOM 0 HA PRO A 40 -6.828 -1.782 -7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.608 -4.103 -8.869 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.391 -3.124 -9.664 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.053 -5.650 -8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.164 -5.100 -9.490 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.311 -4.861 -6.798 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.581 -4.061 -8.176 1.00 0.00 H new ATOM 542 N ALA A 41 -8.148 -2.465 -5.774 1.00 0.00 N ATOM 543 CA ALA A 41 -9.065 -2.845 -4.707 1.00 0.00 C ATOM 544 C ALA A 41 -9.870 -1.643 -4.239 1.00 0.00 C ATOM 545 O ALA A 41 -9.724 -0.540 -4.767 1.00 0.00 O ATOM 546 CB ALA A 41 -8.304 -3.454 -3.539 1.00 0.00 C ATOM 0 H ALA A 41 -8.141 -1.467 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.754 -3.592 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.006 -3.731 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.768 -4.341 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.592 -2.726 -3.150 1.00 0.00 H new ATOM 552 N THR A 42 -10.719 -1.860 -3.244 1.00 0.00 N ATOM 553 CA THR A 42 -11.509 -0.789 -2.669 1.00 0.00 C ATOM 554 C THR A 42 -11.001 -0.499 -1.262 1.00 0.00 C ATOM 555 O THR A 42 -11.490 -1.068 -0.286 1.00 0.00 O ATOM 556 CB THR A 42 -12.997 -1.157 -2.614 1.00 0.00 C ATOM 557 OG1 THR A 42 -13.456 -1.543 -3.915 1.00 0.00 O ATOM 558 CG2 THR A 42 -13.814 0.019 -2.113 1.00 0.00 C ATOM 0 H THR A 42 -10.876 -2.774 -2.819 1.00 0.00 H new ATOM 0 HA THR A 42 -11.406 0.094 -3.299 1.00 0.00 H new ATOM 0 HB THR A 42 -13.122 -1.993 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.406 -1.778 -3.870 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.868 -0.258 -2.080 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.479 0.295 -1.113 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.683 0.866 -2.786 1.00 0.00 H new ATOM 566 N LEU A 43 -10.018 0.389 -1.167 1.00 0.00 N ATOM 567 CA LEU A 43 -9.423 0.728 0.123 1.00 0.00 C ATOM 568 C LEU A 43 -10.432 1.408 1.040 1.00 0.00 C ATOM 569 O LEU A 43 -10.968 2.467 0.716 1.00 0.00 O ATOM 570 CB LEU A 43 -8.196 1.631 -0.056 1.00 0.00 C ATOM 571 CG LEU A 43 -7.210 1.199 -1.150 1.00 0.00 C ATOM 572 CD1 LEU A 43 -5.906 1.970 -1.024 1.00 0.00 C ATOM 573 CD2 LEU A 43 -6.950 -0.301 -1.091 1.00 0.00 C ATOM 0 H LEU A 43 -9.617 0.886 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.109 -0.207 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.540 2.641 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.661 1.679 0.892 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.658 1.426 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.218 1.652 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.103 3.037 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.461 1.775 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.248 -0.580 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.528 -0.559 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.887 -0.839 -1.234 1.00 0.00 H new ATOM 585 N ALA A 44 -10.686 0.785 2.187 1.00 0.00 N ATOM 586 CA ALA A 44 -11.623 1.327 3.161 1.00 0.00 C ATOM 587 C ALA A 44 -10.910 1.671 4.463 1.00 0.00 C ATOM 588 O ALA A 44 -11.183 2.702 5.078 1.00 0.00 O ATOM 589 CB ALA A 44 -12.748 0.340 3.420 1.00 0.00 C ATOM 0 H ALA A 44 -10.254 -0.097 2.463 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.049 2.243 2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.440 0.760 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.279 0.141 2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.333 -0.591 3.807 1.00 0.00 H new ATOM 595 N ASN A 45 -9.990 0.801 4.876 1.00 0.00 N ATOM 596 CA ASN A 45 -9.231 1.014 6.102 1.00 0.00 C ATOM 597 C ASN A 45 -7.871 0.325 6.022 1.00 0.00 C ATOM 598 O ASN A 45 -7.458 -0.126 4.954 1.00 0.00 O ATOM 599 CB ASN A 45 -10.005 0.487 7.316 1.00 0.00 C ATOM 600 CG ASN A 45 -11.379 1.116 7.457 1.00 0.00 C ATOM 601 OD1 ASN A 45 -11.537 2.152 8.105 1.00 0.00 O ATOM 602 ND2 ASN A 45 -12.384 0.490 6.853 1.00 0.00 N ATOM 0 H ASN A 45 -9.754 -0.057 4.378 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.077 2.087 6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.113 -0.594 7.231 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.428 