USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 41 GLN : amide:sc= -0.0607 K(o=-0.21,f=-1.6!) USER MOD Set 1.2: A 43 HIS : no HD1:sc= -0.145 X(o=-0.21,f=-0.51) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0364 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00328 USER MOD Single : A 3 SER OG : rot -160:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00676 USER MOD Single : A 6 SER OG : rot 180:sc= -0.148 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.397 K(o=-0.4,f=-4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 163:sc= -0.243 (180deg=-0.551) USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= -0.0131 (180deg=-0.244) USER MOD Single : A 56 SER OG : rot 180:sc= -1.02 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 69 GLN : amide:sc= 0.426 K(o=0.43,f=-5.6!) USER MOD Single : A 71 THR OG1 : rot -111:sc= 0.174 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 104:sc= 0.198 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -3.09 F(o=-4.3!,f=-3.1) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-2.5!) USER MOD Single : A 84 GLN : amide:sc= -0.346 K(o=-0.35,f=-1.2) USER MOD Single : A 86 SER OG : rot 170:sc= 0 USER MOD Single : A 90 SER OG : rot 42:sc= 0.896 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.123 5.346 12.526 1.00 0.00 N ATOM 2 CA GLY A 1 -1.712 6.194 13.546 1.00 0.00 C ATOM 3 C GLY A 1 -3.227 6.155 13.529 1.00 0.00 C ATOM 4 O GLY A 1 -3.824 5.140 13.171 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.329 4.812 12.934 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.840 4.682 12.170 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.777 5.935 11.742 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.355 5.879 14.526 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.376 7.221 13.399 1.00 0.00 H new ATOM 8 N SER A 2 -3.850 7.262 13.918 1.00 0.00 N ATOM 9 CA SER A 2 -5.305 7.349 13.951 1.00 0.00 C ATOM 10 C SER A 2 -5.872 7.509 12.543 1.00 0.00 C ATOM 11 O SER A 2 -5.283 8.182 11.698 1.00 0.00 O ATOM 12 CB SER A 2 -5.748 8.522 14.827 1.00 0.00 C ATOM 13 OG SER A 2 -5.098 9.721 14.441 1.00 0.00 O ATOM 0 H SER A 2 -3.370 8.112 14.215 1.00 0.00 H new ATOM 0 HA SER A 2 -5.690 6.422 14.376 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.828 8.649 14.751 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.526 8.304 15.872 1.00 0.00 H new ATOM 0 HG SER A 2 -5.399 10.456 15.015 1.00 0.00 H new ATOM 19 N SER A 3 -7.020 6.884 12.300 1.00 0.00 N ATOM 20 CA SER A 3 -7.666 6.953 10.995 1.00 0.00 C ATOM 21 C SER A 3 -9.000 7.689 11.086 1.00 0.00 C ATOM 22 O SER A 3 -9.625 7.734 12.145 1.00 0.00 O ATOM 23 CB SER A 3 -7.885 5.546 10.435 1.00 0.00 C ATOM 24 OG SER A 3 -8.183 5.588 9.051 1.00 0.00 O ATOM 0 H SER A 3 -7.521 6.324 12.990 1.00 0.00 H new ATOM 0 HA SER A 3 -7.011 7.506 10.323 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.992 4.943 10.600 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.701 5.061 10.971 1.00 0.00 H new ATOM 0 HG SER A 3 -8.621 4.753 8.785 1.00 0.00 H new ATOM 30 N GLY A 4 -9.429 8.264 9.967 1.00 0.00 N ATOM 31 CA GLY A 4 -10.685 8.990 9.941 1.00 0.00 C ATOM 32 C GLY A 4 -10.523 10.443 10.340 1.00 0.00 C ATOM 33 O GLY A 4 -9.515 11.073 10.020 1.00 0.00 O ATOM 0 H GLY A 4 -8.929 8.240 9.078 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.111 8.937 8.939 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.394 8.508 10.615 1.00 0.00 H new ATOM 37 N SER A 5 -11.518 10.978 11.041 1.00 0.00 N ATOM 38 CA SER A 5 -11.484 12.368 11.480 1.00 0.00 C ATOM 39 C SER A 5 -10.796 13.248 10.441 1.00 0.00 C ATOM 40 O SER A 5 -9.960 14.087 10.778 1.00 0.00 O ATOM 41 CB SER A 5 -10.760 12.483 12.823 1.00 0.00 C ATOM 42 OG SER A 5 -9.414 12.055 12.715 1.00 0.00 O ATOM 0 H SER A 5 -12.358 10.469 11.317 1.00 0.00 H new ATOM 0 HA SER A 5 -12.512 12.712 11.599 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.790 13.516 13.168 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.277 11.882 13.571 1.00 0.00 H new ATOM 0 HG SER A 5 -8.973 12.140 13.586 1.00 0.00 H new ATOM 48 N SER A 6 -11.154 13.051 9.176 1.00 0.00 N ATOM 49 CA SER A 6 -10.569 13.824 8.087 1.00 0.00 C ATOM 50 C SER A 6 -11.655 14.508 7.262 1.00 0.00 C ATOM 51 O SER A 6 -11.557 15.693 6.948 1.00 0.00 O ATOM 52 CB SER A 6 -9.724 12.918 7.188 1.00 0.00 C ATOM 53 OG SER A 6 -10.540 12.019 6.458 1.00 0.00 O ATOM 0 H SER A 6 -11.846 12.363 8.880 1.00 0.00 H new ATOM 0 HA SER A 6 -9.929 14.592 8.522 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.141 13.527 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.014 12.358 7.796 1.00 0.00 H new ATOM 0 HG SER A 6 -9.976 11.453 5.890 1.00 0.00 H new ATOM 59 N GLY A 7 -12.690 13.750 6.914 1.00 0.00 N ATOM 60 CA GLY A 7 -13.780 14.299 6.128 1.00 0.00 C ATOM 61 C GLY A 7 -13.808 13.754 4.714 1.00 0.00 C ATOM 62 O GLY A 7 -14.804 13.169 4.285 1.00 0.00 O ATOM 0 H GLY A 7 -12.793 12.766 7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.727 14.075 6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.688 15.385 6.094 1.00 0.00 H new ATOM 66 N LEU A 8 -12.713 13.945 3.986 1.00 0.00 N ATOM 67 CA LEU A 8 -12.616 13.469 2.611 1.00 0.00 C ATOM 68 C LEU A 8 -11.432 12.523 2.444 1.00 0.00 C ATOM 69 O LEU A 8 -10.375 12.725 3.042 1.00 0.00 O ATOM 70 CB LEU A 8 -12.478 14.651 1.650 1.00 0.00 C ATOM 71 CG LEU A 8 -13.759 15.438 1.365 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.431 16.879 1.006 1.00 0.00 C ATOM 73 CD2 LEU A 8 -14.554 14.776 0.250 1.00 0.00 C ATOM 0 H LEU A 8 -11.880 14.426 4.325 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.530 12.923 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.736 15.338 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.085 14.280 0.703 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.370 15.440 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.354 17.423 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.904 17.350 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.799 16.898 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.462 15.349 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.950 14.742 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.821 13.761 0.546 1.00 0.00 H new ATOM 85 N GLU A 9 -11.615 11.492 1.626 1.00 0.00 N ATOM 86 CA GLU A 9 -10.560 10.516 1.380 1.00 0.00 C ATOM 87 C GLU A 9 -9.874 10.781 0.043 1.00 0.00 C ATOM 88 O GLU A 9 -10.402 10.438 -1.015 1.00 0.00 O ATOM 89 CB GLU A 9 -11.132 9.097 1.400 1.00 0.00 C ATOM 90 CG GLU A 9 -11.592 8.645 2.776 1.00 0.00 C ATOM 91 CD GLU A 9 -12.897 9.293 3.197 1.00 0.00 C ATOM 92 OE1 GLU A 9 -13.778 9.469 2.329 1.00 0.00 O ATOM 93 OE2 GLU A 9 -13.037 9.624 4.393 1.00 0.00 O ATOM 0 H GLU A 9 -12.483 11.311 1.123 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.819 10.612 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.974 9.044 0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.375 8.404 1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.712 7.562 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.820 8.881 3.509 1.00 0.00 H new ATOM 100 N GLU A 10 -8.696 11.394 0.099 1.00 0.00 N ATOM 101 CA GLU A 10 -7.939 11.706 -1.107 1.00 0.00 C ATOM 102 C GLU A 10 -7.063 10.527 -1.520 1.00 0.00 C ATOM 103 O GLU A 10 -7.079 10.102 -2.676 1.00 0.00 O ATOM 104 CB GLU A 10 -7.072 12.947 -0.885 1.00 0.00 C ATOM 105 CG GLU A 10 -7.873 14.215 -0.649 1.00 0.00 C ATOM 106 CD GLU A 10 -8.876 14.487 -1.754 1.00 0.00 C ATOM 107 OE1 GLU A 10 -10.025 14.010 -1.644 1.00 0.00 O ATOM 108 OE2 GLU A 10 -8.511 15.176 -2.729 1.00 0.00 O ATOM 0 H GLU A 10 -8.245 11.684 0.967 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.649 11.907 -1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.419 12.775 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.429 13.090 -1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.399 14.136 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.191 15.061 -0.567 1.00 0.00 H new ATOM 115 N VAL A 11 -6.298 10.003 -0.568 1.00 0.00 N ATOM 116 CA VAL A 11 -5.415 8.873 -0.831 1.00 0.00 C ATOM 117 C VAL A 11 -6.188 7.558 -0.822 1.00 0.00 C ATOM 118 O VAL A 11 -6.772 7.179 0.193 1.00 0.00 O ATOM 119 CB VAL A 11 -4.279 8.795 0.205 1.00 0.00 C ATOM 120 CG1 VAL A 11 -3.355 7.627 -0.102 1.00 0.00 C ATOM 121 CG2 VAL A 11 -3.503 10.103 0.243 1.00 0.00 C ATOM 0 H VAL A 11 -6.272 10.343 0.393 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.984 9.031 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.719 8.630 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.558 7.588 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.923 6.697 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.921 7.757 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.704 10.031 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.074 10.300 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.175 10.917 0.515 1.00 0.00 H new ATOM 131 N GLN A 12 -6.185 6.868 -1.958 1.00 0.00 N ATOM 132 CA GLN A 12 -6.886 5.595 -2.079 1.00 0.00 C ATOM 133 C GLN A 12 -5.903 4.452 -2.309 1.00 0.00 C ATOM 134 O GLN A 12 -5.568 4.127 -3.449 1.00 0.00 O ATOM 135 CB GLN A 12 -7.896 5.653 -3.227 1.00 0.00 C ATOM 136 CG GLN A 12 -8.863 4.481 -3.246 1.00 0.00 C ATOM 137 CD GLN A 12 -9.905 4.601 -4.340 1.00 0.00 C ATOM 138 OE1 GLN A 12 -9.980 5.616 -5.033 1.00 0.00 O ATOM 139 NE2 GLN A 12 -10.718 3.564 -4.501 1.00 0.00 N ATOM 0 H GLN A 12 -5.706 7.169 -2.807 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.417 5.411 -1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.464 6.581 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.356 5.683 -4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.303 3.556 -3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.363 4.412 -2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.621 2.742 -3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.440 3.589 -5.221 1.00 0.00 H new ATOM 148 N LEU A 13 -5.443 3.847 -1.220 1.00 0.00 N ATOM 149 CA LEU A 13 -4.497 2.739 -1.302 1.00 0.00 C ATOM 150 C LEU A 13 -5.157 1.503 -1.904 1.00 0.00 C ATOM 151 O LEU A 13 -5.850 0.757 -1.212 1.00 0.00 O ATOM 152 CB LEU A 13 -3.944 2.411 0.086 1.00 0.00 C ATOM 153 