USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 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 -23:sc= -0.539 USER MOD Set 1.2: A 75 GLN : amide:sc= -0.13 K(o=-0.67,f=-1.9) USER MOD Single : A 1 SER N :NH3+ 154:sc= -0.0136 (180deg=-0.321) USER MOD Single : A 1 SER OG : rot 60:sc= 0.431 USER MOD Single : A 5 MET CE :methyl 163:sc= -0.0984 (180deg=-0.516) USER MOD Single : A 8 GLN : amide:sc= -4.03! K(o=-4!,f=-0.11) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.162 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= -1.38! K(o=-1.4!,f=-2) USER MOD Single : A 26 THR OG1 : rot 129:sc= -0.455 USER MOD Single : A 38 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.18) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.25 K(o=-1.2,f=-9.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -2.08! C(o=-2.1!,f=-3.4!) USER MOD Single : A 51 SER OG : rot 74:sc= 0.468 USER MOD Single : A 52 THR OG1 : rot 59:sc= 0.0538 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 70 GLN : amide:sc= -2.37! K(o=-2.4!,f=-1.2) USER MOD Single : A 76 THR OG1 : rot -62:sc= 0.816 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.405 15.210 -12.200 1.00 0.00 N ATOM 2 CA SER A 1 -12.945 14.112 -11.357 1.00 0.00 C ATOM 3 C SER A 1 -14.247 14.538 -10.675 1.00 0.00 C ATOM 4 O SER A 1 -14.273 14.778 -9.468 1.00 0.00 O ATOM 5 CB SER A 1 -11.913 13.700 -10.304 1.00 0.00 C ATOM 6 OG SER A 1 -11.534 14.803 -9.496 1.00 0.00 O ATOM 0 H1 SER A 1 -11.374 15.103 -12.291 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.842 15.171 -13.143 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.620 16.126 -11.757 1.00 0.00 H new ATOM 0 HA SER A 1 -13.158 13.260 -12.002 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.326 12.911 -9.676 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.032 13.287 -10.796 1.00 0.00 H new ATOM 0 HG SER A 1 -12.324 15.161 -9.040 1.00 0.00 H new ATOM 11 N PRO A 2 -15.347 14.640 -11.447 1.00 0.00 N ATOM 12 CA PRO A 2 -16.656 15.038 -10.915 1.00 0.00 C ATOM 13 C PRO A 2 -17.150 14.098 -9.819 1.00 0.00 C ATOM 14 O PRO A 2 -17.835 13.113 -10.095 1.00 0.00 O ATOM 15 CB PRO A 2 -17.587 14.972 -12.134 1.00 0.00 C ATOM 16 CG PRO A 2 -16.865 14.133 -13.132 1.00 0.00 C ATOM 17 CD PRO A 2 -15.405 14.382 -12.894 1.00 0.00 C ATOM 0 HA PRO A 2 -16.615 16.023 -10.451 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -18.549 14.532 -11.871 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -17.789 15.967 -12.529 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -17.108 13.078 -13.005 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -17.148 14.405 -14.149 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.797 13.522 -13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.041 15.232 -13.471 1.00 0.00 H new ATOM 25 N ALA A 3 -16.798 14.409 -8.575 1.00 0.00 N ATOM 26 CA ALA A 3 -17.208 13.593 -7.437 1.00 0.00 C ATOM 27 C ALA A 3 -18.508 14.112 -6.832 1.00 0.00 C ATOM 28 O ALA A 3 -18.495 14.965 -5.945 1.00 0.00 O ATOM 29 CB ALA A 3 -16.109 13.563 -6.387 1.00 0.00 C ATOM 0 H ALA A 3 -16.230 15.220 -8.329 1.00 0.00 H new ATOM 0 HA ALA A 3 -17.383 12.577 -7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.428 12.951 -5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -15.203 13.139 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.907 14.577 -6.043 1.00 0.00 H new ATOM 35 N ALA A 4 -19.628 13.591 -7.321 1.00 0.00 N ATOM 36 CA ALA A 4 -20.939 14.002 -6.836 1.00 0.00 C ATOM 37 C ALA A 4 -21.529 12.966 -5.884 1.00 0.00 C ATOM 38 O ALA A 4 -22.216 13.314 -4.924 1.00 0.00 O ATOM 39 CB ALA A 4 -21.878 14.237 -8.009 1.00 0.00 C ATOM 0 H ALA A 4 -19.653 12.882 -8.054 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.819 14.933 -6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -22.855 14.544 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.471 15.020 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.981 13.316 -8.583 1.00 0.00 H new ATOM 45 N MET A 5 -21.256 11.692 -6.154 1.00 0.00 N ATOM 46 CA MET A 5 -21.771 10.608 -5.317 1.00 0.00 C ATOM 47 C MET A 5 -20.637 9.936 -4.545 1.00 0.00 C ATOM 48 O MET A 5 -20.842 9.414 -3.448 1.00 0.00 O ATOM 49 CB MET A 5 -22.534 9.576 -6.168 1.00 0.00 C ATOM 50 CG MET A 5 -22.480 8.157 -5.621 1.00 0.00 C ATOM 51 SD MET A 5 -23.524 7.014 -6.547 1.00 0.00 S ATOM 52 CE MET A 5 -22.793 7.132 -8.178 1.00 0.00 C ATOM 0 H MET A 5 -20.685 11.384 -6.941 1.00 0.00 H new ATOM 0 HA MET A 5 -22.467 11.037 -4.597 1.00 0.00 H new ATOM 0 HB2 MET A 5 -23.577 9.885 -6.245 1.00 0.00 H new ATOM 0 HB3 MET A 5 -22.125 9.580 -7.178 1.00 0.00 H new ATOM 0 HG2 MET A 5 -21.450 7.802 -5.644 1.00 0.00 H new ATOM 0 HG3 MET A 5 -22.792 8.162 -4.577 1.00 0.00 H new ATOM 0 HE1 MET A 5 -23.114 6.284 -8.783 1.00 0.00 H new ATOM 0 HE2 MET A 5 -23.113 8.059 -8.654 1.00 0.00 H new ATOM 0 HE3 MET A 5 -21.706 7.125 -8.091 1.00 0.00 H new ATOM 62 N GLU A 6 -19.442 9.957 -5.125 1.00 0.00 N ATOM 63 CA GLU A 6 -18.277 9.347 -4.497 1.00 0.00 C ATOM 64 C GLU A 6 -17.746 10.223 -3.363 1.00 0.00 C ATOM 65 O GLU A 6 -18.426 11.144 -2.911 1.00 0.00 O ATOM 66 CB GLU A 6 -17.183 9.108 -5.538 1.00 0.00 C ATOM 67 CG GLU A 6 -17.695 8.454 -6.812 1.00 0.00 C ATOM 68 CD GLU A 6 -16.575 7.986 -7.720 1.00 0.00 C ATOM 69 OE1 GLU A 6 -16.003 6.910 -7.451 1.00 0.00 O ATOM 70 OE2 GLU A 6 -16.271 8.697 -8.701 1.00 0.00 O ATOM 0 H GLU A 6 -19.255 10.390 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.579 8.389 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.716 10.061 -5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.407 8.479 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.325 7.604 -6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.323 9.162 -7.352 1.00 0.00 H new ATOM 77 N ARG A 7 -16.531 9.923 -2.907 1.00 0.00 N ATOM 78 CA ARG A 7 -15.904 10.677 -1.823 1.00 0.00 C ATOM 79 C ARG A 7 -16.028 12.180 -2.052 1.00 0.00 C ATOM 80 O ARG A 7 -15.449 12.735 -2.987 1.00 0.00 O ATOM 81 CB ARG A 7 -14.423 10.288 -1.676 1.00 0.00 C ATOM 82 CG ARG A 7 -13.628 10.367 -2.973 1.00 0.00 C ATOM 83 CD ARG A 7 -13.730 9.078 -3.775 1.00 0.00 C ATOM 84 NE ARG A 7 -13.170 7.941 -3.051 1.00 0.00 N ATOM 85 CZ ARG A 7 -13.042 6.723 -3.571 1.00 0.00 C ATOM 86 NH1 ARG A 7 -13.427 6.487 -4.818 1.00 0.00 N ATOM 87 NH2 ARG A 7 -12.526 5.742 -2.843 1.00 0.00 N ATOM 0 H ARG A 7 -15.960 9.161 -3.273 1.00 0.00 H new ATOM 0 HA ARG A 7 -16.428 10.426 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -13.958 10.941 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.362 9.272 -1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -13.994 11.199 -3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -12.582 10.573 -2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -14.775 8.879 -4.011 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -13.206 9.198 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.859 8.089 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -13.822 7.240 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -13.328 5.552 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.227 5.921 -1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.428 4.808 -3.242 1.00 0.00 H new ATOM 101 N GLN A 8 -16.802 12.828 -1.186 1.00 0.00 N ATOM 102 CA GLN A 8 -17.020 14.267 -1.266 1.00 0.00 C ATOM 103 C GLN A 8 -15.700 15.035 -1.291 1.00 0.00 C ATOM 104 O GLN A 8 -15.506 15.924 -2.119 1.00 0.00 O ATOM 105 CB GLN A 8 -17.894 14.731 -0.090 1.00 0.00 C ATOM 106 CG GLN A 8 -17.195 14.753 1.267 1.00 0.00 C ATOM 107 CD GLN A 8 -17.127 13.382 1.912 1.00 0.00 C ATOM 108 OE1 GLN A 8 -18.034 12.984 2.644 1.00 0.00 O ATOM 109 NE2 GLN A 8 -16.048 12.654 1.647 1.00 0.00 N ATOM 0 H GLN A 8 -17.292 12.374 -0.415 1.00 0.00 H new ATOM 0 HA GLN A 8 -17.538 14.479 -2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -18.265 15.733 -0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -18.763 14.077 -0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.185 15.143 1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -17.722 15.437 1.932 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.321 13.024 1.035 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.946 11.725 2.056 1.00 0.00 H new ATOM 118 N VAL A 9 -14.801 14.690 -0.380 1.00 0.00 N ATOM 119 CA VAL A 9 -13.502 15.344 -0.301 1.00 0.00 C ATOM 120 C VAL A 9 -12.427 