0.680 8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.330 0.865 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.209 -0.366 6.326 1.00 0.00 H new ATOM 609 N ALA A 46 -7.182 0.247 7.157 1.00 0.00 N ATOM 610 CA ALA A 46 -5.871 -0.389 7.214 1.00 0.00 C ATOM 611 C ALA A 46 -5.969 -1.873 6.880 1.00 0.00 C ATOM 612 O ALA A 46 -5.111 -2.423 6.189 1.00 0.00 O ATOM 613 CB ALA A 46 -5.246 -0.196 8.588 1.00 0.00 C ATOM 0 H ALA A 46 -7.510 0.617 8.049 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.232 0.086 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.268 -0.677 8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.132 0.869 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.889 -0.642 9.346 1.00 0.00 H new ATOM 619 N THR A 47 -7.026 -2.514 7.368 1.00 0.00 N ATOM 620 CA THR A 47 -7.240 -3.930 7.129 1.00 0.00 C ATOM 621 C THR A 47 -7.622 -4.183 5.678 1.00 0.00 C ATOM 622 O THR A 47 -7.066 -5.068 5.028 1.00 0.00 O ATOM 623 CB THR A 47 -8.339 -4.474 8.055 1.00 0.00 C ATOM 624 OG1 THR A 47 -7.899 -4.429 9.417 1.00 0.00 O ATOM 625 CG2 THR A 47 -8.712 -5.897 7.683 1.00 0.00 C ATOM 0 H THR A 47 -7.749 -2.069 7.934 1.00 0.00 H new ATOM 0 HA THR A 47 -6.306 -4.449 7.342 1.00 0.00 H new ATOM 0 HB THR A 47 -9.222 -3.846 7.938 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.606 -4.776 10.001 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.492 -6.256 8.355 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.078 -5.921 6.657 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.835 -6.538 7.770 1.00 0.00 H new ATOM 633 N HIS A 48 -8.575 -3.405 5.177 1.00 0.00 N ATOM 634 CA HIS A 48 -9.017 -3.542 3.797 1.00 0.00 C ATOM 635 C HIS A 48 -7.831 -3.369 2.857 1.00 0.00 C ATOM 636 O HIS A 48 -7.783 -3.961 1.779 1.00 0.00 O ATOM 637 CB HIS A 48 -10.103 -2.513 3.479 1.00 0.00 C ATOM 638 CG HIS A 48 -11.059 -2.959 2.415 1.00 0.00 C ATOM 639 ND1 HIS A 48 -12.416 -2.722 2.475 1.00 0.00 N ATOM 640 CD2 HIS A 48 -10.850 -3.632 1.257 1.00 0.00 C ATOM 641 CE1 HIS A 48 -12.999 -3.230 1.404 1.00 0.00 C ATOM 642 NE2 HIS A 48 -12.072 -3.788 0.649 1.00 0.00 N ATOM 0 H HIS A 48 -9.054 -2.676 5.705 1.00 0.00 H new ATOM 0 HA HIS A 48 -9.438 -4.538 3.658 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.662 -2.294 4.389 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.630 -1.583 3.164 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.899 -3.981 0.882 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.056 -3.195 1.184 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.236 -4.259 -0.241 1.00 0.00 H new ATOM 651 N PHE A 49 -6.873 -2.547 3.282 1.00 0.00 N ATOM 652 CA PHE A 49 -5.669 -2.301 2.498 1.00 0.00 C ATOM 653 C PHE A 49 -4.784 -3.543 2.494 1.00 0.00 C ATOM 654 O PHE A 49 -4.186 -3.888 1.476 1.00 0.00 O ATOM 655 CB PHE A 49 -4.896 -1.100 3.061 1.00 0.00 C ATOM 656 CG PHE A 49 -3.623 -0.799 2.318 1.00 0.00 C ATOM 657 CD1 PHE A 49 -3.626 -0.651 0.940 1.00 0.00 C ATOM 658 CD2 PHE A 49 -2.425 -0.664 3.000 1.00 0.00 C ATOM 659 CE1 PHE A 49 -2.457 -0.375 0.257 1.00 0.00 C ATOM 660 CE2 PHE A 49 -1.253 -0.388 2.322 1.00 0.00 C ATOM 661 CZ PHE A 49 -1.269 -0.244 0.948 1.00 0.00 C ATOM 0 H PHE A 49 -6.910 -2.040 4.167 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.962 -2.073 1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.539 -0.220 3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.659 -1.290 4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.552 -0.753 0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.407 -0.776 4.074 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.473 -0.262 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.325 -0.285 2.866 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.354 -0.029 0.416 1.00 0.00 H new ATOM 671 N GLU A 50 -4.703 -4.210 3.645 1.00 0.00 N ATOM 672 CA GLU A 50 -3.910 -5.425 3.768 1.00 0.00 C ATOM 673 C GLU A 50 -4.472 -6.506 2.854 1.00 0.00 C ATOM 674 O GLU A 50 -3.730 -7.271 2.239 1.00 0.00 O ATOM 675 CB GLU A 50 -3.907 -5.909 5.218 1.00 0.00 C ATOM 676 CG GLU A 50 -3.148 -7.210 5.423 1.00 0.00 C ATOM 677 CD GLU A 50 -1.658 -7.061 5.186 1.00 0.00 C ATOM 678 OE1 GLU A 50 -1.241 -7.067 4.009 1.00 0.00 O ATOM 679 OE2 GLU A 50 -0.909 -6.939 6.177 1.00 0.00 O ATOM 0 H GLU A 50 -5.177 -3.927 