CG LEU A 13 -3.287 1.038 0.240 1.00 0.00 C ATOM 154 CD1 LEU A 13 -1.939 1.010 -0.462 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.133 0.683 1.711 1.00 0.00 C ATOM 0 H LEU A 13 -5.709 4.105 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.676 3.042 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.212 3.174 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.759 2.485 0.806 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.931 0.293 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.487 0.026 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.077 1.219 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.286 1.765 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.664 -0.297 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.510 1.430 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.114 0.661 2.185 1.00 0.00 H new ATOM 167 N VAL A 14 -4.935 1.290 -3.197 1.00 0.00 N ATOM 168 CA VAL A 14 -5.506 0.143 -3.892 1.00 0.00 C ATOM 169 C VAL A 14 -4.516 -1.016 -3.944 1.00 0.00 C ATOM 170 O VAL A 14 -3.487 -0.939 -4.615 1.00 0.00 O ATOM 171 CB VAL A 14 -5.926 0.508 -5.328 1.00 0.00 C ATOM 172 CG1 VAL A 14 -6.553 -0.691 -6.023 1.00 0.00 C ATOM 173 CG2 VAL A 14 -6.885 1.690 -5.318 1.00 0.00 C ATOM 0 H VAL A 14 -4.363 1.897 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.389 -0.160 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.035 0.796 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.843 -0.413 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.831 -1.507 -6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.434 -1.013 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.172 1.935 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.775 1.432 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.396 2.551 -4.862 1.00 0.00 H new ATOM 183 N VAL A 15 -4.835 -2.092 -3.230 1.00 0.00 N ATOM 184 CA VAL A 15 -3.975 -3.268 -3.196 1.00 0.00 C ATOM 185 C VAL A 15 -4.578 -4.413 -4.002 1.00 0.00 C ATOM 186 O VAL A 15 -5.785 -4.453 -4.235 1.00 0.00 O ATOM 187 CB VAL A 15 -3.734 -3.745 -1.751 1.00 0.00 C ATOM 188 CG1 VAL A 15 -3.048 -2.657 -0.938 1.00 0.00 C ATOM 189 CG2 VAL A 15 -5.045 -4.161 -1.101 1.00 0.00 C ATOM 0 H VAL A 15 -5.682 -2.173 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.023 -2.977 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.077 -4.615 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.886 -3.011 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.089 -2.412 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.677 -1.767 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.855 -4.495 -0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.728 -3.312 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.492 -4.975 -1.672 1.00 0.00 H new ATOM 199 N GLU A 16 -3.727 -5.343 -4.426 1.00 0.00 N ATOM 200 CA GLU A 16 -4.176 -6.489 -5.208 1.00 0.00 C ATOM 201 C GLU A 16 -3.591 -7.786 -4.657 1.00 0.00 C ATOM 202 O GLU A 16 -2.376 -7.984 -4.622 1.00 0.00 O ATOM 203 CB GLU A 16 -3.779 -6.321 -6.676 1.00 0.00 C ATOM 204 CG GLU A 16 -4.658 -5.341 -7.435 1.00 0.00 C ATOM 205 CD GLU A 16 -5.855 -6.011 -8.082 1.00 0.00 C ATOM 206 OE1 GLU A 16 -5.655 -6.790 -9.037 1.00 0.00 O ATOM 207 OE2 GLU A 16 -6.992 -5.755 -7.632 1.00 0.00 O ATOM 0 H GLU A 16 -2.724 -5.325 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.262 -6.541 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.744 -5.983 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.822 -7.292 -7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.005 -4.566 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.064 -4.846 -8.203 1.00 0.00 H new ATOM 214 N PRO A 17 -4.475 -8.693 -4.215 1.00 0.00 N ATOM 215 CA PRO A 17 -5.923 -8.469 -4.250 1.00 0.00 C ATOM 216 C PRO A 17 -6.370 -7.404 -3.255 1.00 0.00 C ATOM 217 O PRO A 17 -5.605 -7.001 -2.379 1.00 0.00 O ATOM 218 CB PRO A 17 -6.502 -9.834 -3.869 1.00 0.00 C ATOM 219 CG PRO A 17 -5.430 -10.490 -3.069 1.00 0.00 C ATOM 220 CD PRO A 17 -4.129 -10.006 -3.645 1.00 0.00 C ATOM 0 HA PRO A 17 -6.256 -8.106 -5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.419 -9.727 -3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.750 -10.420 -4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.512 -10.225 -2.015 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.505 -11.576 -3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.358 -9.921 -2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.749 -10.687 -4.406 1.00 0.00 H new ATOM 228 N GLU A 18 -7.612 -6.953 -3.395 1.00 0.00 N ATOM 229 CA GLU A 18 -8.159 -5.934 -2.507 1.00 0.00 C ATOM 230 C GLU A 18 -8.083 -6.383 -1.051 1.00 0.00 C ATOM 231 O GLU A 18 -7.528 -5.687 -0.203 1.00 0.00 O ATOM 232 CB GLU A 18 -9.610 -5.624 -2.882 1.00 0.00 C ATOM 233 CG GLU A 18 -10.072 -4.246 -2.440 1.00 0.00 C ATOM 234 CD GLU A 18 -11.332 -3.796 -3.154 1.00 0.00 C ATOM 235 OE1 GLU A 18 -12.209 -4.650 -3.406 1.00 0.00 O ATOM 236 OE2 GLU A 18 -11.442 -2.591 -3.461 1.00 0.00 O ATOM 0 H GLU A 18 -8.258 -7.277 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.561 -5.030 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.722 -5.706 -3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.260 -6.376 -2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.252 -4.255 -1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.277 -3.524 -2.625 1.00 0.00 H new ATOM 243 N GLY A 19 -8.647 -7.554 -0.769 1.00 0.00 N ATOM 244 CA GLY A 19 -8.634 -8.077 0.585 1.00 0.00 C ATOM 245 C GLY A 19 -7.296 -7.879 1.270 1.00 0.00 C ATOM 246 O GLY A 19 -7.238 -7.639 2.475 1.00 0.00 O ATOM 0 H GLY A 19 -9.112 -8.149 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.413 -7.587 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.874 -9.140 0.563 1.00 0.00 H new ATOM 250 N GLY A 20 -6.217 -7.980 0.499 1.00 0.00 N ATOM 251 CA GLY A 20 -4.888 -7.808 1.057 1.00 0.00 C ATOM 252 C GLY A 20 -4.286 -9.115 1.533 1.00 0.00 C ATOM 253 O GLY A 20 -3.564 -9.148 2.528 1.00 0.00 O ATOM 0 H GLY A 20 -6.240 -8.178 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.236 -7.364 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.935 -7.108 1.891 1.00 0.00 H new ATOM 257 N ALA A 21 -4.586 -10.197 0.821 1.00 0.00 N ATOM 258 CA ALA A 21 -4.069 -11.513 1.175 1.00 0.00 C ATOM 259 C ALA A 21 -3.779 -12.343 -0.070 1.00 0.00 C ATOM 260 O ALA A 21 -4.467 -12.220 -1.084 1.00 0.00 O ATOM 261 CB ALA A 21 -5.053 -12.240 2.080 1.00 0.00 C ATOM 0 H ALA A 21 -5.185 -10.188 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.131 -11.375 1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.654 -13.221 2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.206 -11.661 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.004 -12.359 1.562 1.00 0.00 H new ATOM 267 N VAL A 22 -2.757 -13.188 0.012 1.00 0.00 N ATOM 268 CA VAL A 22 -2.376 -14.040 -1.109 1.00 0.00 C ATOM 269 C VAL A 22 -1.607 -15.266 -0.631 1.00 0.00 C ATOM 270 O VAL A 22 -1.010 -15.256 0.444 1.00 0.00 O ATOM 271 CB VAL A 22 -1.515 -13.272 -2.130 1.00 0.00 C ATOM 272 CG1 VAL A 22 -2.271 -12.067 -2.667 1.00 0.00 C ATOM 273 CG2 VAL A 22 -0.196 -12.848 -1.501 1.00 0.00 C ATOM 0 H VAL A 22 -2.177 -13.301 0.843 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.299 -14.360 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.296 -13.935 -2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.647 -11.537 -3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.186 -12.400 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.523 -11.399 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.400 -12.307 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.392 -12.202 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.350 -13.732 -1.171 1.00 0.00 H new ATOM 283 N ALA A 23 -1.626 -16.321 -1.439 1.00 0.00 N ATOM 284 CA ALA A 23 -0.928 -17.555 -1.101 1.00 0.00 C ATOM 285 C ALA A 23 0.568 -17.312 -0.935 1.00 0.00 C ATOM 286 O ALA A 23 1.108 -16.293 -1.368 1.00 0.00 O ATOM 287 CB ALA A 23 -1.178 -18.613 -2.166 1.00 0.00 C ATOM 0 H ALA A 23 -2.117 -16.346 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.319 -17.915 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.650 -19.529 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.247 -18.816 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.816 -18.253 -3.129 1.00 0.00 H new ATOM 293 N PRO A 24 1.257 -18.268 -0.295 1.00 0.00 N ATOM 294 CA PRO A 24 2.701 -18.180 -0.058 1.00 0.00 C ATOM 295 C PRO A 24 3.509 -18.322 -1.343 1.00 0.00 C ATOM 296 O PRO A 24 3.903 -19.425 -1.721 1.00 0.00 O ATOM 297 CB PRO A 24 2.979 -19.356 0.882 1.00 0.00 C ATOM 298 CG PRO A 24 1.888 -20.331 0.601 1.00 0.00 C ATOM 299 CD PRO A 24 0.679 -19.509 0.247 1.00 0.00 C ATOM 0 HA PRO A 24 2.988 -17.212 0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.959 -19.793 0.691 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.969 -19.040 1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.161 -20.997 -0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.692 -20.959 1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.051 -20.014 -0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.056 -19.314 1.120 1.00 0.00 H new ATOM 307 N GLY A 25 3.753 -17.199 -2.011 1.00 0.00 N ATOM 308 CA GLY A 25 4.514 -17.221 -3.247 1.00 0.00 C ATOM 309 C GLY A 25 3.803 -16.503 -4.378 1.00 0.00 C ATOM 310 O GLY A 25 4.092 -16.739 -5.550 1.00 0.00 O ATOM 0 H GLY A 25 3.437 -16.274 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.486 -16.757 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.700 -18.255 -3.537 1.00 0.00 H new ATOM 314 N GLY A 26 2.870 -15.625 -4.025 1.00 0.00 N ATOM 315 CA GLY A 26 2.129 -14.885 -5.031 1.00 0.00 C ATOM 316 C GLY A 26 2.740 -13.528 -5.319 1.00 0.00 C ATOM 317 O GLY A 26 3.925 -13.306 -5.070 1.00 0.00 O ATOM 0 H GLY A 26 2.614 -15.412 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.093 -15.467 -5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.100 -14.753 -4.696 1.00 0.00 H new ATOM 321 N THR A 27 1.929 -12.617 -5.848 1.00 0.00 N ATOM 322 CA THR A 27 2.397 -11.275 -6.174 1.00 0.00 C ATOM 323 C THR A 27 1.318 -10.235 -5.896 1.00 0.00 C ATOM 324 O THR A 27 0.209 -10.320 -6.422 1.00 0.00 O ATOM 325 CB THR A 27 2.825 -11.173 -7.650 1.00 0.00 C ATOM 326 OG1 THR A 27 3.795 -12.183 -7.951 1.00 0.00 O ATOM 327 CG2 THR A 27 3.406 -9.799 -7.951 1.00 0.00 C ATOM 0 H THR A 27 0.945 -12.784 -6.060 1.00 0.00 H new ATOM 0 HA THR A 27 3.261 -11.077 -5.539 1.00 0.00 H new ATOM 0 HB THR A 27 1.942 -11.322 -8.272 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.060 -12.112 -8.892 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.701 -9.750 -8.999 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.656 -9.035 -7.750 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.278 -9.627 -7.320 1.00 0.00 H new ATOM 335 N VAL A 28 1.652 -9.251 -5.066 1.00 0.00 N ATOM 336 CA VAL A 28 0.712 -8.192 -4.720 1.00 0.00 C ATOM 337 C VAL A 28 1.161 -6.850 -5.288 1.00 0.00 C ATOM 338 O VAL A 28 2.336 -6.491 -5.206 1.00 0.00 O ATOM 339 CB VAL A 28 0.550 -8.062 -3.194 1.00 0.00 C ATOM 340 CG1 VAL A 28 -0.307 -6.853 -2.848 1.00 0.00 C ATOM 341 CG2 VAL A 28 -0.049 -9.334 -2.612 1.00 0.00 C ATOM 0 H VAL A 28 2.566 -9.166 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.248 -8.466 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 28 1.536 -7.916 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.410 -6.778 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.167 -5.949 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.293 -6.965 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.157 -9.225 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.027 -9.513 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.607 -10.177 -2.828 1.00 0.00 H new ATOM 351 N THR A 29 0.218 -6.112 -5.865 1.00 0.00 N ATOM 352 CA THR A 29 0.516 -4.810 -6.447 1.00 0.00 C ATOM 353 C THR A 29 -0.168 -3.690 -5.671 1.00 0.00 C ATOM 354 O THR A 29 -1.388 -3.535 -5.731 1.00 0.00 O ATOM 355 CB THR A 29 0.076 -4.740 -7.922 1.00 0.00 C ATOM 356 OG1 THR A 29 0.644 -5.832 -8.654 1.00 0.00 O ATOM 357 CG2 THR A 29 0.503 -3.423 -8.552 1.00 0.00 C ATOM 0 H THR A 29 -0.759 -6.394 -5.942 1.00 0.00 H new ATOM 0 HA THR A 29 1.597 -4.679 -6.391 1.00 0.00 H new ATOM 0 HB THR A 29 -1.011 -4.805 -7.958 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.359 -5.782 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.181 -3.397 -9.593 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.046 -2.595 -8.010 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.588 -3.332 -8.505 1.00 0.00 H new ATOM 365 N LEU A 30 0.625 -2.911 -4.944 1.00 0.00 N ATOM 366 CA LEU A 30 0.095 -1.804 -4.155 1.00 0.00 C ATOM 367 C LEU A 30 0.179 -0.494 -4.932 1.00 0.00 C ATOM 368 O LEU A 30 1.267 0.032 -5.171 1.00 0.00 O ATOM 369 CB LEU A 30 0.861 -1.678 -2.837 1.00 0.00 C ATOM 370 CG LEU A 30 0.651 -2.808 -1.829 1.00 0.00 C ATOM 371 CD1 LEU A 30 1.677 -3.910 -2.041 1.00 0.00 C ATOM 372 CD2 LEU A 30 0.726 -2.273 -0.406 1.00 0.00 C ATOM 0 H LEU A 30 1.637 -3.025 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.953 -2.012 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.925 -1.613 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.578 -0.738 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.342 -3.230 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.512 -4.706 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.576 -4.312 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.680 -3.503 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.574 -3.091 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.705 -1.825 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.048 -1.519 -0.259 1.00 0.00 H new ATOM 384 N THR A 31 -0.979 0.031 -5.323 1.00 0.00 N ATOM 385 CA THR A 31 -1.037 1.280 -6.072 1.00 0.00 C ATOM 386 C THR A 31 -1.676 2.389 -5.243 1.00 0.00 C ATOM 387 O THR A 31 -2.798 2.245 -4.755 1.00 0.00 O ATOM 388 CB THR A 31 -1.828 1.113 -7.383 1.00 0.00 C ATOM 389 OG1 THR A 31 -1.478 -0.124 -8.012 1.00 0.00 O ATOM 390 CG2 THR A 31 -1.551 2.268 -8.333 1.00 0.00 C ATOM 0 H THR A 31 -1.889 -0.390 -5.133 1.00 0.00 H new ATOM 0 HA THR A 31 -0.009 1.554 -6.310 1.00 0.00 H new ATOM 0 HB THR A 31 -2.891 1.109 -7.142 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.986 -0.223 -8.844 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.121 2.128 -9.252 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.847 3.205 -7.862 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.487 2.299 -8.567 1.00 0.00 H new ATOM 398 N CYS A 32 -0.957 3.495 -5.087 1.00 0.00 N ATOM 399 CA CYS A 32 -1.454 4.629 -4.318 1.00 0.00 C ATOM 400 C CYS A 32 -1.272 5.932 -5.090 1.00 0.00 C ATOM 401 O CYS A 32 -0.752 6.912 -4.559 1.00 0.00 O ATOM 402 CB CYS A 32 -0.730 4.716 -2.973 1.00 0.00 C ATOM 403 SG CYS A 32 -1.592 5.728 -1.728 1.00 0.00 S ATOM 0 H CYS A 32 -0.027 3.630 -5.484 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.519 4.477 -4.142 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.597 3.709 -2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.266 5.129 -3.135 1.00 0.00 H new ATOM 408 N GLU A 33 -1.705 5.934 -6.347 1.00 0.00 N ATOM 409 CA GLU A 33 -1.590 7.116 -7.193 1.00 0.00 C ATOM 410 C GLU A 33 -2.447 8.258 -6.652 1.00 0.00 C ATOM 411 O GLU A 33 -3.094 8.125 -5.614 1.00 0.00 O ATOM 412 CB GLU A 33 -2.006 6.787 -8.628 1.00 0.00 C ATOM 413 CG GLU A 33 -0.873 6.240 -9.480 1.00 0.00 C ATOM 414 CD GLU A 33 -1.266 6.070 -10.934 1.00 0.00 C ATOM 415 OE1 GLU A 33 -1.525 7.093 -11.603 1.00 0.00 O ATOM 416 OE2 GLU A 33 -1.314 4.914 -11.404 1.00 0.00 O ATOM 0 H GLU A 33 -2.138 5.130 -6.802 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.547 7.434 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.816 6.058 -8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.401 7.687 -9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.017 6.912 -9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.554 5.278 -9.079 1.00 0.00 H new ATOM 423 N VAL A 34 -2.445 9.380 -7.365 1.00 0.00 N ATOM 424 CA VAL A 34 -3.222 10.545 -6.958 1.00 0.00 C ATOM 425 C VAL A 34 -3.892 11.205 -8.158 1.00 0.00 C ATOM 426 O VAL A 34 -3.298 11.357 -9.226 1.00 0.00 O ATOM 427 CB VAL A 34 -2.341 11.584 -6.239 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.176 12.775 -5.795 1.00 0.00 C ATOM 429 CG2 VAL A 34 -1.629 10.949 -5.054 1.00 0.00 C ATOM 0 H VAL A 34 -1.914 9.507 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.988 10.190 -6.268 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.585 11.941 -6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.537 13.499 -5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.635 13.243 -6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.955 12.438 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.011 11.697 -4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.367 10.563 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.999 10.132 -5.404 1.00 0.00 H new ATOM 439 N PRO A 35 -5.159 11.608 -7.981 1.00 0.00 N ATOM 440 CA PRO A 35 -5.937 12.260 -9.039 1.00 0.00 C ATOM 441 C PRO A 35 -5.430 13.664 -9.349 1.00 0.00 C ATOM 442 O PRO A 35 -5.204 14.010 -10.508 1.00 0.00 O ATOM 443 CB PRO A 35 -7.350 12.318 -8.454 1.00 0.00 C ATOM 444 CG PRO A 35 -7.151 12.301 -6.978 1.00 0.00 C ATOM 445 CD PRO A 35 -5.929 11.458 -6.735 1.00 0.00 C ATOM 0 HA PRO A 35 -5.874 11.720 -9.984 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -7.873 13.220 -8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.949 11.469 -8.782 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.012 13.311 -6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.021 11.883 -6.472 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.365 11.807 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.190 10.417 -6.547 1.00 0.00 H new ATOM 453 N ALA A 36 -5.254 14.469 -8.306 1.00 0.00 N ATOM 454 CA ALA A 36 -4.772 15.835 -8.468 1.00 0.00 C ATOM 455 C ALA A 36 -3.315 15.853 -8.919 1.00 0.00 C ATOM 456 O ALA A 36 -2.966 16.517 -9.894 1.00 0.00 O ATOM 457 CB ALA A 36 -4.934 16.609 -7.169 1.00 0.00 C ATOM 0 H ALA A 36 -5.438 14.198 -7.340 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.370 16.316 -9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.570 17.627 -7.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.987 16.634 -6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.361 16.121 -6.381 1.00 0.00 H new ATOM 463 N GLN A 37 -2.469 15.119 -8.202 1.00 0.00 N ATOM 464 CA GLN A 37 -1.050 15.053 -8.528 1.00 0.00 C ATOM 465 C GLN A 37 -0.763 13.897 -9.480 1.00 0.00 C ATOM 466 O GLN A 37 -1.109 12.744 -9.217 1.00 0.00 O ATOM 467 CB GLN A 37 -0.219 14.898 -7.253 1.00 0.00 C ATOM 468 CG GLN A 37 1.281 14.984 -7.490 1.00 0.00 C ATOM 469 CD GLN A 37 1.775 16.414 -7.589 1.00 0.00 C ATOM 470 OE1 GLN A 37 1.078 17.290 -8.103 1.00 0.00 O ATOM 471 NE2 GLN A 37 2.984 16.658 -7.097 1.00 0.00 N ATOM 0 H GLN A 37 -2.742 14.562 -7.392 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.773 15.984 -9.023 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.511 15.671 -6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.451 13.938 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.803 14.479 -6.677 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.531 14.453 -8.408 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.527 15.902 -6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.370 17.601 -7.136 1.00 0.00 H new ATOM 480 N PRO A 38 -0.117 14.208 -10.613 1.00 0.00 N ATOM 481 CA PRO A 38 0.231 13.208 -11.626 1.00 0.00 C ATOM 482 C PRO A 38 1.321 12.254 -11.150 1.00 0.00 C ATOM 483 O PRO A 38 1.172 11.035 -11.231 1.00 0.00 O ATOM 484 CB PRO A 38 0.734 14.052 -12.800 1.00 0.00 C ATOM 485 CG PRO A 38 1.217 15.316 -12.177 1.00 0.00 C ATOM 486 CD PRO A 38 0.326 15.561 -10.991 1.00 0.00 C ATOM 0 HA PRO A 38 -0.616 12.569 -11.875 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.535 13.545 -13.338 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.062 14.244 -13.519 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.259 15.226 -11.870 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.163 16.144 -12.883 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.864 16.050 -10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.517 16.203 -11.247 1.00 0.00 H new ATOM 494 