14.525 -1.018 1.00 0.00 C ATOM 121 O VAL A 9 -12.541 13.305 -1.138 1.00 0.00 O ATOM 122 CB VAL A 9 -13.092 15.588 1.173 1.00 0.00 C ATOM 123 CG1 VAL A 9 -11.781 14.895 1.524 1.00 0.00 C ATOM 124 CG2 VAL A 9 -13.004 17.080 1.462 1.00 0.00 C ATOM 0 H VAL A 9 -14.948 13.959 0.316 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.590 16.309 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.867 15.152 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.532 15.093 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.886 13.820 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.986 15.275 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.715 17.233 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.260 17.534 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.974 17.543 1.283 1.00 0.00 H new ATOM 134 N PRO A 10 -11.370 15.199 -1.508 1.00 0.00 N ATOM 135 CA PRO A 10 -10.263 14.544 -2.211 1.00 0.00 C ATOM 136 C PRO A 10 -9.707 13.350 -1.442 1.00 0.00 C ATOM 137 O PRO A 10 -9.291 13.482 -0.290 1.00 0.00 O ATOM 138 CB PRO A 10 -9.203 15.637 -2.310 1.00 0.00 C ATOM 139 CG PRO A 10 -9.958 16.922 -2.249 1.00 0.00 C ATOM 140 CD PRO A 10 -11.181 16.657 -1.411 1.00 0.00 C ATOM 0 HA PRO A 10 -10.582 14.145 -3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.484 15.564 -1.494 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.639 15.555 -3.239 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.348 17.710 -1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.237 17.256 -3.248 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.033 16.973 -0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.049 17.198 -1.789 1.00 0.00 H new ATOM 148 N TYR A 11 -9.702 12.189 -2.086 1.00 0.00 N ATOM 149 CA TYR A 11 -9.193 10.974 -1.468 1.00 0.00 C ATOM 150 C TYR A 11 -7.686 11.069 -1.253 1.00 0.00 C ATOM 151 O TYR A 11 -6.991 11.782 -1.977 1.00 0.00 O ATOM 152 CB TYR A 11 -9.522 9.766 -2.343 1.00 0.00 C ATOM 153 CG TYR A 11 -9.582 8.470 -1.575 1.00 0.00 C ATOM 154 CD1 TYR A 11 -10.723 8.121 -0.867 1.00 0.00 C ATOM 155 CD2 TYR A 11 -8.504 7.597 -1.557 1.00 0.00 C ATOM 156 CE1 TYR A 11 -10.787 6.939 -0.159 1.00 0.00 C ATOM 157 CE2 TYR A 11 -8.560 6.413 -0.851 1.00 0.00 C ATOM 158 CZ TYR A 11 -9.704 6.086 -0.153 1.00 0.00 C ATOM 159 OH TYR A 11 -9.765 4.907 0.551 1.00 0.00 O ATOM 0 H TYR A 11 -10.046 12.065 -3.038 1.00 0.00 H new ATOM 0 HA TYR A 11 -9.673 10.853 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.480 9.933 -2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -8.771 9.680 -3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.575 8.785 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.607 7.848 -2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.682 6.683 0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.712 5.745 -0.845 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.919 4.422 0.451 1.00 0.00 H new ATOM 169 N THR A 12 -7.188 10.346 -0.255 1.00 0.00 N ATOM 170 CA THR A 12 -5.762 10.350 0.053 1.00 0.00 C ATOM 171 C THR A 12 -5.346 9.065 0.772 1.00 0.00 C ATOM 172 O THR A 12 -5.583 8.918 1.970 1.00 0.00 O ATOM 173 CB THR A 12 -5.384 11.560 0.929 1.00 0.00 C ATOM 174 OG1 THR A 12 -5.773 12.776 0.279 1.00 0.00 O ATOM 175 CG2 THR A 12 -3.888 11.584 1.203 1.00 0.00 C ATOM 0 H THR A 12 -7.750 9.751 0.354 1.00 0.00 H new ATOM 0 HA THR A 12 -5.233 10.416 -0.898 1.00 0.00 H new ATOM 0 HB THR A 12 -5.911 11.471 1.879 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.531 13.540 0.843 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.645 12.447 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.599 10.671 1.723 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.346 11.651 0.260 1.00 0.00 H new ATOM 183 N PRO A 13 -4.720 8.116 0.048 1.00 0.00 N ATOM 184 CA PRO A 13 -4.269 6.844 0.627 1.00 0.00 C ATOM 185 C PRO A 13 -3.002 7.003 1.460 1.00 0.00 C ATOM 186 O PRO A 13 -2.340 8.034 1.379 1.00 0.00 O ATOM 187 CB PRO A 13 -4.000 5.995 -0.605 1.00 0.00 C ATOM 188 CG PRO A 13 -3.512 6.988 -1.578 1.00 0.00 C ATOM 189 CD PRO A 13 -4.395 8.190 -1.389 1.00 0.00 C ATOM 0 HA PRO A 13 -4.999 6.415 1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.259 5.220 -0.410 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.901 5.492 -0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.466 7.235 -1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.578 6.607 -2.597 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.881 9.117 -1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.288 8.141 -2.011 1.00 0.00 H new ATOM 197 N CYS A 14 -2.689 5.964 2.245 1.00 0.00 N ATOM 198 CA CYS A 14 -1.502 5.935 3.131 1.00 0.00 C ATOM 199 C CYS A 14 -0.930 7.330 3.377 1.00 0.00 C ATOM 200 O CYS A 14 -0.282 7.908 2.503 1.00 0.00 O ATOM 201 CB CYS A 14 -0.406 5.021 2.552 1.00 0.00 C ATOM 202 SG CYS A 14 1.289 5.494 3.027 1.00 0.00 S ATOM 0 H CYS A 14 -3.250 5.113 2.289 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.837 5.536 4.088 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.591 3.998 2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.481 5.026 1.465 1.00 0.00 H new ATOM 207 N SER A 15 -1.135 7.857 4.581 1.00 0.00 N ATOM 208 CA SER A 15 -0.632 9.188 4.910 1.00 0.00 C ATOM 209 C SER A 15 0.730 9.061 5.570 1.00 0.00 C ATOM 210 O SER A 15 0.863 8.480 6.648 1.00 0.00 O ATOM 211 CB SER A 15 -1.602 9.929 5.838 1.00 0.00 C ATOM 212 OG SER A 15 -2.948 9.707 5.454 1.00 0.00 O ATOM 0 H SER A 15 -1.639 7.391 5.336 1.00 0.00 H new ATOM 0 HA SER A 15 -0.541 9.766 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.454 9.595 6.865 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.386 10.997 5.816 1.00 0.00 H new ATOM 0 HG SER A 15 -3.546 10.189 6.063 1.00 0.00 H new ATOM 218 N GLY A 16 1.740 9.611 4.911 1.00 0.00 N ATOM 219 CA GLY A 16 3.086 9.515 5.411 1.00 0.00 C ATOM 220 C GLY A 16 4.116 10.031 4.435 1.00 0.00 C ATOM 221 O GLY A 16 3.794 10.702 3.454 1.00 0.00 O ATOM 0 H GLY A 16 1.645 10.124 4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.163 10.076 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.307 8.474 5.647 1.00 0.00 H new ATOM 225 N LEU A 17 5.362 9.703 4.726 1.00 0.00 N ATOM 226 CA LEU A 17 6.493 10.068 3.890 1.00 0.00 C ATOM 227 C LEU A 17 6.330 9.497 2.482 1.00 0.00 C ATOM 228 O LEU A 17 6.684 10.138 1.492 1.00 0.00 O ATOM 229 CB LEU A 17 7.772 9.515 4.532 1.00 0.00 C ATOM 230 CG LEU A 17 9.079 10.184 4.110 1.00 0.00 C ATOM 231 CD1 LEU A 17 9.454 9.798 2.688 1.00 0.00 C ATOM 232 CD2 LEU A 17 8.947 11.686 4.251 1.00 0.00 C ATOM 0 H LEU A 17 5.620 9.171 5.557 1.00 0.00 H new ATOM 0 HA LEU A 17 6.550 11.154 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.677 9.600 5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.840 8.452 4.300 1.00 0.00 H new ATOM 0 HG LEU A 17 9.881 9.838 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.388 10.288 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.579 8.717 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.664 10.112 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.880 12.163 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.136 12.041 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.730 11.936 5.289 1.00 0.00 H new ATOM 244 N TYR A 18 5.774 8.294 2.407 1.00 0.00 N ATOM 245 CA TYR A 18 5.592 7.605 1.127 1.00 0.00 C ATOM 246 C TYR A 18 4.336 8.074 0.394 1.00 0.00 C ATOM 247 O TYR A 18 4.329 8.216 -0.829 1.00 0.00 O ATOM 248 CB TYR A 18 5.514 6.106 1.400 1.00 0.00 C ATOM 249 CG TYR A 18 5.955 5.739 2.800 1.00 0.00 C ATOM 250 CD1 TYR A 18 7.303 5.667 3.123 1.00 0.00 C ATOM 251 CD2 TYR A 18 5.024 5.495 3.803 1.00 0.00 C ATOM 252 CE1 TYR A 18 7.714 5.361 4.404 1.00 0.00 C ATOM 253 CE2 TYR A 18 5.428 5.193 5.090 1.00 0.00 C ATOM 254 CZ TYR A 18 6.773 5.127 5.384 1.00 0.00 C ATOM 255 OH TYR A 18 7.180 4.833 6.665 1.00 0.00 O ATOM 0 H TYR A 18 5.440 7.771 3.217 1.00 0.00 H new ATOM 0 HA TYR A 18 6.438 7.837 0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.490 5.767 1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.136 5.577 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.043 5.854 2.359 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.970 5.542 3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.767 5.305 4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.694 5.010 5.861 1.00 0.00 H new ATOM 0 