4.502 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.884 -5.209 3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.466 -5.137 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.937 -6.042 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.316 -7.568 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.545 -7.968 4.748 1.00 0.00 H new ATOM 686 N SER A 51 -5.798 -6.555 2.776 1.00 0.00 N ATOM 687 CA SER A 51 -6.494 -7.508 1.955 1.00 0.00 C ATOM 688 C SER A 51 -6.274 -7.226 0.470 1.00 0.00 C ATOM 689 O SER A 51 -6.533 -8.080 -0.377 1.00 0.00 O ATOM 690 CB SER A 51 -7.981 -7.427 2.295 1.00 0.00 C ATOM 691 OG SER A 51 -8.210 -7.738 3.659 1.00 0.00 O ATOM 0 H SER A 51 -6.414 -5.925 3.289 1.00 0.00 H new ATOM 0 HA SER A 51 -6.110 -8.509 2.153 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.352 -6.425 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.540 -8.117 1.663 1.00 0.00 H new ATOM 0 HG SER A 51 -7.902 -6.996 4.220 1.00 0.00 H new ATOM 697 N THR A 52 -5.795 -6.024 0.164 1.00 0.00 N ATOM 698 CA THR A 52 -5.547 -5.625 -1.218 1.00 0.00 C ATOM 699 C THR A 52 -4.282 -6.272 -1.769 1.00 0.00 C ATOM 700 O THR A 52 -4.261 -6.752 -2.902 1.00 0.00 O ATOM 701 CB THR A 52 -5.420 -4.094 -1.344 1.00 0.00 C ATOM 702 OG1 THR A 52 -6.643 -3.464 -0.947 1.00 0.00 O ATOM 703 CG2 THR A 52 -5.076 -3.687 -2.772 1.00 0.00 C ATOM 0 H THR A 52 -5.571 -5.308 0.855 1.00 0.00 H new ATOM 0 HA THR A 52 -6.404 -5.966 -1.799 1.00 0.00 H new ATOM 0 HB THR A 52 -4.613 -3.769 -0.688 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.861 -3.724 -0.028 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.993 -2.602 -2.831 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.128 -4.140 -3.061 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.861 -4.028 -3.447 1.00 0.00 H new ATOM 711 N CYS A 53 -3.230 -6.284 -0.959 1.00 0.00 N ATOM 712 CA CYS A 53 -1.957 -6.861 -1.372 1.00 0.00 C ATOM 713 C CYS A 53 -1.918 -8.363 -1.112 1.00 0.00 C ATOM 714 O CYS A 53 -1.166 -9.089 -1.758 1.00 0.00 O ATOM 715 CB CYS A 53 -0.802 -6.175 -0.641 1.00 0.00 C ATOM 716 SG CYS A 53 -0.717 -4.375 -0.905 1.00 0.00 S ATOM 0 H CYS A 53 -3.233 -5.901 -0.014 1.00 0.00 H new ATOM 0 HA CYS A 53 -1.850 -6.699 -2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.896 -6.370 0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.137 -6.624 -0.966 1.00 0.00 H new ATOM 721 N ALA A 54 -2.739 -8.824 -0.174 1.00 0.00 N ATOM 722 CA ALA A 54 -2.790 -10.236 0.174 1.00 0.00 C ATOM 723 C ALA A 54 -3.644 -10.999 -0.825 1.00 0.00 C ATOM 724 O ALA A 54 -3.542 -12.220 -0.952 1.00 0.00 O ATOM 725 CB ALA A 54 -3.338 -10.403 1.581 1.00 0.00 C ATOM 0 H ALA A 54 -3.380 -8.236 0.359 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.780 -10.644 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.373 -11.463 1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.692 -9.882 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.343 -9.984 1.632 1.00 0.00 H new ATOM 731 N ALA A 55 -4.486 -10.258 -1.528 1.00 0.00 N ATOM 732 CA ALA A 55 -5.380 -10.823 -2.520 1.00 0.00 C ATOM 733 C ALA A 55 -4.624 -11.423 -3.700 1.00 0.00 C ATOM 734 O ALA A 55 -4.991 -12.480 -4.210 1.00 0.00 O ATOM 735 CB ALA A 55 -6.332 -9.749 -3.004 1.00 0.00 C ATOM 0 H ALA A 55 -4.567 -9.246 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.936 -11.634 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.006 -10.170 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.913 -9.371 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.763 -8.932 -3.448 1.00 0.00 H new ATOM 741 N ILE A 56 -3.565 -10.743 -4.130 1.00 0.00 N ATOM 742 CA ILE A 56 -2.779 -11.203 -5.270 1.00 0.00 C ATOM 743 C ILE A 56 -1.490 -11.917 -4.854 1.00 0.00 C ATOM 744 O ILE A 56 -0.641 -12.210 -5.696 1.00 0.00 O ATOM 745 CB ILE A 56 -2.449 -10.039 -6.226 1.00 0.00 C ATOM 746 CG1 ILE A 56 -2.082 -8.776 -5.437 1.00 0.00 C ATOM 747 CG2 ILE A 56 -3.634 -9.776 -7.148 1.00 0.00 C ATOM 748 CD1 ILE A 56 -1.897 -7.543 -6.302 1.00 0.00 C ATOM 0 H ILE A 56 -3.233 -9.876 -3.708 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.402 -11.930 -5.791 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.587 -10.315 -6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.863 -8.579 -4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.162 -8.960 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.395 -8.953 -7.821 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.847 -10.672 -7.731 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.508 -9.515 -6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.639 -6.692 -5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.096 -7.719 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.823 -7.331 -6.837 1.00 0.00 H new ATOM 760 N GLY A 57 -1.344 -12.198 -3.559 1.00 0.00 N ATOM 761 CA GLY A 57 -0.163 -12.910 -3.087 1.00 0.00 C ATOM 762 C GLY A 57 1.007 -12.005 -2.730 1.00 0.00 C ATOM 763 O GLY A 57 2.150 -12.308 -3.074 1.00 0.00 O ATOM 0 H GLY A 57 -2.016 -11.948 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.433 -13.499 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.157 -13.612 -3.857 1.00 0.00 H new ATOM 767 N GLN A 58 0.736 -10.896 -2.046 1.00 0.00 N ATOM 768 CA GLN A 58 1.794 -9.973 -1.645 1.00 0.00 C ATOM 769 C GLN A 58 1.476 -9.324 -0.300 1.00 0.00 C ATOM 770 O GLN A 58 0.464 -9.638 0.326 1.00 0.00 O ATOM 771 CB GLN A 58 2.005 -8.900 -2.716 1.00 0.00 C ATOM 772 CG GLN A 58 2.846 -9.382 -3.895 1.00 0.00 C ATOM 773 CD GLN A 58 2.978 -8.340 -4.988 1.00 0.00 C ATOM 774 OE1 GLN A 58 3.893 -7.517 -4.968 1.00 0.00 O ATOM 775 NE2 GLN A 58 2.067 -8.372 -5.952 1.00 0.00 N ATOM 0 H GLN A 58 -0.202 -10.616 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 58 2.715 -10.545 -1.537 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.034 -8.567 -3.083 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.489 -8.034 -2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.839 -9.656 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.397 -10.284 -4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.325 -9.072 -5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.109 -7.697 -6.716 1.00 0.00 H new ATOM 784 N ARG A 59 2.350 -8.420 0.141 1.00 0.00 N ATOM 785 CA ARG A 59 2.165 -7.735 1.422 1.00 0.00 C ATOM 786 C ARG A 59 1.990 -6.230 1.218 1.00 0.00 C ATOM 787 O ARG A 59 2.507 -5.662 0.257 1.00 0.00 O ATOM 788 CB ARG A 59 3.350 -8.006 2.357 1.00 0.00 C ATOM 789 CG ARG A 59 3.522 -9.476 2.719 1.00 0.00 C ATOM 790 CD ARG A 59 4.556 -9.667 3.819 1.00 0.00 C ATOM 791 NE ARG A 59 5.764 -8.879 3.584 1.00 0.00 N ATOM 792 CZ ARG A 59 6.859 -8.965 4.335 1.00 0.00 C ATOM 793 NH1 ARG A 59 6.902 -9.808 5.357 1.00 0.00 N ATOM 794 NH2 ARG A 59 7.912 -8.207 4.062 1.00 0.00 N ATOM 0 H ARG A 59 3.191 -8.145 -0.367 1.00 0.00 H new ATOM 0 HA ARG A 59 1.258 -8.128 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.264 -7.648 1.883 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.219 -7.429 3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.565 -9.885 3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.824 -10.036 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.121 -9.384 4.778 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.820 -10.722 3.888 1.00 0.00 H new ATOM 0 HE ARG A 59 5.768 -8.226 2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.094 -10.393 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.743 -9.871 5.931 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.883 -7.558 3.276 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.751 -8.273 4.638 1.00 0.00 H new ATOM 808 N ALA A 60 1.263 -5.591 2.135 1.00 0.00 N ATOM 809 CA ALA A 60 1.007 -4.158 2.053 1.00 0.00 C ATOM 810 C ALA A 60 2.186 -3.344 2.579 1.00 0.00 C ATOM 811 O ALA A 60 2.596 -3.503 3.729 1.00 0.00 O ATOM 812 CB ALA A 60 -0.260 -3.822 2.830 1.00 0.00 C ATOM 0 H ALA A 60 0.841 -6.047 2.944 1.00 0.00 H new ATOM 0 HA ALA A 60 0.873 -3.894 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.451 -2.751 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.103 -4.366 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.133 -4.109 3.874 1.00 0.00 H new ATOM 818 N ARG A 61 2.729 -2.470 1.730 1.00 0.00 N ATOM 819 CA ARG A 61 3.850 -1.622 2.120 1.00 0.00 C ATOM 820 C ARG A 61 3.744 -0.264 1.435 1.00 0.00 C ATOM 821 O ARG A 61 3.626 -0.179 0.212 1.00 0.00 O ATOM 822 CB ARG A 61 5.193 -2.298 1.797 1.00 0.00 C ATOM 823 CG ARG A 61 5.444 -2.529 0.314 1.00 0.00 C ATOM 824 CD ARG A 61 6.893 -2.915 0.056 1.00 0.00 C ATOM 825 NE ARG A 61 7.304 -4.070 0.850 1.00 0.00 N ATOM 826 CZ ARG A 61 8.457 -4.141 1.507 1.00 0.00 C ATOM 827 NH1 ARG A 61 9.308 -3.125 1.476 1.00 0.00 N ATOM 828 NH2 ARG A 61 8.759 -5.229 2.202 1.00 0.00 N ATOM 0 H ARG A 61 2.410 -2.333 0.771 1.00 0.00 H new ATOM 0 HA ARG A 61 3.809 -1.470 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.000 -1.684 2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.236 -3.257 2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.784 -3.316 -0.051 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.201 -1.625 -0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.025 -3.138 -1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.540 -2.068 0.287 1.00 0.00 H new ATOM 0 HE ARG A 61 6.670 -4.867 0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.079 -2.284 0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.192 -3.184 1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.106 -6.012 2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.644 -5.283 2.706 1.00 0.00 H new ATOM 842 N CYS A 62 3.773 0.799 2.232 1.00 0.00 N ATOM 843 CA CYS A 62 3.660 2.152 1.703 1.00 0.00 C ATOM 844 C CYS A 62 5.041 2.742 1.424 1.00 0.00 C ATOM 845 O CYS A 62 5.775 3.087 2.351 1.00 0.00 O ATOM 846 CB CYS A 62 2.897 3.040 2.686 1.00 0.00 C ATOM 847 SG CYS A 62 2.312 4.598 1.964 1.00 0.00 S ATOM 0 H CYS A 62 3.874 0.749 3.246 1.00 0.00 H new ATOM 0 HA CYS A 62 3.109 2.108 0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.042 2.486 3.073 1.00 0.00 H new ATOM 0 HB3 CYS A 62 3.543 3.264 3.535 1.00 0.00 H new ATOM 852 N CYS A 63 5.389 2.855 0.143 1.00 0.00 N ATOM 853 CA CYS A 63 6.691 3.392 -0.251 1.00 0.00 C ATOM 854 C CYS A 63 6.605 4.866 -0.632 1.00 0.00 C ATOM 855 O CYS A 63 5.574 5.345 -1.105 1.00 0.00 O ATOM 856 CB CYS A 63 7.273 2.591 -1.421 1.00 0.00 C ATOM 857 SG CYS A 63 7.805 0.898 -0.992 1.00 0.00 S ATOM 0 H CYS A 63 4.791 2.583 -0.637 1.00 0.00 H new ATOM 0 HA CYS A 63 7.350 3.303 0.613 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.526 2.533 -2.212 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.126 3.134 -1.827 1.00 0.00 H new ATOM 862 N VAL A 64 7.710 5.572 -0.418 1.00 0.00 N ATOM 863 CA VAL A 64 7.809 6.992 -0.726 1.00 0.00 C ATOM 864 C VAL A 64 8.492 7.210 -2.074 1.00 0.00 C ATOM 865 O VAL A 64 9.329 6.411 -2.497 1.00 0.00 O ATOM 866 CB VAL A 64 8.572 7.739 0.399 1.00 0.00 C ATOM 867 CG1 VAL A 64 9.426 6.784 1.205 1.00 0.00 C ATOM 868 CG2 VAL A 64 9.432 8.864 -0.146 1.00 0.00 C ATOM 0 H VAL A 64 8.563 5.174 -0.025 1.00 0.00 H new ATOM 0 HA VAL A 64 6.799 7.398 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 64 7.817 8.178 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.949 7.335 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.791 6.024 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.153 6.305 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.948 9.359 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.166 8.457 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.801 9.585 -0.665 1.00 0.00 H new ATOM 878 N LEU A 65 8.117 8.298 -2.739 1.00 0.00 N ATOM 879 CA LEU A 65 8.672 8.644 -4.046 1.00 0.00 C ATOM 880 C LEU A 65 10.201 8.581 -4.037 1.00 0.00 C ATOM 881 O LEU A 65 10.837 9.024 -3.081 1.00 0.00 O ATOM 882 CB LEU A 65 8.212 10.043 -4.454 1.00 0.00 C ATOM 883 CG LEU A 65 6.914 10.094 -5.260 1.00 0.00 C ATOM 884 CD1 LEU A 65 6.349 11.503 -5.268 1.00 0.00 C ATOM 885 CD2 LEU A 65 7.146 9.607 -6.685 1.00 0.00 C ATOM 0 H LEU A 65 7.425 8.962 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 65 8.308 7.915 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.085 10.643 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.003 10.511 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 65 6.190 9.432 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.425 11.521 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.143 11.818 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.072 12.183 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.210 9.651 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.887 10.242 -7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.507 8.579 -6.664 1.00 0.00 H new ATOM 897 N PRO A 66 10.812 8.027 -5.106 1.00 0.00 N ATOM 898 CA PRO A 66 12.274 7.911 -5.209 1.00 0.00 