N SER A 39 2.418 12.818 -10.654 1.00 0.00 N ATOM 495 CA SER A 39 3.536 12.017 -10.168 1.00 0.00 C ATOM 496 C SER A 39 3.866 12.368 -8.720 1.00 0.00 C ATOM 497 O SER A 39 4.909 12.949 -8.418 1.00 0.00 O ATOM 498 CB SER A 39 4.767 12.232 -11.050 1.00 0.00 C ATOM 499 OG SER A 39 4.510 11.839 -12.387 1.00 0.00 O ATOM 0 H SER A 39 2.556 13.826 -10.578 1.00 0.00 H new ATOM 0 HA SER A 39 3.245 10.967 -10.213 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.057 13.282 -11.026 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.606 11.660 -10.654 1.00 0.00 H new ATOM 0 HG SER A 39 5.311 11.988 -12.931 1.00 0.00 H new ATOM 505 N PRO A 40 2.957 12.007 -7.802 1.00 0.00 N ATOM 506 CA PRO A 40 3.129 12.273 -6.371 1.00 0.00 C ATOM 507 C PRO A 40 4.234 11.424 -5.752 1.00 0.00 C ATOM 508 O PRO A 40 4.590 10.372 -6.282 1.00 0.00 O ATOM 509 CB PRO A 40 1.770 11.898 -5.775 1.00 0.00 C ATOM 510 CG PRO A 40 1.198 10.907 -6.730 1.00 0.00 C ATOM 511 CD PRO A 40 1.692 11.312 -8.091 1.00 0.00 C ATOM 0 HA PRO A 40 3.423 13.305 -6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.879 11.470 -4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.126 12.772 -5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.520 9.896 -6.483 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.109 10.912 -6.692 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.847 10.447 -8.736 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.982 11.965 -8.598 1.00 0.00 H new ATOM 519 N GLN A 41 4.773 11.888 -4.629 1.00 0.00 N ATOM 520 CA GLN A 41 5.838 11.171 -3.940 1.00 0.00 C ATOM 521 C GLN A 41 5.265 10.219 -2.895 1.00 0.00 C ATOM 522 O GLN A 41 4.987 10.618 -1.763 1.00 0.00 O ATOM 523 CB GLN A 41 6.800 12.157 -3.275 1.00 0.00 C ATOM 524 CG GLN A 41 7.734 12.850 -4.255 1.00 0.00 C ATOM 525 CD GLN A 41 8.933 13.478 -3.573 1.00 0.00 C ATOM 526 OE1 GLN A 41 9.443 12.955 -2.582 1.00 0.00 O ATOM 527 NE2 GLN A 41 9.390 14.607 -4.101 1.00 0.00 N ATOM 0 H GLN A 41 4.489 12.757 -4.177 1.00 0.00 H new ATOM 0 HA GLN A 41 6.384 10.585 -4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.222 12.911 -2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.395 11.626 -2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.079 12.128 -4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.182 13.620 -4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.937 15.006 -4.923 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.194 15.076 -3.685 1.00 0.00 H new ATOM 536 N ILE A 42 5.091 8.959 -3.281 1.00 0.00 N ATOM 537 CA ILE A 42 4.552 7.951 -2.377 1.00 0.00 C ATOM 538 C ILE A 42 5.670 7.173 -1.691 1.00 0.00 C ATOM 539 O ILE A 42 6.582 6.668 -2.347 1.00 0.00 O ATOM 540 CB ILE A 42 3.634 6.962 -3.119 1.00 0.00 C ATOM 541 CG1 ILE A 42 2.287 7.617 -3.429 1.00 0.00 C ATOM 542 CG2 ILE A 42 3.438 5.699 -2.294 1.00 0.00 C ATOM 543 CD1 ILE A 42 2.247 8.311 -4.772 1.00 0.00 C ATOM 0 H ILE A 42 5.316 8.612 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 42 3.968 8.482 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 42 4.108 6.687 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.507 6.856 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.056 8.341 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.787 5.010 -2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.404 5.224 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.983 5.956 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.262 8.752 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.004 9.095 -4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.446 7.587 -5.562 1.00 0.00 H new ATOM 555 N HIS A 43 5.593 7.080 -0.367 1.00 0.00 N ATOM 556 CA HIS A 43 6.598 6.361 0.408 1.00 0.00 C ATOM 557 C HIS A 43 5.996 5.119 1.059 1.00 0.00 C ATOM 558 O HIS A 43 4.924 5.181 1.662 1.00 0.00 O ATOM 559 CB HIS A 43 7.195 7.274 1.479 1.00 0.00 C ATOM 560 CG HIS A 43 8.062 8.362 0.924 1.00 0.00 C ATOM 561 ND1 HIS A 43 7.596 9.323 0.051 1.00 0.00 N ATOM 562 CD2 HIS A 43 9.371 8.640 1.123 1.00 0.00 C ATOM 563 CE1 HIS A 43 8.583 10.143 -0.264 1.00 0.00 C ATOM 564 NE2 HIS A 43 9.671 9.751 0.374 1.00 0.00 N ATOM 0 H HIS A 43 4.846 7.493 0.191 1.00 0.00 H new ATOM 0 HA HIS A 43 7.389 6.046 -0.272 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.385 7.724 2.054 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.782 6.671 2.172 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.053 8.090 1.754 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.512 10.990 -0.930 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.585 10.200 0.319 1.00 0.00 H new ATOM 573 N TRP A 44 6.691 3.995 0.932 1.00 0.00 N ATOM 574 CA TRP A 44 6.224 2.739 1.507 1.00 0.00 C ATOM 575 C TRP A 44 6.952 2.433 2.811 1.00 0.00 C ATOM 576 O TRP A 44 8.175 2.295 2.832 1.00 0.00 O ATOM 577 CB TRP A 44 6.427 1.593 0.515 1.00 0.00 C ATOM 578 CG TRP A 44 5.713 1.800 -0.787 1.00 0.00 C ATOM 579 CD1 TRP A 44 6.265 2.203 -1.969 1.00 0.00 C ATOM 580 CD2 TRP A 44 4.315 1.617 -1.036 1.00 0.00 C ATOM 581 NE1 TRP A 44 5.294 2.282 -2.938 1.00 0.00 N ATOM 582 CE2 TRP A 44 4.089 1.926 -2.391 1.00 0.00 C ATOM 583 CE3 TRP A 44 3.232 1.220 -0.246 1.00 0.00 C ATOM 584 CZ2 TRP A 44 2.826 1.851 -2.971 1.00 0.00 C ATOM 585 CZ3 TRP A 44 1.979 1.146 -0.823 1.00 0.00 C ATOM 586 CH2 TRP A 44 1.784 1.460 -2.175 1.00 0.00 C ATOM 0 H TRP A 44 7.580 3.927 0.436 1.00 0.00 H new ATOM 0 HA TRP A 44 5.160 2.840 1.722 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.493 1.474 0.322 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.080 0.664 0.968 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.311 2.427 -2.120 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.446 2.561 -3.907 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.372 0.976 0.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.674 2.093 -4.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.135 0.841 -0.222 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.792 1.392 -2.597 1.00 0.00 H new ATOM 597 N MET A 45 6.194 2.330 3.897 1.00 0.00 N ATOM 598 CA MET A 45 6.769 2.039 5.206 1.00 0.00 C ATOM 599 C MET A 45 6.319 0.670 5.705 1.00 0.00 C ATOM 600 O MET A 45 5.285 0.152 5.282 1.00 0.00 O ATOM 601 CB MET A 45 6.369 3.119 6.213 1.00 0.00 C ATOM 602 CG MET A 45 6.711 4.529 5.761 1.00 0.00 C ATOM 603 SD MET A 45 6.007 5.793 6.836 1.00 0.00 S ATOM 604 CE MET A 45 6.916 5.494 8.350 1.00 0.00 C ATOM 0 H MET A 45 5.180 2.444 3.897 1.00 0.00 H new ATOM 0 HA MET A 45 7.854 2.030 5.105 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.296 3.055 6.395 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.866 2.920 7.163 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.795 4.644 5.732 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.347 4.679 4.744 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.826 6.360 9.006 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.509 4.616 8.851 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.967 5.324 8.116 1.00 0.00 H new ATOM 614 N LYS A 46 7.102 0.087 6.607 1.00 0.00 N ATOM 615 CA LYS A 46 6.784 -1.222 7.165 1.00 0.00 C ATOM 616 C LYS A 46 6.890 -1.204 8.687 1.00 0.00 C ATOM 617 O LYS A 46 7.989 -1.188 9.242 1.00 0.00 O ATOM 618 CB LYS A 46 7.723 -2.285 6.590 1.00 0.00 C ATOM 619 CG LYS A 46 7.313 -3.707 6.934 1.00 0.00 C ATOM 620 CD LYS A 46 7.828 -4.699 5.905 1.00 0.00 C ATOM 621 CE LYS A 46 7.620 -6.135 6.362 1.00 0.00 C ATOM 622 NZ LYS A 46 8.480 -6.475 7.530 1.00 0.00 N ATOM 0 H LYS A 46 7.962 0.501 6.967 1.00 0.00 H new ATOM 0 HA LYS A 46 5.757 -1.467 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.759 -2.178 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.732 -2.106 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.699 -3.970 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.226 -3.770 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.315 -4.540 4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.889 -4.523 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.573 -6.284 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.841 -6.814 5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.533 -7.509 7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.436 -6.093 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.073 -6.061 8.393 1.00 0.00 H new ATOM 636 N ASP A 47 5.742 -1.209 9.355 1.00 0.00 N ATOM 637 CA ASP A 47 5.706 -1.197 10.813 1.00 0.00 C ATOM 638 C ASP A 47 6.332 0.082 11.361 1.00 0.00 C ATOM 639 O ASP A 47 6.863 0.099 12.471 1.00 0.00 O ATOM 640 CB ASP A 47 6.438 -2.418 11.373 1.00 0.00 C ATOM 641 CG ASP A 47 5.569 -3.660 11.384 1.00 0.00 C ATOM 642 OD1 ASP A 47 4.419 -3.575 11.863 1.00 0.00 O ATOM 643 OD2 ASP A 47 6.038 -4.716 10.911 1.00 0.00 O ATOM 0 H ASP A 47 4.824 -1.221 8.910 1.00 0.00 H new ATOM 0 HA ASP A 47 4.663 -1.233 11.126 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.330 -2.608 10.777 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.773 -2.203 12.388 1.00 0.00 H new ATOM 648 N GLY A 48 6.265 1.152 10.575 1.00 0.00 N ATOM 649 CA GLY A 48 6.829 2.420 10.998 1.00 0.00 C ATOM 650 C GLY A 48 8.193 2.680 10.388 1.00 0.00 C ATOM 651 O GLY A 48 8.564 3.828 10.147 1.00 0.00 O ATOM 0 H GLY A 48 5.830 1.163 9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.150 3.227 10.720 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.912 2.433 12.085 1.00 0.00 H new ATOM 655 N VAL A 49 8.942 1.610 10.141 1.00 0.00 N ATOM 656 CA VAL A 49 10.273 1.728 9.557 1.00 0.00 C ATOM 657 C VAL A 49 10.211 1.683 8.034 1.00 0.00 C ATOM 658 O VAL A 49 9.772 0.702 7.434 1.00 0.00 O ATOM 659 CB VAL A 49 11.206 0.608 10.055 1.00 0.00 C ATOM 660 CG1 VAL A 49 10.526 -0.748 9.930 1.00 0.00 C ATOM 661 CG2 VAL A 49 12.519 0.628 9.287 1.00 0.00 C ATOM 0 H VAL A 49 8.650 0.652 10.336 1.00 0.00 H new ATOM 0 HA VAL A 49 10.673 2.691 9.873 1.00 0.00 H new ATOM 0 HB VAL A 49 11.425 0.782 11.108 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.200 -1.527 10.286 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.615 -0.755 10.528 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.276 -0.935 8.886 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.166 -0.170 9.652 1.00 0.00 H new ATOM 0 HG22 VAL A 