HH TYR A 18 8.091 4.473 6.644 1.00 0.00 H new ATOM 265 N GLY A 19 3.295 8.328 1.164 1.00 0.00 N ATOM 266 CA GLY A 19 2.036 8.839 0.636 1.00 0.00 C ATOM 267 C GLY A 19 1.366 7.971 -0.429 1.00 0.00 C ATOM 268 O GLY A 19 0.202 8.208 -0.757 1.00 0.00 O ATOM 0 H GLY A 19 3.294 8.187 2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.340 8.967 1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.214 9.828 0.214 1.00 0.00 H new ATOM 272 N THR A 20 2.067 6.974 -0.976 1.00 0.00 N ATOM 273 CA THR A 20 1.481 6.133 -2.020 1.00 0.00 C ATOM 274 C THR A 20 1.181 4.723 -1.523 1.00 0.00 C ATOM 275 O THR A 20 2.072 4.008 -1.070 1.00 0.00 O ATOM 276 CB THR A 20 2.398 6.039 -3.251 1.00 0.00 C ATOM 277 OG1 THR A 20 2.826 7.347 -3.646 1.00 0.00 O ATOM 278 CG2 THR A 20 1.668 5.371 -4.405 1.00 0.00 C ATOM 0 H THR A 20 3.024 6.733 -0.718 1.00 0.00 H new ATOM 0 HA THR A 20 0.544 6.614 -2.300 1.00 0.00 H new ATOM 0 HB THR A 20 3.269 5.439 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.411 7.277 -4.429 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.330 5.312 -5.269 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.365 4.366 -4.111 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.785 5.955 -4.664 1.00 0.00 H new ATOM 286 N ALA A 21 -0.077 4.316 -1.661 1.00 0.00 N ATOM 287 CA ALA A 21 -0.511 2.995 -1.215 1.00 0.00 C ATOM 288 C ALA A 21 -0.410 1.978 -2.346 1.00 0.00 C ATOM 289 O ALA A 21 -1.264 1.939 -3.232 1.00 0.00 O ATOM 290 CB ALA A 21 -1.940 3.065 -0.686 1.00 0.00 C ATOM 0 H ALA A 21 -0.815 4.882 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 21 0.148 2.669 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.255 2.075 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.984 3.758 0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.604 3.412 -1.478 1.00 0.00 H new ATOM 296 N GLN A 22 0.634 1.151 -2.309 1.00 0.00 N ATOM 297 CA GLN A 22 0.850 0.142 -3.345 1.00 0.00 C ATOM 298 C GLN A 22 1.064 -1.242 -2.734 1.00 0.00 C ATOM 299 O GLN A 22 0.939 -1.428 -1.523 1.00 0.00 O ATOM 300 CB GLN A 22 2.070 0.512 -4.193 1.00 0.00 C ATOM 301 CG GLN A 22 2.039 1.928 -4.749 1.00 0.00 C ATOM 302 CD GLN A 22 1.110 2.075 -5.939 1.00 0.00 C ATOM 303 OE1 GLN A 22 1.500 1.822 -7.080 1.00 0.00 O ATOM 304 NE2 GLN A 22 -0.120 2.501 -5.682 1.00 0.00 N ATOM 0 H GLN A 22 1.342 1.160 -1.575 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.041 0.113 -3.972 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.969 0.391 -3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.148 -0.190 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.725 2.615 -3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.047 2.219 -5.043 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.401 2.699 -4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.785 2.631 -6.445 1.00 0.00 H new ATOM 313 N CYS A 23 1.388 -2.208 -3.591 1.00 0.00 N ATOM 314 CA CYS A 23 1.639 -3.580 -3.161 1.00 0.00 C ATOM 315 C CYS A 23 2.981 -4.061 -3.705 1.00 0.00 C ATOM 316 O CYS A 23 3.160 -4.168 -4.919 1.00 0.00 O ATOM 317 CB CYS A 23 0.525 -4.514 -3.645 1.00 0.00 C ATOM 318 SG CYS A 23 -1.124 -4.129 -2.974 1.00 0.00 S ATOM 0 H CYS A 23 1.483 -2.063 -4.596 1.00 0.00 H new ATOM 0 HA CYS A 23 1.661 -3.597 -2.071 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.480 -4.472 -4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.783 -5.538 -3.376 1.00 0.00 H new ATOM 323 N CYS A 24 3.920 -4.349 -2.810 1.00 0.00 N ATOM 324 CA CYS A 24 5.243 -4.808 -3.228 1.00 0.00 C ATOM 325 C CYS A 24 5.653 -6.074 -2.485 1.00 0.00 C ATOM 326 O CYS A 24 5.133 -6.377 -1.412 1.00 0.00 O ATOM 327 CB CYS A 24 6.292 -3.711 -3.007 1.00 0.00 C ATOM 328 SG CYS A 24 5.977 -2.181 -3.945 1.00 0.00 S ATOM 0 H CYS A 24 3.794 -4.274 -1.801 1.00 0.00 H new ATOM 0 HA CYS A 24 5.188 -5.038 -4.292 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.333 -3.471 -1.945 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.272 -4.099 -3.284 1.00 0.00 H new ATOM 333 N ALA A 25 6.590 -6.809 -3.076 1.00 0.00 N ATOM 334 CA ALA A 25 7.088 -8.043 -2.490 1.00 0.00 C ATOM 335 C ALA A 25 8.330 -7.774 -1.652 1.00 0.00 C ATOM 336 O ALA A 25 8.933 -6.706 -1.748 1.00 0.00 O ATOM 337 CB ALA A 25 7.391 -9.059 -3.583 1.00 0.00 C ATOM 0 H ALA A 25 7.021 -6.566 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 25 6.318 -8.453 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.763 -9.979 -3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.481 -9.272 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.146 -8.654 -4.257 1.00 0.00 H new ATOM 343 N THR A 26 8.708 -8.748 -0.835 1.00 0.00 N ATOM 344 CA THR A 26 9.876 -8.603 0.026 1.00 0.00 C ATOM 345 C THR A 26 10.872 -9.744 -0.173 1.00 0.00 C ATOM 346 O THR A 26 10.509 -10.826 -0.637 1.00 0.00 O ATOM 347 CB THR A 26 9.479 -8.531 1.511 1.00 0.00 C ATOM 348 OG1 THR A 26 10.594 -8.093 2.290 1.00 0.00 O ATOM 349 CG2 THR A 26 9.010 -9.885 2.020 1.00 0.00 C ATOM 0 H THR A 26 8.226 -9.643 -0.750 1.00 0.00 H new ATOM 0 HA THR A 26 10.353 -7.666 -0.260 1.00 0.00 H new ATOM 0 HB THR A 26 8.657 -7.821 1.607 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.321 -7.343 2.858 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.736 -9.803 3.072 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.144 -10.210 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.813 -10.613 1.910 1.00 0.00 H new ATOM 357 N ASP A 27 12.132 -9.492 0.182 1.00 0.00 N ATOM 358 CA ASP A 27 13.188 -10.488 0.037 1.00 0.00 C ATOM 359 C ASP A 27 13.178 -11.476 1.198 1.00 0.00 C ATOM 360 O ASP A 27 12.251 -11.493 2.008 1.00 0.00 O ATOM 361 CB ASP A 27 14.553 -9.805 -0.052 1.00 0.00 C ATOM 362 CG ASP A 27 15.094 -9.407 1.306 1.00 0.00 C ATOM 363 OD1 ASP A 27 14.444 -8.585 1.982 1.00 0.00 O ATOM 364 OD2 ASP A 27 16.168 -9.914 1.690 1.00 0.00 O ATOM 0 H ASP A 27 12.445 -8.603 0.573 1.00 0.00 H new ATOM 0 HA ASP A 27 13.002 -11.040 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.260 -10.477 -0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.471 -8.918 -0.681 1.00 0.00 H new ATOM 369 N VAL A 28 14.220 -12.295 1.269 1.00 0.00 N ATOM 370 CA VAL A 28 14.344 -13.299 2.316 1.00 0.00 C ATOM 371 C VAL A 28 14.430 -12.687 3.713 1.00 0.00 C ATOM 372 O VAL A 28 13.738 -13.129 4.631 1.00 0.00 O ATOM 373 CB VAL A 28 15.567 -14.202 2.080 1.00 0.00 C ATOM 374 CG1 VAL A 28 15.290 -15.153 0.932 1.00 0.00 C ATOM 375 CG2 VAL A 28 16.813 -13.374 1.805 1.00 0.00 C ATOM 0 H VAL A 28 14.997 -12.282 0.608 1.00 0.00 H new ATOM 0 HA VAL A 28 13.434 -13.897 2.266 1.00 0.00 H new ATOM 0 HB VAL A 28 15.750 -14.783 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 28 16.159 -15.790 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.426 -15.773 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.085 -14.581 0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.662 -14.038 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.655 -12.762 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.016 -12.728 2.659 1.00 0.00 H new ATOM 385 N LEU A 29 15.274 -11.670 3.878 1.00 0.00 N ATOM 386 CA LEU A 29 15.446 -11.029 5.176 1.00 0.00 C ATOM 387 C LEU A 29 14.290 -10.078 5.490 1.00 0.00 C ATOM 388 O LEU A 29 14.057 -9.737 6.649 1.00 0.00 O ATOM 389 CB LEU A 29 16.780 -10.288 5.215 1.00 0.00 C ATOM 390 CG LEU A 29 17.977 -11.117 4.753 1.00 0.00 C ATOM 391 CD1 LEU A 29 19.213 -10.242 4.636 1.00 0.00 C ATOM 392 CD2 LEU A 29 18.221 -12.270 5.715 1.00 0.00 C ATOM 0 H LEU A 29 15.846 -11.275 3.132 1.00 0.00 H new ATOM 0 HA LEU A 29 15.446 -11.804 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.706 -9.399 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.962 -9.946 6.234 1.00 0.00 H new ATOM 0 HG LEU A 29 17.758 -11.531 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.057 -10.847 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.030 -9.449 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.440 -9.801 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 29 19.077 -12.853 5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.423 -11.876 6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.338 -12.908 5.750 1.00 0.00 H new ATOM 404 N GLY A 30 13.570 -9.652 4.451 1.00 0.00 N ATOM 405 CA GLY A 30 12.437 -8.762 4.650 1.00 0.00 C ATOM 406 C GLY A 30 12.680 -7.343 4.157 1.00 0.00 C ATOM 407 O GLY A 30 11.733 -6.578 3.979 1.00 