C ATOM 899 C PRO A 66 12.970 9.267 -5.211 1.00 0.00 C ATOM 900 O PRO A 66 12.571 10.180 -5.934 1.00 0.00 O ATOM 901 CB PRO A 66 12.496 7.207 -6.554 1.00 0.00 C ATOM 902 CG PRO A 66 11.186 6.575 -6.885 1.00 0.00 C ATOM 903 CD PRO A 66 10.138 7.470 -6.291 1.00 0.00 C ATOM 0 HA PRO A 66 12.689 7.373 -4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.797 7.916 -7.325 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.287 6.460 -6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.057 6.484 -7.964 1.00 0.00 H new ATOM 0 HG3 PRO A 66 11.122 5.569 -6.471 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.833 8.252 -6.987 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.239 6.915 -6.021 1.00 0.00 H new ATOM 911 N ILE A 67 14.018 9.387 -4.402 1.00 0.00 N ATOM 912 CA ILE A 67 14.782 10.626 -4.308 1.00 0.00 C ATOM 913 C ILE A 67 16.279 10.347 -4.411 1.00 0.00 C ATOM 914 O ILE A 67 16.892 9.854 -3.467 1.00 0.00 O ATOM 915 CB ILE A 67 14.497 11.366 -2.987 1.00 0.00 C ATOM 916 CG1 ILE A 67 13.000 11.657 -2.840 1.00 0.00 C ATOM 917 CG2 ILE A 67 15.303 12.656 -2.911 1.00 0.00 C ATOM 918 CD1 ILE A 67 12.440 12.540 -3.933 1.00 0.00 C ATOM 0 H ILE A 67 14.359 8.638 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 67 14.470 11.258 -5.139 1.00 0.00 H new ATOM 0 HB ILE A 67 14.802 10.721 -2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 67 12.455 10.713 -2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.825 12.133 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 67 15.088 13.164 -1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.367 12.424 -2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.032 13.304 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.376 12.701 -3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.958 13.499 -3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.582 12.057 -4.900 1.00 0.00 H new ATOM 930 N LEU A 68 16.858 10.657 -5.568 1.00 0.00 N ATOM 931 CA LEU A 68 18.282 10.438 -5.796 1.00 0.00 C ATOM 932 C LEU A 68 19.121 11.035 -4.670 1.00 0.00 C ATOM 933 O LEU A 68 19.063 12.236 -4.407 1.00 0.00 O ATOM 934 CB LEU A 68 18.702 11.046 -7.138 1.00 0.00 C ATOM 935 CG LEU A 68 18.968 10.060 -8.289 1.00 0.00 C ATOM 936 CD1 LEU A 68 17.962 8.927 -8.269 1.00 0.00 C ATOM 937 CD2 LEU A 68 18.914 10.786 -9.612 1.00 0.00 C ATOM 0 H LEU A 68 16.362 11.061 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 68 18.457 9.362 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 68 17.923 11.739 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 68 19.606 11.634 -6.978 1.00 0.00 H new ATOM 0 HG LEU A 68 19.963 9.634 -8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 68 18.169 8.242 -9.091 1.00 0.00 H new ATOM 0 HD12 LEU A 68 18.036 8.391 -7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 68 16.956 9.332 -8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.103 10.081 -10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.928 11.232 -9.742 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.672 11.569 -9.628 1.00 0.00 H new ATOM 949 N GLY A 69 19.900 10.183 -4.012 1.00 0.00 N ATOM 950 CA GLY A 69 20.746 10.637 -2.921 1.00 0.00 C ATOM 951 C GLY A 69 20.401 9.980 -1.598 1.00 0.00 C ATOM 952 O GLY A 69 21.151 10.098 -0.627 1.00 0.00 O ATOM 0 H GLY A 69 19.961 9.185 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 69 21.788 10.429 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 69 20.652 11.718 -2.820 1.00 0.00 H new ATOM 956 N GLN A 70 19.269 9.285 -1.556 1.00 0.00 N ATOM 957 CA GLN A 70 18.830 8.613 -0.339 1.00 0.00 C ATOM 958 C GLN A 70 18.337 7.208 -0.631 1.00 0.00 C ATOM 959 O GLN A 70 18.120 6.829 -1.782 1.00 0.00 O ATOM 960 CB GLN A 70 17.718 9.415 0.344 1.00 0.00 C ATOM 961 CG GLN A 70 16.391 9.367 -0.401 1.00 0.00 C ATOM 962 CD GLN A 70 15.327 10.245 0.231 1.00 0.00 C ATOM 963 OE1 GLN A 70 14.141 9.919 0.198 1.00 0.00 O ATOM 964 NE2 GLN A 70 15.745 11.371 0.797 1.00 0.00 N ATOM 0 H GLN A 70 18.639 9.173 -2.351 1.00 0.00 H new ATOM 0 HA GLN A 70 19.690 8.546 0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.573 9.032 1.354 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.035 10.453 0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.548 9.681 -1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.034 