49 12.322 0.479 8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.011 1.590 9.433 1.00 0.00 H new ATOM 671 N PRO A 50 10.661 2.771 7.392 1.00 0.00 N ATOM 672 CA PRO A 50 10.668 2.881 5.930 1.00 0.00 C ATOM 673 C PRO A 50 11.693 1.955 5.284 1.00 0.00 C ATOM 674 O PRO A 50 12.874 1.980 5.634 1.00 0.00 O ATOM 675 CB PRO A 50 11.041 4.345 5.686 1.00 0.00 C ATOM 676 CG PRO A 50 11.800 4.751 6.902 1.00 0.00 C ATOM 677 CD PRO A 50 11.198 3.978 8.043 1.00 0.00 C ATOM 0 HA PRO A 50 9.711 2.593 5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.647 4.454 4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.153 4.962 5.549 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.861 4.524 6.794 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.719 5.825 7.072 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.944 3.729 8.798 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.415 4.546 8.544 1.00 0.00 H new ATOM 685 N LEU A 51 11.236 1.140 4.340 1.00 0.00 N ATOM 686 CA LEU A 51 12.114 0.206 3.644 1.00 0.00 C ATOM 687 C LEU A 51 12.951 0.926 2.593 1.00 0.00 C ATOM 688 O LEU A 51 12.512 1.893 1.969 1.00 0.00 O ATOM 689 CB LEU A 51 11.292 -0.903 2.986 1.00 0.00 C ATOM 690 CG LEU A 51 10.246 -1.580 3.872 1.00 0.00 C ATOM 691 CD1 LEU A 51 9.070 -2.062 3.038 1.00 0.00 C ATOM 692 CD2 LEU A 51 10.867 -2.738 4.641 1.00 0.00 C ATOM 0 H LEU A 51 10.262 1.107 4.039 1.00 0.00 H new ATOM 0 HA LEU A 51 12.788 -0.236 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.786 -0.485 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.978 -1.667 2.619 1.00 0.00 H new ATOM 0 HG LEU A 51 9.879 -0.848 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.336 -2.541 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.609 -1.213 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.420 -2.779 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.108 -3.208 5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.263 -3.471 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.675 -2.365 5.270 1.00 0.00 H new ATOM 704 N PRO A 52 14.186 0.445 2.388 1.00 0.00 N ATOM 705 CA PRO A 52 15.111 1.026 1.410 1.00 0.00 C ATOM 706 C PRO A 52 14.668 0.774 -0.027 1.00 0.00 C ATOM 707 O PRO A 52 15.098 -0.192 -0.660 1.00 0.00 O ATOM 708 CB PRO A 52 16.430 0.306 1.697 1.00 0.00 C ATOM 709 CG PRO A 52 16.029 -0.989 2.314 1.00 0.00 C ATOM 710 CD PRO A 52 14.775 -0.705 3.095 1.00 0.00 C ATOM 0 HA PRO A 52 15.173 2.110 1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.002 0.148 0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.060 0.887 2.371 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.850 -1.746 1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.816 -1.372 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.101 -1.562 3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.995 -0.467 4.136 1.00 0.00 H new ATOM 718 N LEU A 53 13.807 1.647 -0.538 1.00 0.00 N ATOM 719 CA LEU A 53 13.306 1.520 -1.902 1.00 0.00 C ATOM 720 C LEU A 53 12.844 2.869 -2.442 1.00 0.00 C ATOM 721 O LEU A 53 12.486 3.776 -1.690 1.00 0.00 O ATOM 722 CB LEU A 53 12.153 0.516 -1.951 1.00 0.00 C ATOM 723 CG LEU A 53 12.533 -0.953 -1.762 1.00 0.00 C ATOM 724 CD1 LEU A 53 11.287 -1.818 -1.662 1.00 0.00 C ATOM 725 CD2 LEU A 53 13.422 -1.425 -2.904 1.00 0.00 C ATOM 0 H LEU A 53 13.441 2.451 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 53 14.121 1.159 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.430 0.785 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.649 0.619 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 53 13.091 -1.047 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.577 -2.860 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.688 -1.496 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.701 -1.719 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 53 13.683 -2.473 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.889 -1.316 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.331 -0.825 -2.929 1.00 0.00 H new ATOM 737 N PRO A 54 12.848 3.007 -3.776 1.00 0.00 N ATOM 738 CA PRO A 54 12.430 4.242 -4.446 1.00 0.00 C ATOM 739 C PRO A 54 10.929 4.485 -4.328 1.00 0.00 C ATOM 740 O PRO A 54 10.115 3.572 -4.466 1.00 0.00 O ATOM 741 CB PRO A 54 12.819 4.003 -5.906 1.00 0.00 C ATOM 742 CG PRO A 54 12.821 2.521 -6.060 1.00 0.00 C ATOM 743 CD PRO A 54 13.262 1.968 -4.733 1.00 0.00 C ATOM 0 HA PRO A 54 12.897 5.123 -4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.108 4.471 -6.587 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.799 4.425 -6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.829 2.155 -6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.498 2.212 -6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.786 1.011 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.339 1.802 -4.705 1.00 0.00 H new ATOM 751 N PRO A 55 10.552 5.745 -4.066 1.00 0.00 N ATOM 752 CA PRO A 55 9.146 6.138 -3.925 1.00 0.00 C ATOM 753 C PRO A 55 8.393 6.083 -5.250 1.00 0.00 C ATOM 754 O PRO A 55 8.631 6.895 -6.144 1.00 0.00 O ATOM 755 CB PRO A 55 9.230 7.579 -3.417 1.00 0.00 C ATOM 756 CG PRO A 55 10.549 8.075 -3.899 1.00 0.00 C ATOM 757 CD PRO A 55 11.468 6.885 -3.890 1.00 0.00 C ATOM 0 HA PRO A 55 8.600 5.468 -3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.413 8.185 -3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.165 7.620 -2.330 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.465 8.496 -4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.929 8.866 -3.252 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.202 6.938 -4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.024 6.813 -2.955 1.00 0.00 H new ATOM 765 N SER A 56 7.483 5.121 -5.369 1.00 0.00 N ATOM 766 CA SER A 56 6.697 4.959 -6.586 1.00 0.00 C ATOM 767 C SER A 56 5.234 4.680 -6.255 1.00 0.00 C ATOM 768 O SER A 56 4.910 4.006 -5.278 1.00 0.00 O ATOM 769 CB SER A 56 7.265 3.821 -7.436 1.00 0.00 C ATOM 770 OG SER A 56 7.063 4.067 -8.817 1.00 0.00 O ATOM 0 H SER A 56 7.272 4.442 -4.637 1.00 0.00 H new ATOM 0 HA SER A 56 6.752 5.889 -7.152 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.331 3.710 -7.235 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.788 2.881 -7.157 1.00 0.00 H new ATOM 0 HG SER A 56 7.436 3.326 -9.339 1.00 0.00 H new ATOM 776 N PRO A 57 4.328 5.213 -7.088 1.00 0.00 N ATOM 777 CA PRO A 57 2.885 5.036 -6.906 1.00 0.00 C ATOM 778 C PRO A 57 2.437 3.604 -7.178 1.00 0.00 C ATOM 779 O PRO A 57 1.257 3.276 -7.049 1.00 0.00 O ATOM 780 CB PRO A 57 2.277 5.991 -7.937 1.00 0.00 C ATOM 781 CG PRO A 57 3.324 6.130 -8.988 1.00 0.00 C ATOM 782 CD PRO A 57 4.644 6.029 -8.273 1.00 0.00 C ATOM 0 HA PRO A 57 2.576 5.240 -5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.352 5.590 -8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.035 6.955 -7.489 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.227 5.348 -9.741 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.233 7.085 -9.506 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.403 5.556 -8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.026 7.011 -7.994 1.00 0.00 H new ATOM 790 N VAL A 58 3.387 2.753 -7.554 1.00 0.00 N ATOM 791 CA VAL A 58 3.091 1.355 -7.843 1.00 0.00 C ATOM 792 C VAL A 58 4.193 0.441 -7.320 1.00 0.00 C ATOM 793 O VAL A 58 5.287 0.384 -7.883 1.00 0.00 O ATOM 794 CB VAL A 58 2.916 1.119 -9.355 1.00 0.00 C ATOM 795 CG1 VAL A 58 2.683 -0.357 -9.641 1.00 0.00 C ATOM 796 CG2 VAL A 58 1.773 1.963 -9.897 1.00 0.00 C ATOM 0 H VAL A 58 4.368 3.008 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 58 2.156 1.118 -7.336 1.00 0.00 H new ATOM 0 HB VAL A 58 3.832 1.422 -9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.562 -0.505 -10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.538 -0.935 -9.289 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.783 -0.690 -9.125 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.664 1.784 -10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.848 1.693 -9.387 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.987 3.018 -9.726 1.00 0.00 H new ATOM 806 N LEU A 59 3.898 -0.275 -6.241 1.00 0.00 N ATOM 807 CA LEU A 59 4.864 -1.189 -5.641 1.00 0.00 C ATOM 808 C LEU A 59 4.425 -2.639 -5.820 1.00 0.00 C ATOM 809 O LEU A 59 3.282 -2.992 -5.529 1.00 0.00 O ATOM 810 CB LEU A 59 5.036 -0.876 -4.154 1.00 0.00 C ATOM 811 CG LEU A 59 5.527 -2.030 -3.277 1.00 0.00 C ATOM 812 CD1 LEU A 59 6.964 -2.387 -3.621 1.00 0.00 C ATOM 813 CD2 LEU A 59 5.402 -1.670 -1.804 1.00 0.00 C ATOM 0 H LEU A 59 2.997 -0.241 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 59 5.820 -1.053 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.738 -0.048 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.079 -0.531 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 59 4.902 -2.901 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.296 -3.209 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.024 -2.688 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.604 -1.520 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.756 -2.502 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.003 -0.785 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.358 -1.465 -1.567 1.00 0.00 H new ATOM 825 N ILE A 60 5.342 -3.474 -6.297 1.00 0.00 N ATOM 826 CA ILE A 60 5.050 -4.886 -6.511 1.00 0.00 C ATOM 827 C ILE A 60 5.910 -5.768 -5.612 1.00 0.00 C ATOM 828 O ILE A 60 7.102 -5.513 -5.430 1.00 0.00 O ATOM 829 CB ILE A 60 5.279 -5.292 -7.979 1.00 0.00 C ATOM 830 CG1 ILE A 60 4.408 -4.444 -8.907 1.00 0.00 C ATOM 831 CG2 ILE A 60 4.982 -6.772 -8.172 1.00 0.00 C ATOM 832 CD1 ILE A 60 5.031 -4.198 -10.263 1.00 0.00 C ATOM 0 H ILE A 60 6.293 -3.197 -6.542 1.00 0.00 H new ATOM 0 HA ILE A 60 3.999 -5.032 -6.261 1.00 0.00 H new ATOM 0 HB ILE A 60 6.325 -5.115 -8.230 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.446 -4.939 -9.042 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.208 -3.485 -8.429 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.148 -7.044 -9.214 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.640 -7.361 -7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.944 -6.973 -7.906 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.358 -3.590 -10.868 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.979 -3.675 -10.138 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.206 -5.151 -10.762 1.00 0.00 H new ATOM 844 N LEU A 61 5.300 -6.806 -5.052 1.00 0.00 N ATOM 845 CA LEU A 61 6.010 -7.728 -4.172 1.00 0.00 C ATOM 846 C LEU A 61 5.901 -9.161 -4.683 1.00 0.00 C ATOM 847 O LEU A 61 5.150 -9.980 -4.152 1.00 0.00 O ATOM 848 CB LEU A 61 5.453 -7.638 -2.750 1.00 0.00 C ATOM 849 CG LEU A 61 6.438 -7.950 -1.623 1.00 0.00 C ATOM 850 CD1 LEU A 61 7.627 -7.003 -1.676 1.00 0.00 C ATOM 851 CD2 LEU A 61 5.745 -7.864 -0.271 1.00 0.00 C ATOM 0 H LEU A 61 4.315 -7.031 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 61 7.062 -7.444 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.063 -6.632 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.609 -8.323 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 61 6.804 -8.968 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.317 -7.240 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.138 -7.114 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.279 -5.976 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.461 -8.089 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.350 -6.858 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.927 -8.583 -0.235 1.00 0.00 H new ATOM 863 N PRO A 62 6.669 -9.474 -5.737 1.00 0.00 N ATOM 864 CA PRO A 62 6.678 -10.810 -6.341 1.00 0.00 C ATOM 865 C PRO A 62 7.327 -11.851 -5.435 1.00 0.00 C ATOM 866 O PRO A 62 8.293 -11.558 -4.732 1.00 0.00 O ATOM 867 CB PRO A 62 7.506 -10.618 -7.614 1.00 0.00 C ATOM 868 CG PRO A 62 8.384 -9.450 -7.322 1.00 0.00 C ATOM 869 CD PRO A 62 7.587 -8.548 -6.421 1.00 0.00 C ATOM 0 HA PRO A 62 5.670 -11.182 -6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.093 -11.507 -7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.868 -10.428 -8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.308 -9.767 -6.838 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.666 -8.934 -8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.226 -8.020 -5.713 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.045 -7.791 -6.988 1.00 0.00 H new ATOM 877 N GLU A 63 6.790 -13.067 -5.459 1.00 0.00 N ATOM 878 CA GLU A 63 7.318 -14.150 -4.639 1.00 0.00 C ATOM 879 C GLU A 63 7.167 -13.832 -3.154 1.00 0.00 C ATOM 880 O GLU A 63 8.142 -13.853 -2.402 1.00 0.00 O ATOM 881 CB GLU A 63 8.791 -14.400 -4.971 1.00 0.00 C ATOM 882 CG GLU A 63 9.001 -15.418 -6.078 1.00 0.00 C ATOM 883 CD GLU A 63 10.446 -15.864 -6.194 1.00 0.00 C ATOM 884 OE1 GLU A 63 11.215 -15.199 -6.919 1.00 0.00 O ATOM 885 OE2 GLU A 63 10.807 -16.878 -5.561 1.00 0.00 O ATOM 0 H GLU A 63 5.990 -13.326 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 63 6.745 -15.051 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.254 -13.457 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.304 -14.742 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.370 -16.287 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.680 -14.989 -7.027 1.00 0.00 H new ATOM 892 N ILE A 64 5.939 -13.539 -2.740 1.00 0.00 N ATOM 893 CA ILE A 64 5.660 -13.217 -1.346 1.00 0.00 C ATOM 894 C ILE A 64 5.755 -14.458 -0.466 1.00 0.00 C ATOM 895 O ILE A 64 5.451 -15.567 -0.903 1.00 0.00 O ATOM 896 CB ILE A 64 4.262 -12.592 -1.182 1.00 0.00 C ATOM 897 CG1 ILE A 64 4.333 -11.074 -1.367 1.00 0.00 C ATOM 898 CG2 ILE A 64 3.684 -12.937 0.182 1.00 0.00 C ATOM 899 CD1 ILE A 64 3.005 -10.447 -1.731 1.00 0.00 C ATOM 0 H ILE A 64 5.122 -13.518 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 64 6.412 -12.493 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 64 3.605 -13.003 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.699 -10.621 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.060 -10.845 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.696 -12.488 0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.602 -14.020 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.339 -12.551 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.130 -9.370 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.646 -10.873 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.280 -10.645 -0.941 1.00 0.00 H new ATOM 911 N GLY A 65 6.180 -14.263 0.779 1.00 0.00 N ATOM 912 CA GLY A 65 6.306 -15.375 1.703 1.00 0.00 C ATOM 913 C GLY A 65 5.834 -15.025 3.100 1.00 0.00 C ATOM 914 O GLY A 65 5.101 -14.058 3.307 1.00 0.00 O ATOM 0 H GLY A 65 6.439 -13.355 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.729 -16.221 1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.348 -15.693 1.744 1.00 0.00 H new ATOM 918 N PRO A 66 6.257 -15.826 4.090 1.00 0.00 N ATOM 919 CA PRO A 66 5.884 -15.617 5.492 1.00 0.00 C ATOM 920 C PRO A 66 6.537 -14.374 6.086 1.00 0.00 C ATOM 921 O PRO A 66 5.957 -13.706 6.941 1.00 0.00 O ATOM 922 CB PRO A 66 6.400 -16.878 6.189 1.00 0.00 C ATOM 923 CG PRO A 66 7.515 -17.358 5.325 1.00 0.00 C ATOM 924 CD PRO A 66 7.132 -16.998 3.916 1.00 0.00 C ATOM 0 HA PRO A 66 4.812 -15.458 5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.748 -16.658 7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.616 -17.630 6.278 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.457 -16.887 5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.654 -18.434 5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.006 -16.760 3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.613 -17.817 3.419 1.00 0.00 H new ATOM 932 N GLN A 67 7.747 -14.070 5.627 1.00 0.00 N ATOM 933 CA GLN A 67 8.479 -12.907 6.114 1.00 0.00 C ATOM 934 C GLN A 67 7.872 -11.616 5.573 1.00 0.00 C ATOM 935 O GLN A 67 7.880 -10.585 6.247 1.00 0.00 O ATOM 936 CB GLN A 67 9.952 -13.000 5.713 1.00 0.00 C ATOM 937 CG GLN A 67 10.171 -13.043 4.209 1.00 0.00 C ATOM 938 CD GLN A 67 11.592 -12.693 3.816 1.00 0.00 C ATOM 939 OE1 GLN A 67 12.038 -11.560 4.001 1.00 0.00 O ATOM 940 NE2 GLN A 67 12.313 -13.665 3.270 1.00 0.00 N ATOM 0 H GLN A 67 8.241 -14.613 4.919 1.00 0.00 H new ATOM 0 HA GLN A 67 8.407 -12.893 7.202 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.487 -12.145 6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.386 -13.894 6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.931 -14.040 3.839 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.483 -12.349 3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.904 -14.589 3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.276 -13.487 2.986 1.00 0.00 H new ATOM 949 N ASP A 68 7.348 -11.680 4.355 1.00 0.00 N ATOM 950 CA ASP A 68 6.736 -10.517 3.723 1.00 0.00 C ATOM 951 C ASP A 68 5.551 -10.014 4.542 1.00 0.00 C ATOM 952 O ASP A 68 5.304 -8.811 4.619 1.00 0.00 O ATOM 953 CB ASP A 68 6.282 -10.860 2.304 1.00 0.00 C ATOM 954 CG ASP A 68 7.437 -11.264 1.408 1.00 0.00 C ATOM 955 OD1 ASP A 68 8.287 -12.060 1.858 1.00 0.00 O ATOM 956 OD2 ASP A 68 7.490 -10.783 0.257 1.00 0.00 O ATOM 0 H ASP A 68 7.334 -12.525 3.785 1.00 0.00 H new ATOM 0 HA ASP A 68 7.484 -9.725 3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.556 -11.672 2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.773 -9.999 1.870 1.00 0.00 H new ATOM 961 N GLN A 69 4.823 -10.944 5.151 1.00 0.00 N ATOM 962 CA GLN A 69 3.663 -10.595 5.963 1.00 0.00 C ATOM 963 C GLN A 69 3.976 -9.421 6.884 1.00 0.00 C ATOM 964 O GLN A 69 4.947 -9.454 7.640 1.00 0.00 O ATOM 965 CB GLN A 69 3.210 -11.800 6.789 1.00 0.00 C ATOM 966 CG GLN A 69 2.459 -12.845 5.980 1.00 0.00 C ATOM 967 CD GLN A 69 1.971 -14.001 6.829 1.00 0.00 C ATOM 968 OE1 GLN A 69 0.768 -14.238 6.945 1.00 0.00 O ATOM 969 NE2 GLN A 69 2.905 -14.730 7.430 1.00 0.00 N ATOM 0 H GLN A 69 5.015 -11.944 5.098 1.00 0.00 H new ATOM 0 HA GLN A 69 2.857 -10.301 5.291 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.083 -12.265 7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.571 -11.454 7.601 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.607 -12.375 5.489 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.110 -13.227 5.193 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.891 -14.498 7.307 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.636 -15.521 8.015 1.00 0.00 H new ATOM 978 N GLY A 70 3.148 -8.383 6.815 1.00 0.00 N ATOM 979 CA GLY A 70 3.355 -7.212 7.648 1.00 0.00 C ATOM 980 C GLY A 70 2.400 -6.085 7.311 1.00 0.00 C ATOM 981 O GLY A 70 1.379 -6.299 6.657 1.00 0.00 O ATOM 0 H GLY A 70 2.338 -8.332 6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.231 -7.488 8.695 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.381 -6.863 7.530 1.00 0.00 H new ATOM 985 N THR A 71 2.730 -4.877 7.760 1.00 0.00 N ATOM 986 CA THR A 71 1.893 -3.712 7.504 1.00 0.00 C ATOM 987 C THR A 71 2.457 -2.868 6.367 1.00 0.00 C ATOM 988 O THR A 71 3.651 -2.570 6.335 1.00 0.00 O ATOM 989 CB THR A 71 1.756 -2.833 8.761 1.00 0.00 C ATOM 990 OG1 THR A 71 2.998 -2.797 9.472 1.00 0.00 O ATOM 991 CG2 THR A 71 0.658 -3.360 9.674 1.00 0.00 C ATOM 0 H THR A 71 3.571 -4.681 8.303 1.00 0.00 H new ATOM 0 HA THR A 71 0.909 -4.086 7.221 1.00 0.00 H new ATOM 0 HB THR A 71 1.490 -1.825 8.444 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.905 -3.284 10.318 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.580 -2.723 10.555 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.292 -3.358 9.139 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.898 -4.377 9.982 1.00 0.00 H new ATOM 999 N TYR A 72 1.591 -2.486 5.435 1.00 0.00 N ATOM 1000 CA TYR A 72 2.004 -1.677 4.294 1.00 0.00 C ATOM 1001 C TYR A 72 1.106 -0.453 4.140 1.00 0.00 C ATOM 1002 O TYR A 72 -0.101 -0.577 3.933 1.00 0.00 O ATOM 1003 CB TYR A 72 1.972 -2.512 3.012 1.00 0.00 C ATOM 1004 CG TYR A 72 3.180 -3.403 2.840 1.00 0.00 C ATOM 1005 CD1 TYR A 72 3.202 -4.688 3.368 1.00 0.00 C ATOM 1006 CD2 TYR A 72 4.301 -2.961 2.146 1.00 0.00 C ATOM 1007 CE1 TYR A 72 4.305 -5.506 3.213 1.00 0.00 C ATOM 1008 CE2 TYR A 72 5.407 -3.773 1.985 1.00 0.00 C ATOM 1009 CZ TYR A 72 5.404 -5.044 2.521 1.00 0.00 C ATOM 1010 OH TYR A 72 6.504 -5.856 2.363 1.00 0.00 O ATOM 0 H TYR A 72 0.599 -2.723 5.447 1.00 0.00 H new ATOM 0 HA TYR A 72 3.024 -1.336 4.473 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.073 -3.129 