0.00 O ATOM 0 H GLY A 30 13.751 -9.907 3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.569 -9.173 4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.192 -8.731 5.712 1.00 0.00 H new ATOM 411 N VAL A 31 13.943 -6.977 3.950 1.00 0.00 N ATOM 412 CA VAL A 31 14.274 -5.640 3.475 1.00 0.00 C ATOM 413 C VAL A 31 14.591 -5.649 1.982 1.00 0.00 C ATOM 414 O VAL A 31 15.647 -6.132 1.570 1.00 0.00 O ATOM 415 CB VAL A 31 15.476 -5.057 4.242 1.00 0.00 C ATOM 416 CG1 VAL A 31 15.772 -3.638 3.780 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.220 -5.095 5.742 1.00 0.00 C ATOM 0 H VAL A 31 14.748 -7.585 4.103 1.00 0.00 H new ATOM 0 HA VAL A 31 13.400 -5.014 3.652 1.00 0.00 H new ATOM 0 HB VAL A 31 16.351 -5.671 4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.624 -3.245 4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.003 -3.643 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.901 -3.008 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.079 -4.679 6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 31 14.332 -4.507 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.065 -6.126 6.059 1.00 0.00 H new ATOM 427 N ALA A 32 13.677 -5.098 1.181 1.00 0.00 N ATOM 428 CA ALA A 32 13.852 -5.029 -0.270 1.00 0.00 C ATOM 429 C ALA A 32 12.615 -4.454 -0.951 1.00 0.00 C ATOM 430 O ALA A 32 11.573 -4.266 -0.322 1.00 0.00 O ATOM 431 CB ALA A 32 14.159 -6.406 -0.842 1.00 0.00 C ATOM 0 H ALA A 32 12.804 -4.691 1.516 1.00 0.00 H new ATOM 0 HA ALA A 32 14.694 -4.365 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.285 -6.331 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.076 -6.789 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.336 -7.084 -0.619 1.00 0.00 H new ATOM 437 N ASP A 33 12.744 -4.176 -2.244 1.00 0.00 N ATOM 438 CA ASP A 33 11.645 -3.635 -3.038 1.00 0.00 C ATOM 439 C ASP A 33 11.536 -4.404 -4.351 1.00 0.00 C ATOM 440 O ASP A 33 12.226 -4.094 -5.322 1.00 0.00 O ATOM 441 CB ASP A 33 11.867 -2.143 -3.311 1.00 0.00 C ATOM 442 CG ASP A 33 10.706 -1.510 -4.048 1.00 0.00 C ATOM 443 OD1 ASP A 33 10.703 -1.548 -5.297 1.00 0.00 O ATOM 444 OD2 ASP A 33 9.798 -0.974 -3.378 1.00 0.00 O ATOM 0 H ASP A 33 13.607 -4.318 -2.769 1.00 0.00 H new ATOM 0 HA ASP A 33 10.715 -3.746 -2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.020 -1.623 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.778 -2.015 -3.896 1.00 0.00 H new ATOM 449 N LEU A 34 10.664 -5.409 -4.373 1.00 0.00 N ATOM 450 CA LEU A 34 10.489 -6.246 -5.556 1.00 0.00 C ATOM 451 C LEU A 34 9.057 -6.198 -6.080 1.00 0.00 C ATOM 452 O LEU A 34 8.106 -6.187 -5.303 1.00 0.00 O ATOM 453 CB LEU A 34 10.853 -7.690 -5.214 1.00 0.00 C ATOM 454 CG LEU A 34 11.958 -7.837 -4.170 1.00 0.00 C ATOM 455 CD1 LEU A 34 12.002 -9.257 -3.630 1.00 0.00 C ATOM 456 CD2 LEU A 34 13.302 -7.450 -4.764 1.00 0.00 C ATOM 0 H LEU A 34 10.068 -5.663 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 34 11.145 -5.861 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.960 -8.200 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.164 -8.198 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 34 11.739 -7.164 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.796 -9.340 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.046 -9.500 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.196 -9.951 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.079 -7.560 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.526 -8.098 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.267 -6.414 -5.100 1.00 0.00 H new ATOM 468 N ASP A 35 8.916 -6.172 -7.404 1.00 0.00 N ATOM 469 CA ASP A 35 7.602 -6.152 -8.041 1.00 0.00 C ATOM 470 C ASP A 35 6.686 -5.104 -7.417 1.00 0.00 C ATOM 471 O ASP A 35 5.864 -5.419 -6.557 1.00 0.00 O ATOM 472 CB ASP A 35 6.951 -7.533 -7.942 1.00 0.00 C ATOM 473 CG ASP A 35 5.629 -7.603 -8.683 1.00 0.00 C ATOM 474 OD1 ASP A 35 4.592 -7.244 -8.085 1.00 0.00 O ATOM 475 OD2 ASP A 35 5.630 -8.017 -9.862 1.00 0.00 O ATOM 0 H ASP A 35 9.699 -6.164 -8.058 1.00 0.00 H new ATOM 0 HA ASP A 35 7.747 -5.888 -9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.631 -8.282 -8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.790 -7.782 -6.893 1.00 0.00 H new ATOM 480 N CYS A 36 6.834 -3.859 -7.854 1.00 0.00 N ATOM 481 CA CYS A 36 6.007 -2.773 -7.342 1.00 0.00 C ATOM 482 C CYS A 36 5.083 -2.234 -8.432 1.00 0.00 C ATOM 483 O CYS A 36 5.529 -1.923 -9.537 1.00 0.00 O ATOM 484 CB CYS A 36 6.883 -1.649 -6.790 1.00 0.00 C ATOM 485 SG CYS A 36 7.600 -2.010 -5.154 1.00 0.00 S ATOM 0 H CYS A 36 7.516 -3.577 -8.558 1.00 0.00 H new ATOM 0 HA CYS A 36 5.392 -3.168 -6.533 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.691 -1.451 -7.495 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.289 -0.738 -6.723 1.00 0.00 H new ATOM 490 N ALA A 37 3.795 -2.125 -8.114 1.00 0.00 N ATOM 491 CA ALA A 37 2.811 -1.627 -9.066 1.00 0.00 C ATOM 492 C ALA A 37 1.569 -1.112 -8.348 1.00 0.00 C ATOM 493 O ALA A 37 1.504 -1.120 -7.119 1.00 0.00 O ATOM 494 CB ALA A 37 2.434 -2.720 -10.056 1.00 0.00 C ATOM 0 H ALA A 37 3.410 -2.376 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 37 3.257 -0.796 -9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.698 -2.334 -10.761 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.323 -3.042 -10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.011 -3.568 -9.518 1.00 0.00 H new ATOM 500 N ASN A 38 0.588 -0.665 -9.122 1.00 0.00 N ATOM 501 CA ASN A 38 -0.653 -0.146 -8.560 1.00 0.00 C ATOM 502 C ASN A 38 -1.519 -1.290 -8.025 1.00 0.00 C ATOM 503 O ASN A 38 -1.649 -2.331 -8.670 1.00 0.00 O ATOM 504 CB ASN A 38 -1.429 0.649 -9.624 1.00 0.00 C ATOM 505 CG ASN A 38 -2.145 -0.258 -10.608 1.00 0.00 C ATOM 506 OD1 ASN A 38 -3.313 -0.599 -10.418 1.00 0.00 O ATOM 507 ND2 ASN A 38 -1.444 -0.660 -11.663 1.00 0.00 N ATOM 0 H ASN A 38 0.628 -0.651 -10.141 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.405 0.520 -7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.156 1.296 -9.133 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.740 1.297 -10.165 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.871 -1.276 -12.355 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.479 -0.353 -11.781 1.00 0.00 H new ATOM 514 N PRO A 39 -2.122 -1.112 -6.832 1.00 0.00 N ATOM 515 CA PRO A 39 -2.973 -2.125 -6.217 1.00 0.00 C ATOM 516 C PRO A 39 -4.436 -1.984 -6.635 1.00 0.00 C ATOM 517 O PRO A 39 -5.066 -0.966 -6.344 1.00 0.00 O ATOM 518 CB PRO A 39 -2.815 -1.814 -4.734 1.00 0.00 C ATOM 519 CG PRO A 39 -2.662 -0.330 -4.679 1.00 0.00 C ATOM 520 CD PRO A 39 -2.019 0.090 -5.981 1.00 0.00 C ATOM 0 HA PRO A 39 -2.696 -3.140 -6.502 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.683 -2.145 -4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.946 -2.319 -4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.630 0.154 -4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.045 -0.036 -3.830 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.536 0.940 -6.426 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.981 0.389 -5.836 1.00 0.00 H new ATOM 528 N PRO A 40 -5.005 -2.992 -7.321 1.00 0.00 N ATOM 529 CA PRO A 40 -6.393 -2.934 -7.759 1.00 0.00 C ATOM 530 C PRO A 40 -7.357 -3.517 -6.729 1.00 0.00 C ATOM 531 O PRO A 40 -7.352 -4.721 -6.468 1.00 0.00 O ATOM 532 CB PRO A 40 -6.351 -3.806 -8.996 1.00 0.00 C ATOM 533 CG PRO A 40 -5.387 -4.892 -8.639 1.00 0.00 C ATOM 534 CD PRO A 40 -4.362 -4.257 -7.726 1.00 0.00 C ATOM 0 HA PRO A 40 -6.749 -1.917 -7.921 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.336 -4.208 -9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.016 -3.245 -9.869 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.896 -5.717 -8.140 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.914 -5.302 -9.531 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.142 -4.890 -6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.418 -4.081 -8.242 1.00 0.00 H new ATOM 542 N ALA A 41 -8.185 -2.651 -6.152 1.00 0.00 N ATOM 543 CA ALA A 41 -9.172 -3.069 -5.164 1.00 0.00 C ATOM 544 C ALA A 41 -10.041 -1.891 -4.741 1.00 0.00 C ATOM 545 O ALA A 41 -9.910 -0.789 -5.272 1.00 0.00 O ATOM 546 CB ALA A 41 -8.485 -3.679 -3.951 1.00 0.00 C ATOM 0 H ALA A 41 -8.191 -1.651 -6.354 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.812 -3.825 