8.337 -0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.739 11.601 0.801 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.072 12.006 1.228 1.00 0.00 H new ATOM 973 N ASP A 71 18.169 6.447 0.436 1.00 0.00 N ATOM 974 CA ASP A 71 17.696 5.070 0.341 1.00 0.00 C ATOM 975 C ASP A 71 16.175 5.035 0.211 1.00 0.00 C ATOM 976 O ASP A 71 15.506 6.047 0.414 1.00 0.00 O ATOM 977 CB ASP A 71 18.139 4.278 1.576 1.00 0.00 C ATOM 978 CG ASP A 71 17.757 2.813 1.497 1.00 0.00 C ATOM 979 OD1 ASP A 71 18.520 2.032 0.890 1.00 0.00 O ATOM 980 OD2 ASP A 71 16.695 2.446 2.043 1.00 0.00 O ATOM 0 H ASP A 71 18.354 6.760 1.389 1.00 0.00 H new ATOM 0 HA ASP A 71 18.129 4.613 -0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.220 4.362 1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.690 4.719 2.466 1.00 0.00 H new ATOM 985 N ILE A 72 15.635 3.870 -0.137 1.00 0.00 N ATOM 986 CA ILE A 72 14.193 3.714 -0.292 1.00 0.00 C ATOM 987 C ILE A 72 13.524 3.445 1.058 1.00 0.00 C ATOM 988 O ILE A 72 13.895 2.516 1.777 1.00 0.00 O ATOM 989 CB ILE A 72 13.847 2.585 -1.297 1.00 0.00 C ATOM 990 CG1 ILE A 72 12.358 2.631 -1.652 1.00 0.00 C ATOM 991 CG2 ILE A 72 14.218 1.213 -0.741 1.00 0.00 C ATOM 992 CD1 ILE A 72 11.968 1.675 -2.761 1.00 0.00 C ATOM 0 H ILE A 72 16.173 3.022 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 72 13.807 4.651 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 72 14.433 2.748 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.774 2.399 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.095 3.646 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.963 0.444 -1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 72 15.289 1.180 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.668 1.034 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.900 1.763 -2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.525 1.920 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.198 0.653 -2.459 1.00 0.00 H new ATOM 1004 N LEU A 73 12.544 4.278 1.406 1.00 0.00 N ATOM 1005 CA LEU A 73 11.825 4.141 2.661 1.00 0.00 C ATOM 1006 C LEU A 73 10.472 3.474 2.426 1.00 0.00 C ATOM 1007 O LEU A 73 9.703 3.892 1.562 1.00 0.00 O ATOM 1008 CB LEU A 73 11.632 5.517 3.323 1.00 0.00 C ATOM 1009 CG LEU A 73 12.895 6.168 3.905 1.00 0.00 C ATOM 1010 CD1 LEU A 73 13.610 5.228 4.866 1.00 0.00 C ATOM 1011 CD2 LEU A 73 13.834 6.608 2.793 1.00 0.00 C ATOM 0 H LEU A 73 12.232 5.059 0.828 1.00 0.00 H new ATOM 0 HA LEU A 73 12.413 3.513 3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.204 6.196 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.899 5.413 4.123 1.00 0.00 H new ATOM 0 HG LEU A 73 12.585 7.049 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.500 5.719 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.942 4.972 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.901 4.320 4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.722 7.067 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.126 5.742 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.328 7.332 2.154 1.00 0.00 H new ATOM 1023 N CYS A 74 10.196 2.428 3.192 1.00 0.00 N ATOM 1024 CA CYS A 74 8.927 1.699 3.067 1.00 0.00 C ATOM 1025 C CYS A 74 8.636 0.874 4.319 1.00 0.00 C ATOM 1026 O CYS A 74 9.505 0.156 4.814 1.00 0.00 O ATOM 1027 CB CYS A 74 8.929 0.781 1.830 1.00 0.00 C ATOM 1028 SG CYS A 74 7.324 0.702 0.971 1.00 0.00 S ATOM 0 H CYS A 74 10.826 2.061 3.905 1.00 0.00 H new ATOM 0 HA CYS A 74 8.141 2.445 2.948 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.688 1.131 1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 74 9.217 -0.225 2.136 1.00 0.00 H new ATOM 1033 N GLN A 75 7.404 0.977 4.826 1.00 0.00 N ATOM 1034 CA GLN A 75 6.996 0.232 6.019 1.00 0.00 C ATOM 1035 C GLN A 75 5.495 -0.048 5.993 1.00 0.00 C ATOM 1036 O GLN A 75 4.757 0.540 5.203 1.00 0.00 O ATOM 1037 CB GLN A 75 7.352 0.995 7.309 1.00 0.00 C ATOM 1038 CG GLN A 75 8.834 1.338 7.446 1.00 0.00 C ATOM 1039 CD GLN A 75 9.159 1.979 8.781 1.00 0.00 C ATOM 1040 OE1 GLN A 75 9.504 1.294 9.744 1.00 0.00 O ATOM 1041 NE2 GLN A 75 9.041 3.298 8.846 1.00 0.00 N ATOM 0 H GLN A 75 6.674 1.568 4.429 1.00 0.00 H new ATOM 0 HA GLN A 75 7.540 -0.712 6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.773 1.918 