3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.899 -1.843 2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.342 -5.054 3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.307 -1.966 1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.306 -6.502 3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.269 -3.415 1.442 1.00 0.00 H new ATOM 0 HH TYR A 72 7.191 -5.380 1.851 1.00 0.00 H new ATOM 1020 N SER A 73 1.706 0.729 4.242 1.00 0.00 N ATOM 1021 CA SER A 73 0.962 1.976 4.118 1.00 0.00 C ATOM 1022 C SER A 73 1.650 2.925 3.141 1.00 0.00 C ATOM 1023 O SER A 73 2.869 3.096 3.178 1.00 0.00 O ATOM 1024 CB SER A 73 0.820 2.649 5.485 1.00 0.00 C ATOM 1025 OG SER A 73 0.319 3.968 5.355 1.00 0.00 O ATOM 0 H SER A 73 2.705 0.849 4.410 1.00 0.00 H new ATOM 0 HA SER A 73 -0.030 1.741 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.150 2.063 6.114 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.788 2.672 5.985 1.00 0.00 H new ATOM 0 HG SER A 73 -0.625 3.986 5.616 1.00 0.00 H new ATOM 1031 N CYS A 74 0.860 3.539 2.266 1.00 0.00 N ATOM 1032 CA CYS A 74 1.391 4.469 1.278 1.00 0.00 C ATOM 1033 C CYS A 74 1.331 5.904 1.794 1.00 0.00 C ATOM 1034 O CYS A 74 0.256 6.422 2.096 1.00 0.00 O ATOM 1035 CB CYS A 74 0.611 4.354 -0.033 1.00 0.00 C ATOM 1036 SG CYS A 74 -1.096 4.984 0.060 1.00 0.00 S ATOM 0 H CYS A 74 -0.151 3.409 2.222 1.00 0.00 H new ATOM 0 HA CYS A 74 2.434 4.210 1.096 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.146 4.899 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.585 3.308 -0.337 1.00 0.00 H new ATOM 1041 N VAL A 75 2.493 6.542 1.892 1.00 0.00 N ATOM 1042 CA VAL A 75 2.573 7.917 2.370 1.00 0.00 C ATOM 1043 C VAL A 75 2.841 8.883 1.221 1.00 0.00 C ATOM 1044 O VAL A 75 3.954 8.949 0.700 1.00 0.00 O ATOM 1045 CB VAL A 75 3.678 8.078 3.431 1.00 0.00 C ATOM 1046 CG1 VAL A 75 3.704 9.504 3.961 1.00 0.00 C ATOM 1047 CG2 VAL A 75 3.478 7.083 4.564 1.00 0.00 C ATOM 0 H VAL A 75 3.392 6.128 1.647 1.00 0.00 H new ATOM 0 HA VAL A 75 1.609 8.153 2.821 1.00 0.00 H new ATOM 0 HB VAL A 75 4.641 7.871 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.491 9.600 4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.899 10.194 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.741 9.741 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.268 7.211 5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.509 7.256 5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.513 6.068 4.168 1.00 0.00 H new ATOM 1057 N ALA A 76 1.814 9.631 0.833 1.00 0.00 N ATOM 1058 CA ALA A 76 1.939 10.596 -0.252 1.00 0.00 C ATOM 1059 C ALA A 76 2.332 11.971 0.278 1.00 0.00 C ATOM 1060 O ALA A 76 1.640 12.545 1.119 1.00 0.00 O ATOM 1061 CB ALA A 76 0.637 10.683 -1.035 1.00 0.00 C ATOM 0 H ALA A 76 0.886 9.587 1.254 1.00 0.00 H new ATOM 0 HA ALA A 76 2.729 10.253 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.745 11.408 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.399 9.706 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.167 10.998 -0.370 1.00 0.00 H new ATOM 1067 N THR A 77 3.449 12.495 -0.218 1.00 0.00 N ATOM 1068 CA THR A 77 3.935 13.801 0.207 1.00 0.00 C ATOM 1069 C THR A 77 4.103 14.739 -0.982 1.00 0.00 C ATOM 1070 O THR A 77 5.027 14.585 -1.782 1.00 0.00 O ATOM 1071 CB THR A 77 5.280 13.686 0.949 1.00 0.00 C ATOM 1072 OG1 THR A 77 5.176 12.724 2.005 1.00 0.00 O ATOM 1073 CG2 THR A 77 5.699 15.031 1.522 1.00 0.00 C ATOM 0 H THR A 77 4.034 12.034 -0.915 1.00 0.00 H new ATOM 0 HA THR A 77 3.187 14.210 0.886 1.00 0.00 H new ATOM 0 HB THR A 77 6.037 13.361 0.235 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.035 12.655 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.651 14.924 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.806 15.754 0.713 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.941 15.380 2.223 1.00 0.00 H new ATOM 1081 N HIS A 78 3.205 15.713 -1.094 1.00 0.00 N ATOM 1082 CA HIS A 78 3.255 16.678 -2.186 1.00 0.00 C ATOM 1083 C HIS A 78 2.614 18.000 -1.774 1.00 0.00 C ATOM 1084 O HIS A 78 2.078 18.124 -0.673 1.00 0.00 O ATOM 1085 CB HIS A 78 2.549 16.119 -3.422 1.00 0.00 C ATOM 1086 CG HIS A 78 1.160 15.632 -3.148 1.00 0.00 C ATOM 1087 ND1 HIS A 78 -0.040 16.088 -3.578 1.00 0.00 N flip ATOM 1088 CD2 HIS A 78 0.888 14.548 -2.340 1.00 0.00 C flip ATOM 1089 CE1 HIS A 78 -1.004 15.279 -3.029 1.00 0.00 C flip ATOM 1090 NE2 HIS A 78 -0.419 14.358 -2.287 1.00 0.00 N flip ATOM 0 H HIS A 78 2.434 15.855 -0.441 1.00 0.00 H new ATOM 0 HA HIS A 78 4.302 16.862 -2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.509 16.893 -4.189 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.140 15.298 -3.828 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.627 13.948 -1.830 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.069 15.380 -3.180 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -0.895 13.624 -1.762 1.00 0.00 H new ATOM 1099 N SER A 79 2.674 18.985 -2.664 1.00 0.00 N ATOM 1100 CA SER A 79 2.104 20.298 -2.391 1.00 0.00 C ATOM 1101 C SER A 79 0.653 20.176 -1.935 1.00 0.00 C ATOM 1102 O SER A 79 0.344 20.353 -0.757 1.00 0.00 O ATOM 1103 CB SER A 79 2.186 21.183 -3.636 1.00 0.00 C ATOM 1104 OG SER A 79 1.688 22.483 -3.372 1.00 0.00 O ATOM 0 H SER A 79 3.112 18.898 -3.581 1.00 0.00 H new ATOM 0 HA SER A 79 2.682 20.757 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.221 21.248 -3.972 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.616 20.729 -4.447 1.00 0.00 H new ATOM 0 HG SER A 79 1.753 23.029 -4.183 1.00 0.00 H new ATOM 1110 N SER A 80 -0.234 19.874 -2.878 1.00 0.00 N ATOM 1111 CA SER A 80 -1.653 19.731 -2.575 1.00 0.00 C ATOM 1112 C SER A 80 -1.855 19.119 -1.193 1.00 0.00 C ATOM 1113 O SER A 80 -2.500 19.711 -0.327 1.00 0.00 O ATOM 1114 CB SER A 80 -2.338 18.865 -3.635 1.00 0.00 C ATOM 1115 OG SER A 80 -2.222 19.447 -4.922 1.00 0.00 O ATOM 0 H SER A 80 0.005 19.724 -3.858 1.00 0.00 H new ATOM 0 HA SER A 80 -2.102 20.724 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.892 17.871 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.391 18.740 -3.382 1.00 0.00 H new ATOM 0 HG SER A 80 -2.666 18.874 -5.581 1.00 0.00 H new ATOM 1121 N HIS A 81 -1.298 17.928 -0.993 1.00 0.00 N ATOM 1122 CA HIS A 81 -1.416 17.234 0.284 1.00 0.00 C ATOM 1123 C HIS A 81 -0.039 16.911 0.856 1.00 0.00 C ATOM 1124 O HIS A 81 0.785 16.280 0.196 1.00 0.00 O ATOM 1125 CB HIS A 81 -2.227 15.948 0.117 1.00 0.00 C ATOM 1126 CG HIS A 81 -3.575 16.166 -0.498 1.00 0.00 C ATOM 1127 ND1 HIS A 81 -4.437 17.161 -0.090 1.00 0.00 N ATOM 1128 CD2 HIS A 81 -4.207 15.510 -1.500 1.00 0.00 C ATOM 1129 CE1 HIS A 81 -5.542 17.107 -0.812 1.00 0.00 C ATOM 1130 NE2 HIS A 81 -5.427 16.114 -1.675 1.00 0.00 N ATOM 0 H HIS A 81 -0.761 17.424 -1.699 1.00 0.00 H new ATOM 0 HA HIS A 81 -1.934 17.893 0.981 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.663 15.250 -0.502 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.353 15.479 1.093 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.823 14.669 -2.057 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.394 17.763 -0.713 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -6.131 15.840 -2.361 1.00 0.00 H new ATOM 1139 N GLY A 82 0.203 17.349 2.088 1.00 0.00 N ATOM 1140 CA GLY A 82 1.481 17.097 2.727 1.00 0.00 C ATOM 1141 C GLY A 82 1.697 15.628 3.034 1.00 0.00 C ATOM 1142 O GLY A 82 1.256 14.747 2.296 1.00 0.00 O ATOM 0 H GLY A 82 -0.463 17.874 2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.283 17.451 2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.541 17.671 3.652 1.00 0.00 H new ATOM 1146 N PRO A 83 2.391 15.348 4.147 1.00 0.00 N ATOM 1147 CA PRO A 83 2.681 13.976 4.574 1.00 0.00 C ATOM 1148 C PRO A 83 1.433 13.241 5.051 1.00 0.00 C ATOM 1149 O PRO A 83 1.113 13.250 6.239 1.00 0.00 O ATOM 1150 CB PRO A 83 3.665 14.166 5.732 1.00 0.00 C ATOM 1151 CG PRO A 83 3.370 15.528 6.260 1.00 0.00 C ATOM 1152 CD PRO A 83 2.946 16.349 5.073 1.00 0.00 C ATOM 0 HA PRO A 83 3.073 13.369 3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.525 13.405 6.500 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.697 14.089 5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.582 15.493 7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.249 15.960 6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.203 17.098 5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.788 16.882 4.631 1.00 0.00 H new ATOM 1160 N GLN A 84 0.733 12.606 4.116 1.00 0.00 N ATOM 1161 CA GLN A 84 -0.481 11.867 4.442 1.00 0.00 C ATOM 1162 C GLN A 84 -0.229 10.363 4.400 1.00 0.00 C ATOM 1163 O GLN A 84 0.344 9.847 3.442 1.00 0.00 O ATOM 1164 CB GLN A 84 -1.604 12.236 3.472 1.00 0.00 C ATOM 1165 CG GLN A 84 -2.994 11.939 4.010 1.00 0.00 C ATOM 1166 CD GLN A 84 -3.383 12.849 5.158 1.00 0.00 C ATOM 1167 OE1 GLN A 84 -2.971 12.638 6.299 1.00 0.00 O ATOM 1168 NE2 GLN A 84 -4.179 13.870 4.862 1.00 0.00 N ATOM 0 H GLN A 84 0.985 12.589 3.128 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.782 12.139 5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.534 13.298 3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.461 11.691 2.539 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.721 12.045 3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.036 10.902 4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.497 14.007 3.903 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.472 14.517 5.594 1.00 0.00 H new ATOM 1177 N GLU A 85 -0.662 9.666 5.447 1.00 0.00 N ATOM 1178 CA GLU A 85 -0.482 8.222 5.529 1.00 0.00 C ATOM 1179 C GLU A 85 -1.821 7.499 5.406 1.00 0.00 C ATOM 1180 O GLU A 85 -2.774 7.810 6.119 1.00 0.00 O ATOM 1181 CB GLU A 85 0.195 7.843 6.848 1.00 0.00 C ATOM 1182 CG GLU A 85 0.718 6.417 6.876 1.00 0.00 C ATOM 1183 CD GLU A 85 1.394 6.070 8.188 1.00 0.00 C ATOM 1184 OE1 GLU A 85 2.539 6.520 8.404 1.00 0.00 O ATOM 1185 OE2 GLU A 85 0.778 5.348 9.000 1.00 0.00 O ATOM 0 H GLU A 85 -1.139 10.078 6.249 1.00 0.00 H new ATOM 0 HA GLU A 85 0.156 7.914 4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.023 8.528 7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.516 7.976 7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.108 5.727 6.704 