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.236 -3.986 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.904 -4.548 -4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.822 -2.941 -3.499 1.00 0.00 H new ATOM 552 N THR A 42 -10.930 -2.135 -3.786 1.00 0.00 N ATOM 553 CA THR A 42 -11.782 -1.089 -3.252 1.00 0.00 C ATOM 554 C THR A 42 -11.362 -0.793 -1.818 1.00 0.00 C ATOM 555 O THR A 42 -11.885 -1.383 -0.872 1.00 0.00 O ATOM 556 CB THR A 42 -13.260 -1.500 -3.280 1.00 0.00 C ATOM 557 OG1 THR A 42 -13.634 -1.901 -4.603 1.00 0.00 O ATOM 558 CG2 THR A 42 -14.136 -0.345 -2.830 1.00 0.00 C ATOM 0 H THR A 42 -11.077 -3.053 -3.366 1.00 0.00 H new ATOM 0 HA THR A 42 -11.670 -0.200 -3.873 1.00 0.00 H new ATOM 0 HB THR A 42 -13.400 -2.339 -2.598 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.578 -2.163 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 42 -15.182 -0.651 -2.855 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.866 -0.058 -1.814 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.990 0.504 -3.498 1.00 0.00 H new ATOM 566 N LEU A 43 -10.413 0.125 -1.665 1.00 0.00 N ATOM 567 CA LEU A 43 -9.897 0.476 -0.344 1.00 0.00 C ATOM 568 C LEU A 43 -10.988 1.083 0.537 1.00 0.00 C ATOM 569 O LEU A 43 -11.626 2.066 0.161 1.00 0.00 O ATOM 570 CB LEU A 43 -8.714 1.447 -0.460 1.00 0.00 C ATOM 571 CG LEU A 43 -7.640 1.066 -1.491 1.00 0.00 C ATOM 572 CD1 LEU A 43 -6.385 1.900 -1.281 1.00 0.00 C ATOM 573 CD2 LEU A 43 -7.311 -0.420 -1.418 1.00 0.00 C ATOM 0 H LEU A 43 -9.986 0.639 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.551 -0.445 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.101 2.434 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.240 1.532 0.518 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.037 1.274 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.634 1.619 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.627 2.957 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.994 1.723 -0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.548 -0.661 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.939 -0.662 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.210 -1.002 -1.621 1.00 0.00 H new ATOM 585 N ALA A 44 -11.199 0.486 1.710 1.00 0.00 N ATOM 586 CA ALA A 44 -12.214 0.966 2.643 1.00 0.00 C ATOM 587 C ALA A 44 -11.607 1.355 3.988 1.00 0.00 C ATOM 588 O ALA A 44 -12.074 2.289 4.641 1.00 0.00 O ATOM 589 CB ALA A 44 -13.292 -0.087 2.839 1.00 0.00 C ATOM 0 H ALA A 44 -10.680 -0.330 2.035 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.662 1.861 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.042 0.285 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.765 -0.306 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.844 -0.997 3.239 1.00 0.00 H new ATOM 595 N ASN A 45 -10.562 0.640 4.399 1.00 0.00 N ATOM 596 CA ASN A 45 -9.902 0.911 5.670 1.00 0.00 C ATOM 597 C ASN A 45 -8.521 0.260 5.724 1.00 0.00 C ATOM 598 O ASN A 45 -8.085 -0.367 4.758 1.00 0.00 O ATOM 599 CB ASN A 45 -10.771 0.434 6.845 1.00 0.00 C ATOM 600 CG ASN A 45 -10.697 -1.067 7.089 1.00 0.00 C ATOM 601 OD1 ASN A 45 -9.725 -1.562 7.655 1.00 0.00 O ATOM 602 ND2 ASN A 45 -11.737 -1.799 6.688 1.00 0.00 N ATOM 0 H ASN A 45 -10.156 -0.131 3.869 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.769 1.989 5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.461 0.956 7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.808 0.712 6.655 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.744 -2.806 6.848 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.526 -1.352 6.221 1.00 0.00 H new ATOM 609 N ALA A 46 -7.836 0.419 6.857 1.00 0.00 N ATOM 610 CA ALA A 46 -6.497 -0.142 7.040 1.00 0.00 C ATOM 611 C ALA A 46 -6.446 -1.625 6.689 1.00 0.00 C ATOM 612 O ALA A 46 -5.695 -2.038 5.803 1.00 0.00 O ATOM 613 CB ALA A 46 -6.027 0.073 8.471 1.00 0.00 C ATOM 0 H ALA A 46 -8.188 0.934 7.664 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.828 0.381 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.030 -0.349 8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.998 1.141 8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.716 -0.419 9.158 1.00 0.00 H new ATOM 619 N THR A 47 -7.244 -2.422 7.389 1.00 0.00 N ATOM 620 CA THR A 47 -7.286 -3.855 7.165 1.00 0.00 C ATOM 621 C THR A 47 -7.738 -4.172 5.745 1.00 0.00 C ATOM 622 O THR A 47 -7.261 -5.127 5.130 1.00 0.00 O ATOM 623 CB THR A 47 -8.229 -4.530 8.175 1.00 0.00 C ATOM 624 OG1 THR A 47 -7.682 -4.433 9.495 1.00 0.00 O ATOM 625 CG2 THR A 47 -8.458 -5.989 7.824 1.00 0.00 C ATOM 0 H THR A 47 -7.874 -2.093 8.121 1.00 0.00 H new ATOM 0 HA THR A 47 -6.278 -4.245 7.303 1.00 0.00 H new ATOM 0 HB THR A 47 -9.188 -4.014 8.137 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.289 -4.863 10.133 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.129 -6.438 8.556 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.905 -6.059 6.832 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.505 -6.519 7.831 1.00 0.00 H new ATOM 633 N HIS A 48 -8.659 -3.367 5.230 1.00 0.00 N ATOM 634 CA HIS A 48 -9.162 -3.558 3.878 1.00 0.00 C ATOM 635 C HIS A 48 -8.027 -3.390 2.876 1.00 0.00 C ATOM 636 O HIS A 48 -8.005 -4.039 1.831 1.00 0.00 O ATOM 637 CB HIS A 48 -10.279 -2.562 3.581 1.00 0.00 C ATOM 638 CG HIS A 48 -11.282 -3.069 2.590 1.00 0.00 C ATOM 639 ND1 HIS A 48 -12.626 -3.197 2.877 1.00 0.00 N ATOM 640 CD2 HIS A 48 -11.134 -3.482 1.308 1.00 0.00 C ATOM 641 CE1 HIS A 48 -13.258 -3.666 1.816 1.00 0.00 C ATOM 642 NE2 HIS A 48 -12.376 -3.846 0.851 1.00 0.00 N ATOM 0 H HIS A 48 -9.071 -2.578 5.728 1.00 0.00 H new ATOM 0 HA HIS A 48 -9.566 -4.566 3.792 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.791 -2.314 4.511 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.841 -1.638 3.203 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -13.063 -2.966 3.769 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.210 -3.518 0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.317 -3.868 1.750 1.00 0.00 H new ATOM 651 N PHE A 49 -7.087 -2.509 3.208 1.00 0.00 N ATOM 652 CA PHE A 49 -5.936 -2.260 2.351 1.00 0.00 C ATOM 653 C PHE A 49 -5.005 -3.467 2.367 1.00 0.00 C ATOM 654 O PHE A 49 -4.447 -3.846 1.337 1.00 0.00 O ATOM 655 CB PHE A 49 -5.185 -1.001 2.808 1.00 0.00 C ATOM 656 CG PHE A 49 -3.935 -0.725 2.017 1.00 0.00 C ATOM 657 CD1 PHE A 49 -3.942 -0.792 0.632 1.00 0.00 C ATOM 658 CD2 PHE A 49 -2.751 -0.405 2.661 1.00 0.00 C ATOM 659 CE1 PHE A 49 -2.793 -0.544 -0.094 1.00 0.00 C ATOM 660 CE2 PHE A 49 -1.599 -0.156 1.940 1.00 0.00 C ATOM 661 CZ PHE A 49 -1.620 -0.226 0.562 1.00 0.00 C ATOM 0 H PHE A 49 -7.102 -1.956 4.065 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.288 -2.098 1.332 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.851 -0.142 2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.923 -1.106 3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.857 -1.041 0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.728 -0.350 3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.812 -0.599 -1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.683 0.093 2.455 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.720 -0.032 -0.003 1.00 0.00 H new ATOM 671 N GLU A 50 -4.840 -4.068 3.545 1.00 0.00 N ATOM 672 CA GLU A 50 -3.994 -5.246 3.685 1.00 0.00 C ATOM 673 C GLU A 50 -4.530 -6.372 2.811 1.00 0.00 C ATOM 674 O GLU A 50 -3.770 -7.144 2.226 1.00 0.00 O ATOM 675 CB GLU A 50 -3.948 -5.695 5.150 1.00 0.00 C ATOM 676 CG GLU A 50 -3.136 -6.962 5.376 1.00 0.00 C ATOM 677 CD GLU A 50 -3.233 -7.469 6.801 1.00 0.00 C ATOM 678 OE1 GLU A 50 -4.201 -8.196 7.108 1.00 0.00 O ATOM 679 OE2 GLU A 50 -2.340 -7.142 7.610 1.00 0.00 O ATOM 0 H GLU A 50 -5.280 -3.758 4.411 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.983 -4.995 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.527 -4.891 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.966 -5.859 5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.483 -7.738 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.091 -6.768 5.134 1.00 0.00 H new ATOM 686 N SER A 51 -5.854 -6.451 2.735 1.00 0.00 N ATOM 687 CA SER A 51 -6.536 -7.446 1.952 1.00 0.00 C ATOM 688 C SER A 51 -6.308 -7.234 0.457 1.00 0.00 C ATOM 689 O SER A 51 -6.440 -8.165 -0.338 1.00 0.00 O ATOM 690 CB SER A 51 -8.024 -7.352 2.282 1.00 0.00 C