7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.049 0.396 8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.426 0.431 7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 75 9.123 2.014 6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.752 3.825 8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.239 3.785 9.720 1.00 0.00 H new ATOM 1050 N THR A 76 5.057 -0.952 6.863 1.00 0.00 N ATOM 1051 CA THR A 76 3.652 -1.322 6.950 1.00 0.00 C ATOM 1052 C THR A 76 2.951 -0.512 8.044 1.00 0.00 C ATOM 1053 O THR A 76 3.510 -0.319 9.124 1.00 0.00 O ATOM 1054 CB THR A 76 3.509 -2.825 7.250 1.00 0.00 C ATOM 1055 OG1 THR A 76 4.215 -3.589 6.265 1.00 0.00 O ATOM 1056 CG2 THR A 76 2.051 -3.247 7.267 1.00 0.00 C ATOM 0 H THR A 76 5.661 -1.444 7.521 1.00 0.00 H new ATOM 0 HA THR A 76 3.184 -1.104 5.990 1.00 0.00 H new ATOM 0 HB THR A 76 3.933 -3.012 8.236 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.712 -3.583 5.424 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.983 -4.314 7.481 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.519 -2.688 8.037 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.602 -3.043 6.295 1.00 0.00 H new ATOM 1064 N PRO A 77 1.718 -0.027 7.788 1.00 0.00 N ATOM 1065 CA PRO A 77 0.976 0.771 8.763 1.00 0.00 C ATOM 1066 C PRO A 77 0.266 -0.084 9.807 1.00 0.00 C ATOM 1067 O PRO A 77 -0.325 -1.115 9.485 1.00 0.00 O ATOM 1068 CB PRO A 77 -0.038 1.508 7.895 1.00 0.00 C ATOM 1069 CG PRO A 77 -0.319 0.571 6.771 1.00 0.00 C ATOM 1070 CD PRO A 77 0.950 -0.214 6.538 1.00 0.00 C ATOM 0 HA PRO A 77 1.629 1.424 9.341 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.944 1.740 8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.364 2.454 7.532 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.146 -0.094 7.018 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.607 1.118 5.873 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.740 -1.267 6.352 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.498 0.159 5.673 1.00 0.00 H new ATOM 1078 N ALA A 78 0.337 0.356 11.063 1.00 0.00 N ATOM 1079 CA ALA A 78 -0.297 -0.350 12.175 1.00 0.00 C ATOM 1080 C ALA A 78 0.294 -1.743 12.377 1.00 0.00 C ATOM 1081 O ALA A 78 -0.156 -2.493 13.245 1.00 0.00 O ATOM 1082 CB ALA A 78 -1.801 -0.438 11.960 1.00 0.00 C ATOM 0 H ALA A 78 0.832 1.205 11.337 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.100 0.224 13.081 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.258 -0.966 12.797 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.218 0.567 11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.005 -0.977 11.035 1.00 0.00 H new ATOM 1088 N GLY A 79 1.301 -2.087 11.579 1.00 0.00 N ATOM 1089 CA GLY A 79 1.929 -3.386 11.695 1.00 0.00 C ATOM 1090 C GLY A 79 1.036 -4.502 11.196 1.00 0.00 C ATOM 1091 O GLY A 79 0.998 -5.585 11.781 1.00 0.00 O ATOM 0 H GLY A 79 1.692 -1.486 10.854 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.861 -3.389 11.129 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.189 -3.570 12.738 1.00 0.00 H new ATOM 1095 N LEU A 80 0.315 -4.233 10.113 1.00 0.00 N ATOM 1096 CA LEU A 80 -0.591 -5.216 9.523 1.00 0.00 C ATOM 1097 C LEU A 80 0.119 -6.545 9.281 1.00 0.00 C ATOM 1098 O LEU A 80 -0.061 -7.469 10.103 1.00 0.00 O ATOM 1099 CB LEU A 80 -1.163 -4.686 8.210 1.00 0.00 C ATOM 1100 CG LEU A 80 -2.092 -3.484 8.350 1.00 0.00 C ATOM 1101 CD1 LEU A 80 -2.184 -2.731 7.039 1.00 0.00 C ATOM 1102 CD2 LEU A 80 -3.470 -3.935 8.806 1.00 0.00 C ATOM 1103 OXT LEU A 80 0.849 -6.650 8.274 1.00 0.00 O ATOM 0 H LEU A 80 0.340 -3.339 9.623 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.405 -5.387 10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.336 -4.413 7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.707 -5.491 7.717 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.681 -2.811 9.103 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.851 -1.877 7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.193 -2.381 6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.575 -3.393 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.123 -3.068 8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.888 -4.625 8.073 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.388 -4.436 9.770 1.00 0.00 H new TER 1115 LEU A 80