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.426 6.277 6.059 1.00 0.00 H new ATOM 1192 N SER A 86 -1.884 6.533 4.495 1.00 0.00 N ATOM 1193 CA SER A 86 -3.106 5.768 4.274 1.00 0.00 C ATOM 1194 C SER A 86 -3.254 4.667 5.320 1.00 0.00 C ATOM 1195 O SER A 86 -2.300 4.330 6.021 1.00 0.00 O ATOM 1196 CB SER A 86 -3.105 5.159 2.871 1.00 0.00 C ATOM 1197 OG SER A 86 -4.424 5.025 2.372 1.00 0.00 O ATOM 0 H SER A 86 -1.103 6.261 3.898 1.00 0.00 H new ATOM 0 HA SER A 86 -3.953 6.448 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.521 5.787 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.621 4.183 2.895 1.00 0.00 H new ATOM 0 HG SER A 86 -4.392 4.788 1.422 1.00 0.00 H new ATOM 1203 N ARG A 87 -4.456 4.110 5.417 1.00 0.00 N ATOM 1204 CA ARG A 87 -4.731 3.048 6.377 1.00 0.00 C ATOM 1205 C ARG A 87 -3.671 1.953 6.295 1.00 0.00 C ATOM 1206 O ARG A 87 -3.118 1.691 5.228 1.00 0.00 O ATOM 1207 CB ARG A 87 -6.117 2.451 6.127 1.00 0.00 C ATOM 1208 CG ARG A 87 -7.258 3.362 6.547 1.00 0.00 C ATOM 1209 CD ARG A 87 -8.605 2.673 6.400 1.00 0.00 C ATOM 1210 NE ARG A 87 -9.710 3.535 6.811 1.00 0.00 N ATOM 1211 CZ ARG A 87 -10.950 3.100 7.001 1.00 0.00 C ATOM 1212 NH1 ARG A 87 -11.243 1.820 6.818 1.00 0.00 N ATOM 1213 NH2 ARG A 87 -11.901 3.947 7.375 1.00 0.00 N ATOM 0 H ARG A 87 -5.256 4.376 4.842 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.705 3.481 7.377 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.218 2.222 5.066 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.199 1.507 6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.117 3.669 7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.244 4.268 5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.747 2.373 5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.614 1.763 6.999 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.519 4.526 6.960 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.515 1.166 6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.197 1.489 6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.679 4.933 7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.853 3.612 7.521 1.00 0.00 H new ATOM 1227 N ALA A 88 -3.393 1.319 7.429 1.00 0.00 N ATOM 1228 CA ALA A 88 -2.401 0.253 7.485 1.00 0.00 C ATOM 1229 C ALA A 88 -3.010 -1.085 7.076 1.00 0.00 C ATOM 1230 O ALA A 88 -3.921 -1.590 7.732 1.00 0.00 O ATOM 1231 CB ALA A 88 -1.805 0.159 8.882 1.00 0.00 C ATOM 0 H ALA A 88 -3.841 1.525 8.322 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.606 0.492 6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.066 -0.641 8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.326 1.104 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.596 -0.053 9.601 1.00 0.00 H new ATOM 1237 N VAL A 89 -2.501 -1.654 5.988 1.00 0.00 N ATOM 1238 CA VAL A 89 -2.994 -2.933 5.492 1.00 0.00 C ATOM 1239 C VAL A 89 -2.077 -4.076 5.913 1.00 0.00 C ATOM 1240 O VAL A 89 -0.873 -4.046 5.658 1.00 0.00 O ATOM 1241 CB VAL A 89 -3.119 -2.929 3.957 1.00 0.00 C ATOM 1242 CG1 VAL A 89 -1.743 -2.908 3.309 1.00 0.00 C ATOM 1243 CG2 VAL A 89 -3.922 -4.132 3.485 1.00 0.00 C ATOM 0 H VAL A 89 -1.747 -1.249 5.433 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.981 -3.083 5.929 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.650 -2.026 3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.852 -2.905 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.207 -2.012 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.183 -3.791 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.000 -4.113 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.421 -5.049 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.920 -4.097 3.921 1.00 0.00 H new ATOM 1253 N SER A 90 -2.655 -5.083 6.560 1.00 0.00 N ATOM 1254 CA SER A 90 -1.889 -6.236 7.020 1.00 0.00 C ATOM 1255 C SER A 90 -1.939 -7.365 5.996 1.00 0.00 C ATOM 1256 O SER A 90 -2.954 -8.048 5.858 1.00 0.00 O ATOM 1257 CB SER A 90 -2.427 -6.728 8.365 1.00 0.00 C ATOM 1258 OG SER A 90 -3.776 -7.144 8.253 1.00 0.00 O ATOM 0 H SER A 90 -3.651 -5.124 6.778 1.00 0.00 H new ATOM 0 HA SER A 90 -0.851 -5.926 7.143 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.816 -7.557 8.723 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.349 -5.931 9.105 1.00 0.00 H new ATOM 0 HG SER A 90 -3.893 -7.654 7.425 1.00 0.00 H new ATOM 1264 N ILE A 91 -0.836 -7.555 5.280 1.00 0.00 N ATOM 1265 CA ILE A 91 -0.752 -8.602 4.269 1.00 0.00 C ATOM 1266 C ILE A 91 -0.484 -9.961 4.905 1.00 0.00 C ATOM 1267 O ILE A 91 0.582 -10.191 5.476 1.00 0.00 O ATOM 1268 CB ILE A 91 0.353 -8.303 3.239 1.00 0.00 C ATOM 1269 CG1 ILE A 91 0.093 -6.959 2.555 1.00 0.00 C ATOM 1270 CG2 ILE A 91 0.434 -9.420 2.209 1.00 0.00 C ATOM 1271 CD1 ILE A 91 -1.081 -6.983 1.602 1.00 0.00 C ATOM 0 H ILE A 91 0.012 -6.997 5.381 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.715 -8.626 3.760 1.00 0.00 H new ATOM 0 HB ILE A 91 1.309 -8.246 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.084 -6.201 3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.988 -6.659 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.220 -9.194 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.661 -10.361 2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.521 -9.506 1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.206 -5.997 1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.898 -7.717 0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.986 -7.252 2.147 1.00 0.00 H new ATOM 1283 N SER A 92 -1.459 -10.859 4.802 1.00 0.00 N ATOM 1284 CA SER A 92 -1.329 -12.196 5.369 1.00 0.00 C ATOM 1285 C SER A 92 -1.395 -13.259 4.276 1.00 0.00 C ATOM 1286 O SER A 92 -1.849 -12.992 3.163 1.00 0.00 O ATOM 1287 CB SER A 92 -2.429 -12.443 6.403 1.00 0.00 C ATOM 1288 OG SER A 92 -2.301 -11.560 7.504 1.00 0.00 O ATOM 0 H SER A 92 -2.347 -10.685 4.331 1.00 0.00 H new ATOM 0 HA SER A 92 -0.357 -12.263 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.406 -12.310 5.938 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.379 -13.474 6.752 1.00 0.00 H new ATOM 0 HG SER A 92 -3.017 -11.737 8.150 1.00 0.00 H new ATOM 1294 N ILE A 93 -0.939 -14.463 4.603 1.00 0.00 N ATOM 1295 CA ILE A 93 -0.947 -15.567 3.650 1.00 0.00 C ATOM 1296 C ILE A 93 -2.213 -16.406 3.792 1.00 0.00 C ATOM 1297 O ILE A 93 -2.609 -16.767 4.900 1.00 0.00 O ATOM 1298 CB ILE A 93 0.282 -16.477 3.833 1.00 0.00 C ATOM 1299 CG1 ILE A 93 1.571 -15.668 3.671 1.00 0.00 C ATOM 1300 CG2 ILE A 93 0.243 -17.626 2.836 1.00 0.00 C ATOM 1301 CD1 ILE A 93 2.803 -16.388 4.174 1.00 0.00 C ATOM 0 H ILE A 93 -0.559 -14.699 5.520 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.917 -15.125 2.654 1.00 0.00 H new ATOM 0 HB ILE A 93 0.261 -16.894 4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.707 -15.424 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.468 -14.724 4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.118 -18.260 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.661 -18.214 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.244 -17.228 1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.679 -15.756 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.688 -16.608 5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.931 -17.319 3.622 1.00 0.00 H new ATOM 1313 N ILE A 94 -2.841 -16.714 2.662 1.00 0.00 N ATOM 1314 CA ILE A 94 -4.060 -17.513 2.660 1.00 0.00 C ATOM 1315 C ILE A 94 -3.739 -19.004 2.658 1.00 0.00 C ATOM 1316 O ILE A 94 -2.839 -19.454 1.950 1.00 0.00 O ATOM 1317 CB ILE A 94 -4.945 -17.188 1.442 1.00 0.00 C ATOM 1318 CG1 ILE A 94 -5.188 -15.680 1.350 1.00 0.00 C ATOM 1319 CG2 ILE A 94 -6.265 -17.939 1.531 1.00 0.00 C ATOM 1320 CD1 ILE A 94 -5.755 -15.240 0.018 1.00 0.00 C ATOM 0 H ILE A 94 -2.526 -16.422 1.737 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.604 -17.261 3.571 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.427 -17.510 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.873 -15.381 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.248 -15.157 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.879 -17.699 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.073 -19.012 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.790 -17.645 2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.902 -14.160 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.061 -15.508 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.711 -15.735 -0.152 1.00 0.00 H new ATOM 1332 N GLU A 95 -4.484 -19.765 3.454 1.00 0.00 N ATOM 1333 CA GLU A 95 -4.280 -21.206 3.542 1.00 0.00 C ATOM 1334 C GLU A 95 -4.689 -21.895 2.243 1.00 0.00 C ATOM 1335 O GLU A 95 -5.832 -21.801 1.795 1.00 0.00 O ATOM 1336 CB GLU A 95 -5.076 -21.786 4.712 1.00 0.00 C ATOM 1337 CG GLU A 95 -4.627 -21.272 6.069 1.00 0.00 C ATOM 1338 CD GLU A 95 -5.060 -22.174 7.208 1.00 0.00 C ATOM 1339 OE1 GLU A 95 -5.306 -23.372 6.956 1.00 0.00 O ATOM 1340 OE2 GLU A 95 -5.152 -21.682 8.352 1.00 0.00 O ATOM 0 H GLU A 95 -5.233 -19.408 4.047 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.218 -21.386 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.131 -21.550 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.988 -22.872 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.541 -21.179 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.033 -20.273 6.227 1.00 0.00 H new ATOM 1347 N PRO A 96 -3.734 -22.603 1.623 1.00 0.00 N ATOM 1348 CA PRO A 96 -3.970 -23.322 0.367 1.00 0.00 C ATOM 1349 C PRO A 96 -4.883 -24.529 0.553 1.00 0.00 C ATOM 1350 O PRO A 96 -5.742 -24.540 1.434 1.00 0.00 O ATOM 1351 CB PRO A 96 -2.569 -23.770 -0.054 1.00 0.00 C ATOM 1352 CG PRO A 96 -1.796 -23.842 1.217 1.00 0.00 C ATOM 1353 CD PRO A 96 -2.350 -22.759 2.100 1.00 0.00 C ATOM 0 HA PRO A 96 -4.472 -22.698 -0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.597 -24.737 -0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.120 -23.062 -0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.904 -24.821 1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.732 -23.691 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.317 -23.043 3.152 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.785 -21.832 2.002 1.00 0.00 H new TER 1361 PRO A 96