ATOM 691 OG SER A 51 -8.254 -7.555 3.666 1.00 0.00 O ATOM 0 H SER A 51 -6.481 -5.813 3.225 1.00 0.00 H new ATOM 0 HA SER A 51 -6.147 -8.435 2.194 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.404 -6.374 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.575 -8.095 1.706 1.00 0.00 H new ATOM 0 HG SER A 51 -7.966 -6.762 4.165 1.00 0.00 H new ATOM 697 N THR A 52 -5.968 -6.004 0.084 1.00 0.00 N ATOM 698 CA THR A 52 -5.729 -5.664 -1.316 1.00 0.00 C ATOM 699 C THR A 52 -4.446 -6.302 -1.836 1.00 0.00 C ATOM 700 O THR A 52 -4.414 -6.841 -2.942 1.00 0.00 O ATOM 701 CB THR A 52 -5.647 -4.138 -1.511 1.00 0.00 C ATOM 702 OG1 THR A 52 -6.899 -3.531 -1.168 1.00 0.00 O ATOM 703 CG2 THR A 52 -5.287 -3.786 -2.949 1.00 0.00 C ATOM 0 H THR A 52 -5.852 -5.225 0.732 1.00 0.00 H new ATOM 0 HA THR A 52 -6.574 -6.056 -1.883 1.00 0.00 H new ATOM 0 HB THR A 52 -4.864 -3.757 -0.856 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.121 -3.743 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.236 -2.703 -3.057 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.319 -4.221 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.047 -4.182 -3.622 1.00 0.00 H new ATOM 711 N CYS A 53 -3.394 -6.239 -1.031 1.00 0.00 N ATOM 712 CA CYS A 53 -2.104 -6.802 -1.414 1.00 0.00 C ATOM 713 C CYS A 53 -2.051 -8.299 -1.133 1.00 0.00 C ATOM 714 O CYS A 53 -1.300 -9.029 -1.774 1.00 0.00 O ATOM 715 CB CYS A 53 -0.974 -6.095 -0.668 1.00 0.00 C ATOM 716 SG CYS A 53 -0.891 -4.300 -0.969 1.00 0.00 S ATOM 0 H CYS A 53 -3.407 -5.804 -0.109 1.00 0.00 H new ATOM 0 HA CYS A 53 -1.978 -6.649 -2.486 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.095 -6.268 0.401 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.025 -6.545 -0.958 1.00 0.00 H new ATOM 721 N ALA A 54 -2.863 -8.751 -0.182 1.00 0.00 N ATOM 722 CA ALA A 54 -2.902 -10.158 0.184 1.00 0.00 C ATOM 723 C ALA A 54 -3.680 -10.946 -0.854 1.00 0.00 C ATOM 724 O ALA A 54 -3.549 -12.165 -0.965 1.00 0.00 O ATOM 725 CB ALA A 54 -3.526 -10.321 1.558 1.00 0.00 C ATOM 0 H ALA A 54 -3.503 -8.160 0.348 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.884 -10.545 0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.551 -11.378 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.934 -9.776 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.542 -9.926 1.545 1.00 0.00 H new ATOM 731 N ALA A 55 -4.490 -10.223 -1.610 1.00 0.00 N ATOM 732 CA ALA A 55 -5.315 -10.806 -2.647 1.00 0.00 C ATOM 733 C ALA A 55 -4.482 -11.407 -3.774 1.00 0.00 C ATOM 734 O ALA A 55 -4.817 -12.465 -4.307 1.00 0.00 O ATOM 735 CB ALA A 55 -6.245 -9.745 -3.195 1.00 0.00 C ATOM 0 H ALA A 55 -4.592 -9.212 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.890 -11.620 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.870 -10.177 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.878 -9.366 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.658 -8.926 -3.611 1.00 0.00 H new ATOM 741 N ILE A 56 -3.395 -10.730 -4.131 1.00 0.00 N ATOM 742 CA ILE A 56 -2.534 -11.195 -5.213 1.00 0.00 C ATOM 743 C ILE A 56 -1.263 -11.881 -4.703 1.00 0.00 C ATOM 744 O ILE A 56 -0.354 -12.168 -5.483 1.00 0.00 O ATOM 745 CB ILE A 56 -2.167 -10.044 -6.172 1.00 0.00 C ATOM 746 CG1 ILE A 56 -1.897 -8.751 -5.390 1.00 0.00 C ATOM 747 CG2 ILE A 56 -3.289 -9.840 -7.182 1.00 0.00 C ATOM 748 CD1 ILE A 56 -1.696 -7.532 -6.270 1.00 0.00 C ATOM 0 H ILE A 56 -3.091 -9.862 -3.690 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.111 -11.941 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.254 -10.307 -6.707 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.732 -8.566 -4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.011 -8.890 -4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.027 -9.026 -7.858 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.433 -10.756 -7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.211 -9.592 -6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.510 -6.659 -5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.843 -7.695 -6.928 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.590 -7.365 -6.870 1.00 0.00 H new ATOM 760 N GLY A 57 -1.204 -12.145 -3.399 1.00 0.00 N ATOM 761 CA GLY A 57 -0.048 -12.830 -2.833 1.00 0.00 C ATOM 762 C GLY A 57 1.070 -11.901 -2.384 1.00 0.00 C ATOM 763 O GLY A 57 2.246 -12.213 -2.572 1.00 0.00 O ATOM 0 H GLY A 57 -1.930 -11.899 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.374 -13.426 -1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.348 -13.524 -3.574 1.00 0.00 H new ATOM 767 N GLN A 58 0.714 -10.766 -1.788 1.00 0.00 N ATOM 768 CA GLN A 58 1.711 -9.811 -1.307 1.00 0.00 C ATOM 769 C GLN A 58 1.230 -9.103 -0.043 1.00 0.00 C ATOM 770 O GLN A 58 0.152 -9.397 0.473 1.00 0.00 O ATOM 771 CB GLN A 58 2.034 -8.780 -2.389 1.00 0.00 C ATOM 772 CG GLN A 58 2.922 -9.309 -3.493 1.00 0.00 C ATOM 773 CD GLN A 58 2.212 -9.246 -4.821 1.00 0.00 C ATOM 774 OE1 GLN A 58 1.702 -10.250 -5.318 1.00 0.00 O ATOM 775 NE2 GLN A 58 2.145 -8.051 -5.387 1.00 0.00 N ATOM 0 H GLN A 58 -0.253 -10.485 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 58 2.616 -10.369 -1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.102 -8.422 -2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.519 -7.921 -1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.842 -8.726 -3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.208 -10.338 -3.276 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.584 -7.248 -4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.655 -7.933 -6.274 1.00 0.00 H new ATOM 784 N ARG A 59 2.042 -8.171 0.452 1.00 0.00 N ATOM 785 CA ARG A 59 1.700 -7.417 1.657 1.00 0.00 C ATOM 786 C ARG A 59 1.628 -5.920 1.355 1.00 0.00 C ATOM 787 O ARG A 59 2.254 -5.437 0.411 1.00 0.00 O ATOM 788 CB ARG A 59 2.732 -7.680 2.763 1.00 0.00 C ATOM 789 CG ARG A 59 3.213 -9.128 2.841 1.00 0.00 C ATOM 790 CD ARG A 59 4.321 -9.292 3.867 1.00 0.00 C ATOM 791 NE ARG A 59 4.802 -10.669 3.935 1.00 0.00 N ATOM 792 CZ ARG A 59 5.565 -11.139 4.917 1.00 0.00 C ATOM 793 NH1 ARG A 59 5.940 -10.345 5.911 1.00 0.00 N ATOM 794 NH2 ARG A 59 5.953 -12.407 4.905 1.00 0.00 N ATOM 0 H ARG A 59 2.940 -7.920 0.038 1.00 0.00 H new ATOM 0 HA ARG A 59 0.721 -7.750 2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.593 -7.031 2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.298 -7.401 3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.376 -9.777 3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.572 -9.447 1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.150 -8.630 3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.956 -8.986 4.847 1.00 0.00 H new ATOM 0 HE ARG A 59 4.537 -11.308 3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.643 -9.369 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.525 -10.710 6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.666 -13.021 4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.538 -12.768 5.658 1.00 0.00 H new ATOM 808 N ALA A 60 0.857 -5.192 2.163 1.00 0.00 N ATOM 809 CA ALA A 60 0.691 -3.753 1.982 1.00 0.00 C ATOM 810 C ALA A 60 1.997 -3.008 2.230 1.00 0.00 C ATOM 811 O ALA A 60 2.554 -3.065 3.327 1.00 0.00 O ATOM 812 CB ALA A 60 -0.401 -3.240 2.911 1.00 0.00 C ATOM 0 H ALA A 60 0.337 -5.578 2.951 1.00 0.00 H new ATOM 0 HA ALA A 60 0.399 -3.569 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.521 -2.166 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.340 -3.743 2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.124 -3.444 3.945 1.00 0.00 H new ATOM 818 N ARG A 61 2.481 -2.304 1.205 1.00 0.00 N ATOM 819 CA ARG A 61 3.722 -1.548 1.323 1.00 0.00 C ATOM 820 C ARG A 61 3.584 -0.162 0.700 1.00 0.00 C ATOM 821 O ARG A 61 3.336 -0.030 -0.499 1.00 0.00 O ATOM 822 CB ARG A 61 4.879 -2.298 0.652 1.00 0.00 C ATOM 823 CG ARG A 61 4.929 -3.780 0.987 1.00 0.00 C ATOM 824 CD ARG A 61 6.299 -4.371 0.699 1.00 0.00 C ATOM 825 NE ARG A 61 7.323 -3.839 1.594 1.00 0.00 N ATOM 826 CZ ARG A 61 8.584 -4.260 1.606 1.00 0.00 C ATOM 827 NH1 ARG A 61 8.978 -5.213 0.770 1.00 0.00 N ATOM 828 NH2 ARG A 61 9.454 -3.729 2.453 1.00 0.00 N ATOM 0 H ARG A 61 2.033 -2.244 0.291 1.00 0.00 H new ATOM 0 HA ARG A 61 3.937 -1.434 2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.796 -2.182 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.820 -1.836 0.950 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.683 -3.925 2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.174 -4.311 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.255 -5.455 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.575 -4.160 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 61 7.056 -3.103 2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.312 -5.625 0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.946 -5.534 0.782 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.157 -2.996 3.097 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.421 -4.053 2.461 1.00 0.00 H new ATOM 842 N CYS A 62 3.746 0.868 1.525 1.00 0.00 N ATOM 843 CA CYS A 62 3.659 2.247 1.062 1.00 0.00 C ATOM 844 C CYS A 62 5.067 2.769 0.774 1.00 0.00 C ATOM 845 O CYS A 62 5.841 3.020 1.697 1.00 0.00 O ATOM 846 CB CYS A 62 2.957 3.117 2.119 1.00 0.00 C ATOM 847 SG CYS A 62 2.436 4.759 1.525 1.00 0.00 S ATOM 0 H CYS A 62 3.939 0.772 2.522 1.00 0.00 H new ATOM 0 HA CYS A 62 3.071 2.291 0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.081 2.583 2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 62 3.629 3.248 2.967 1.00 0.00 H new ATOM 852 N CYS A 63 5.405 2.917 -0.509 1.00 0.00 N ATOM 853 CA CYS A 63 6.741 3.377 -0.895 1.00 0.00 C ATOM 854 C CYS A 63 6.756 4.845 -1.316 1.00 0.00 C ATOM 855 O CYS A 63 5.793 5.358 -1.885 1.00 0.00 O ATOM 856 CB CYS A 63 7.310 2.511 -2.022 1.00 0.00 C ATOM 857 SG CYS A 63 7.898 0.877 -1.471 1.00 0.00 S ATOM 0 H CYS A 63 4.779 2.727 -1.292 1.00 0.00 H new ATOM 0 HA CYS A 63 7.369 3.281 -0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.543 2.372 -2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.136 3.043 -2.495 1.00 0.00 H new ATOM 862 N VAL A 64 7.874 5.501 -1.021 1.00 0.00 N ATOM 863 CA VAL A 64 8.073 6.911 -1.344 1.00 0.00 C ATOM 864 C VAL A 64 8.867 7.057 -2.639 1.00 0.00 C ATOM 865 O VAL A 64 9.768 6.266 -2.920 1.00 0.00 O ATOM 866 CB VAL A 64 8.794 7.644 -0.179 1.00 0.00 C ATOM 867 CG1 VAL A 64 9.721 6.706 0.559 1.00 0.00 C ATOM 868 CG2 VAL A 64 9.572 8.856 -0.651 1.00 0.00 C ATOM 0 H VAL A 64 8.669 5.070 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 64 7.095 7.370 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 64 8.012 7.989 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.213 7.244 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.147 5.876 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.473 6.321 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.057 9.332 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.329 8.545 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.891 9.564 -1.123 1.00 0.00 H new ATOM 878 N LEU A 65 8.518 8.076 -3.421 1.00 0.00 N ATOM 879 CA LEU A 65 9.185 8.333 -4.695 1.00 0.00 C ATOM 880 C LEU A 65 10.705 8.335 -4.533 1.00 0.00 C ATOM 881 O LEU A 65 11.227 8.862 -3.550 1.00 0.00 O ATOM 882 CB LEU A 65 8.720 9.671 -5.272 1.00 0.00 C ATOM 883 CG LEU A 65 7.468 9.597 -6.149 1.00 0.00 C ATOM 884 CD1 LEU A 65 6.839 10.972 -6.295 1.00 0.00 C ATOM 885 CD2 LEU A 65 7.806 9.017 -7.516 1.00 0.00 C ATOM 0 H LEU A 65 7.776 8.738 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 65 8.917 7.531 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.528 10.358 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.532 10.098 -5.860 1.00 0.00 H new ATOM 0 HG LEU A 65 6.747 8.938 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.950 10.901 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.560 11.351 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.555 11.652 -6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.903 8.972 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.545 9.650 -8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.212 8.013 -7.395 1.00 0.00 H new ATOM 897 N PRO A 66 11.438 7.746 -5.499 1.00 0.00 N ATOM 898 CA PRO A 66 12.904 7.679 -5.448 1.00 0.00 C ATOM 899 C PRO A 66 13.549 9.058 -5.391 1.00 0.00 C ATOM 900 O PRO A 66 13.200 9.952 -6.162 1.00 0.00 O ATOM 901 CB PRO A 66 13.285 6.970 -6.752 1.00 0.00 C ATOM 902 CG PRO A 66 12.049 6.249 -7.175 1.00 0.00 C ATOM 903 CD PRO A 66 10.904 7.102 -6.713 1.00 0.00 C ATOM 0 HA PRO A 66 13.249 7.163 -4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.604 7.684 -7.511 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.113 6.278 -6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.025 6.114 -8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.003 5.256 -6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.618 7.836 -7.466 1.00 0.00 H new ATOM 0 HD3 PRO A 66 10.018 6.505 -6.497 1.00 0.00 H new ATOM 911 N ILE A 67 14.500 9.218 -4.474 1.00 0.00 N ATOM 912 CA ILE A 67 15.204 10.483 -4.309 1.00 0.00 C ATOM 913 C ILE A 67 16.713 10.265 -4.303 1.00 0.00 C ATOM 914 O ILE A 67 17.270 9.743 -3.337 1.00 0.00 O ATOM 915 CB ILE A 67 14.789 11.195 -3.005 1.00 0.00 C ATOM 916 CG1 ILE A 67 13.278 11.438 -2.977 1.00 0.00 C ATOM 917 CG2 ILE A 67 15.544 12.508 -2.849 1.00 0.00 C ATOM 918 CD1 ILE A 67 12.779 12.311 -4.107 1.00 0.00 C ATOM 0 H ILE A 67 14.800 8.484 -3.833 1.00 0.00 H new ATOM 0 HA ILE A 67 14.931 11.114 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 67 15.046 10.548 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 67 12.764 10.478 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.012 11.902 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 67 15.238 12.996 -1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.615 12.310 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.320 13.159 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.700 12.438 -4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.264 13.286 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.013 11.840 -5.062 1.00 0.00 H new ATOM 930 N LEU A 68 17.368 10.657 -5.392 1.00 0.00 N ATOM 931 CA LEU A 68 18.813 10.506 -5.515 1.00 0.00 C ATOM 932 C LEU A 68 19.536 11.107 -4.317 1.00 0.00 C ATOM 933 O LEU A 68 19.416 12.301 -4.037 1.00 0.00 O ATOM 934 CB LEU A 68 19.305 11.164 -6.809 1.00 0.00 C ATOM 935 CG LEU A 68 19.665 10.219 -7.970 1.00 0.00 C ATOM 936 CD1 LEU A 68 18.690 9.061 -8.041 1.00 0.00 C ATOM 937 CD2 LEU A 68 19.671 10.982 -9.273 1.00 0.00 C ATOM 0 H LEU A 68 16.919 11.082 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 68 19.037 9.440 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.534 11.851 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 68 20.184 11.764 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 68 20.661 9.814 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 68 18.963 8.406 -8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 68 18.723 8.500 -7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 68 17.682 9.444 -8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.927 10.306 -10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.683 11.408 -9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 68 20.408 11.784 -9.222 1.00 0.00 H new ATOM 949 N GLY A 69 20.290 10.268 -3.616 1.00 0.00 N ATOM 950 CA GLY A 69 21.030 10.725 -2.452 1.00 0.00 C ATOM 951 C GLY A 69 20.612 10.015 -1.179 1.00 0.00 C ATOM 952 O GLY A 69 21.289 10.114 -0.155 1.00 0.00 O ATOM 0 H GLY A 69 20.403 9.278 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 69 22.096 10.567 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 69 20.882 11.798 -2.330 1.00 0.00 H new ATOM 956 N GLN A 70 19.495 9.296 -1.241 1.00 0.00 N ATOM 957 CA GLN A 70 18.988 8.572 -0.082 1.00 0.00 C ATOM 958 C GLN A 70 18.546 7.170 -0.458 1.00 0.00 C ATOM 959 O GLN A 70 18.410 6.832 -1.634 1.00 0.00 O ATOM 960 CB GLN A 70 17.815 9.324 0.550 1.00 0.00 C ATOM 961 CG GLN A 70 16.544 9.277 -0.285 1.00 0.00 C ATOM 962 CD GLN A 70 15.436 10.148 0.277 1.00 0.00 C ATOM 963 OE1 GLN A 70 14.256 9.812 0.176 1.00 0.00 O ATOM 964 NE2 GLN A 70 15.807 11.282 0.860 1.00 0.00 N ATOM 0 H GLN A 70 18.925 9.200 -2.081 1.00 0.00 H new ATOM 0 HA GLN A 70 19.802 8.498 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.610 8.901 1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.101 10.364 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.771 9.598 -1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.194 8.247 -0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.796 11.523 0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.103 11.912 1.245 1.00 0.00 H new ATOM 973 N ASP A 71 18.325 6.367 0.567 1.00 0.00 N ATOM 974 CA ASP A 71 17.886 4.987 0.391 1.00 0.00 C ATOM 975 C ASP A 71 16.377 4.938 0.167 1.00 0.00 C ATOM 976 O ASP A 71 15.686 5.942 0.331 1.00 0.00 O ATOM 977 CB ASP A 71 18.266 4.153 1.619 1.00 0.00 C ATOM 978 CG ASP A 71 17.960 2.678 1.437 1.00 0.00 C ATOM 979 OD1 ASP A 71 18.802 1.965 0.851 1.00 0.00 O ATOM 980 OD2 ASP A 71 16.880 2.236 1.882 1.00 0.00 O ATOM 0 H ASP A 71 18.443 6.647 1.541 1.00 0.00 H new ATOM 0 HA ASP A 71 18.383 4.569 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.329 4.278 1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.728 4.528 2.489 1.00 0.00 H new ATOM 985 N ILE A 72 15.872 3.768 -0.214 1.00 0.00 N ATOM 986 CA ILE A 72 14.445 3.600 -0.457 1.00 0.00 C ATOM 987 C ILE A 72 13.693 3.348 0.853 1.00 0.00 C ATOM 988 O ILE A 72 14.042 2.449 1.620 1.00 0.00 O ATOM 989 CB ILE A 72 14.171 2.446 -1.456 1.00 0.00 C ATOM 990 CG1 ILE A 72 12.701 2.456 -1.881 1.00 0.00 C ATOM 991 CG2 ILE A 72 14.546 1.095 -0.857 1.00 0.00 C ATOM 992 CD1 ILE A 72 12.377 1.461 -2.975 1.00 0.00 C ATOM 0 H ILE A 72 16.428 2.926 -0.360 1.00 0.00 H new ATOM 0 HA ILE A 72 14.081 4.528 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 72 14.795 2.603 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.079 2.242 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.438 3.457 -2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 72 14.342 0.307 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 72 15.606 1.091 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.958 0.921 0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.318 1.526 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.972 1.687 -3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.608 0.453 -2.630 1.00 0.00 H new ATOM 1004 N LEU A 73 12.670 4.165 1.115 1.00 0.00 N ATOM 1005 CA LEU A 73 11.877 4.037 2.333 1.00 0.00 C ATOM 1006 C LEU A 73 10.549 3.335 2.051 1.00 0.00 C ATOM 1007 O LEU A 73 9.690 3.869 1.352 1.00 0.00 O ATOM 1008 CB LEU A 73 11.624 5.422 2.953 1.00 0.00 C ATOM 1009 CG LEU A 73 12.815 6.047 3.691 1.00 0.00 C ATOM 1010 CD1 LEU A 73 13.357 5.100 4.754 1.00 0.00 C ATOM 1011 CD2 LEU A 73 13.911 6.435 2.710 1.00 0.00 C ATOM 0 H LEU A 73 12.374 4.921 0.498 1.00 0.00 H new ATOM 0 HA LEU A 73 12.440 3.429 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.313 6.103 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.790 5.341 3.650 1.00 0.00 H new ATOM 0 HG LEU A 73 12.465 6.950 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.201 5.568 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.573 4.880 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.685 4.174 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.746 6.876 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.253 5.548 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.520 7.159 1.995 1.00 0.00 H new ATOM 1023 N CYS A 74 10.389 2.132 2.595 1.00 0.00 N ATOM 1024 CA CYS A 74 9.162 1.363 2.402 1.00 0.00 C ATOM 1025 C CYS A 74 8.836 0.528 3.642 1.00 0.00 C ATOM 1026 O CYS A 74 9.691 -0.199 4.147 1.00 0.00 O ATOM 1027 CB CYS A 74 9.299 0.439 1.189 1.00 0.00 C ATOM 1028 SG CYS A 74 9.563 1.310 -0.391 1.00 0.00 S ATOM 0 H CYS A 74 11.091 1.669 3.172 1.00 0.00 H new ATOM 0 HA CYS A 74 8.350 2.069 2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.132 -0.243 1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.399 -0.171 1.108 1.00 0.00 H new ATOM 1033 N GLN A 75 7.599 0.636 4.131 1.00 0.00 N ATOM 1034 CA GLN A 75 7.177 -0.128 5.303 1.00 0.00 C ATOM 1035 C GLN A 75 5.655 -0.207 5.385 1.00 0.00 C ATOM 1036 O GLN A 75 4.946 0.474 4.643 1.00 0.00 O ATOM 1037 CB GLN A 75 7.744 0.494 6.582 1.00 0.00 C ATOM 1038 CG GLN A 75 7.121 1.837 6.941 1.00 0.00 C ATOM 1039 CD GLN A 75 7.681 2.412 8.228 1.00 0.00 C ATOM 1040 OE1 GLN A 75 8.669 3.147 8.215 1.00 0.00 O ATOM 1041 NE2 GLN A 75 7.052 2.078 9.349 1.00 0.00 N ATOM 0 H GLN A 75 6.878 1.240 3.736 1.00 0.00 H new ATOM 0 HA GLN A 75 7.567 -1.141 5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.593 -0.199 7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 75 8.820 0.623 6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.292 2.542 6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.042 1.719 7.039 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.237 1.466 9.313 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.384 2.434 10.245 1.00 0.00 H new ATOM 1050 N THR A 76 5.160 -1.045 6.292 1.00 0.00 N ATOM 1051 CA THR A 76 3.727 -1.221 6.476 1.00 0.00 C ATOM 1052 C THR A 76 3.193 -0.280 7.561 1.00 0.00 C ATOM 1053 O THR A 76 3.810 -0.133 8.616 1.00 0.00 O ATOM 1054 CB THR A 76 3.397 -2.675 6.860 1.00 0.00 C ATOM 1055 OG1 THR A 76 3.865 -3.568 5.841 1.00 0.00 O ATOM 1056 CG2 THR A 76 1.902 -2.864 7.054 1.00 0.00 C ATOM 0 H THR A 76 5.736 -1.614 6.913 1.00 0.00 H new ATOM 0 HA THR A 76 3.246 -0.982 5.528 1.00 0.00 H new ATOM 0 HB THR A 76 3.898 -2.898 7.802 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.402 -3.375 4.999 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.698 -3.900 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.552 -2.206 7.849 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.381 -2.622 6.127 1.00 0.00 H new ATOM 1064 N PRO A 77 2.034 0.367 7.320 1.00 0.00 N ATOM 1065 CA PRO A 77 1.434 1.294 8.277 1.00 0.00 C ATOM 1066 C PRO A 77 0.536 0.590 9.292 1.00 0.00 C ATOM 1067 O PRO A 77 -0.136 -0.388 8.962 1.00 0.00 O ATOM 1068 CB PRO A 77 0.610 2.205 7.371 1.00 0.00 C ATOM 1069 CG PRO A 77 0.155 1.316 6.263 1.00 0.00 C ATOM 1070 CD PRO A 77 1.214 0.252 6.097 1.00 0.00 C ATOM 0 HA PRO A 77 2.178 1.811 8.883 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.236 2.637 7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.207 3.035 6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.810 0.868 6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.027 1.882 5.340 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.772 -0.740 6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.810 0.419 5.200 1.00 0.00 H new ATOM 1078 N ALA A 78 0.544 1.091 10.528 1.00 0.00 N ATOM 1079 CA ALA A 78 -0.272 0.529 11.603 1.00 0.00 C ATOM 1080 C ALA A 78 0.210 -0.861 12.012 1.00 0.00 C ATOM 1081 O ALA A 78 -0.350 -1.479 12.918 1.00 0.00 O ATOM 1082 CB ALA A 78 -1.739 0.483 11.197 1.00 0.00 C ATOM 0 H ALA A 78 1.111 1.891 10.810 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.167 1.184 12.468 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.329 0.062 12.011 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.088 1.493 10.981 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.851 -0.138 10.308 1.00 0.00 H new ATOM 1088 N GLY A 79 1.251 -1.347 11.341 1.00 0.00 N ATOM 1089 CA GLY A 79 1.790 -2.654 11.654 1.00 0.00 C ATOM 1090 C GLY A 79 0.873 -3.778 11.226 1.00 0.00 C ATOM 1091 O GLY A 79 0.774 -4.800 11.905 1.00 0.00 O ATOM 0 H GLY A 79 1.730 -0.856 10.586 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.756 -2.772 11.164 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.967 -2.723 12.727 1.00 0.00 H new ATOM 1095 N LEU A 80 0.196 -3.585 10.097 1.00 0.00 N ATOM 1096 CA LEU A 80 -0.723 -4.589 9.568 1.00 0.00 C ATOM 1097 C LEU A 80 -0.047 -5.954 9.462 1.00 0.00 C ATOM 1098 O LEU A 80 0.647 -6.193 8.452 1.00 0.00 O ATOM 1099 CB LEU A 80 -1.245 -4.160 8.197 1.00 0.00 C ATOM 1100 CG LEU A 80 -2.231 -2.996 8.213 1.00 0.00 C ATOM 1101 CD1 LEU A 80 -2.328 -2.364 6.839 1.00 0.00 C ATOM 1102 CD2 LEU A 80 -3.597 -3.476 8.676 1.00 0.00 C ATOM 1103 OXT LEU A 80 -0.220 -6.771 10.390 1.00 0.00 O ATOM 0 H LEU A 80 0.267 -2.740 9.530 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.560 -4.674 10.261 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.395 -3.887 7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.726 -5.017 7.725 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.870 -2.241 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.036 -1.535 6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.348 -1.993 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.670 -3.108 6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.294 -2.638 8.684 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.962 -4.245 7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.516 -3.890 9.681 1.00 0.00 H new TER 1115 LEU A 80