USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 611 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 43 THR OG1 : rot -130:sc= 0 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.94 (180deg=0.647) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.05) USER MOD Single : A 13 SER OG : rot 180:sc= 0.00141 USER MOD Single : A 22 ASN : amide:sc= -0.0123 K(o=-0.012,f=-1.5) USER MOD Single : A 24 THR OG1 : rot -53:sc= 0.99 USER MOD Single : A 30 THR OG1 : rot 86:sc= 0.00119 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 42:sc= 0.00387 USER MOD Single : A 35 MET CE :methyl -172:sc= 0 (180deg=-0.0777) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -46:sc= 0.675 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -150:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.790 5.953 11.856 1.00 0.00 N ATOM 2 CA MET A 1 -5.136 5.432 12.207 1.00 0.00 C ATOM 3 C MET A 1 -5.880 5.004 10.942 1.00 0.00 C ATOM 4 O MET A 1 -5.701 3.866 10.469 1.00 0.00 O ATOM 5 CB MET A 1 -5.954 6.385 13.109 1.00 0.00 C ATOM 6 CG MET A 1 -5.422 6.459 14.547 1.00 0.00 C ATOM 7 SD MET A 1 -3.829 7.308 14.764 1.00 0.00 S ATOM 8 CE MET A 1 -2.982 6.124 15.848 1.00 0.00 C ATOM 0 H1 MET A 1 -3.424 6.526 12.643 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.145 5.157 11.678 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.858 6.542 11.001 1.00 0.00 H new ATOM 0 HA MET A 1 -4.995 4.546 12.826 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.946 7.384 12.673 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.992 6.054 13.129 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.167 6.963 15.163 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.325 5.443 14.930 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.983 6.494 16.080 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.549 6.006 16.771 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.904 5.161 15.344 1.00 0.00 H new ATOM 17 N LYS A 2 -6.727 5.857 10.341 1.00 0.00 N ATOM 18 CA LYS A 2 -7.391 5.563 9.057 1.00 0.00 C ATOM 19 C LYS A 2 -6.479 5.822 7.853 1.00 0.00 C ATOM 20 O LYS A 2 -5.749 6.815 7.823 1.00 0.00 O ATOM 21 CB LYS A 2 -8.705 6.350 8.910 1.00 0.00 C ATOM 22 CG LYS A 2 -9.747 5.962 9.971 1.00 0.00 C ATOM 23 CD LYS A 2 -11.107 6.595 9.647 1.00 0.00 C ATOM 24 CE LYS A 2 -12.128 6.262 10.741 1.00 0.00 C ATOM 25 NZ LYS A 2 -13.475 6.801 10.417 1.00 0.00 N ATOM 0 H LYS A 2 -6.971 6.768 10.730 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.623 4.498 9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.496 7.417 8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.120 6.175 7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.845 4.877 10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.412 6.290 10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.000 7.676 9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.465 6.230 8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.189 5.181 10.865 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.790 6.674 11.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.139 6.557 11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.422 7.835 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.808 6.389 9.522 1.00 0.00 H new ATOM 39 N ILE A 3 -6.594 4.962 6.844 1.00 0.00 N ATOM 40 CA ILE A 3 -6.001 5.083 5.502 1.00 0.00 C ATOM 41 C ILE A 3 -7.061 4.819 4.422 1.00 0.00 C ATOM 42 O ILE A 3 -8.098 4.209 4.698 1.00 0.00 O ATOM 43 CB ILE A 3 -4.795 4.130 5.325 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.186 2.643 5.511 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.634 4.547 6.240 1.00 0.00 C ATOM 46 CD1 ILE A 3 -4.174 1.658 4.919 1.00 0.00 C ATOM 0 H ILE A 3 -7.138 4.105 6.942 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.633 6.103 5.392 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.452 4.220 4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.299 2.437 6.575 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.158 2.472 5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.797 3.864 6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.321 5.561 5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.960 4.513 7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.517 0.638 5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.078 1.835 3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.205 1.799 5.398 1.00 0.00 H new ATOM 58 N LYS A 4 -6.786 5.239 3.181 1.00 0.00 N ATOM 59 CA LYS A 4 -7.627 4.988 1.997 1.00 0.00 C ATOM 60 C LYS A 4 -6.820 4.290 0.901 1.00 0.00 C ATOM 61 O LYS A 4 -6.145 4.941 0.104 1.00 0.00 O ATOM 62 CB LYS A 4 -8.299 6.293 1.524 1.00 0.00 C ATOM 63 CG LYS A 4 -9.198 6.860 2.637 1.00 0.00 C ATOM 64 CD LYS A 4 -10.174 7.964 2.210 1.00 0.00 C ATOM 65 CE LYS A 4 -11.222 7.466 1.204 1.00 0.00 C ATOM 66 NZ LYS A 4 -12.500 8.219 1.320 1.00 0.00 N ATOM 0 H LYS A 4 -5.948 5.779 2.963 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.434 4.306 2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.538 7.025 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.892 6.102 0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.773 6.040 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.560 7.252 3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.680 8.358 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.614 8.788 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.831 7.567 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.409 6.405 1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.127 7.963 0.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.962 7.981 2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.305 9.240 1.290 1.00 0.00 H new ATOM 80 N ILE A 5 -6.856 2.957 0.877 1.00 0.00 N ATOM 81 CA ILE A 5 -6.224 2.170 -0.193 1.00 0.00 C ATOM 82 C ILE A 5 -7.109 2.168 -1.449 1.00 0.00 C ATOM 83 O ILE A 5 -8.335 2.108 -1.355 1.00 0.00 O ATOM 84 CB ILE A 5 -5.817 0.759 0.293 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.888 0.086 -0.745 1.00 0.00 C ATOM 86 CG2 ILE A 5 -7.030 -0.134 0.605 1.00 0.00 C ATOM 87 CD1 ILE A 5 -4.102 -1.106 -0.186 1.00 0.00 C ATOM 0 H ILE A 5 -7.319 2.393 1.590 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.286 2.648 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.276 0.883 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.487 -0.250 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.185 0.827 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.685 -1.112 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.630 0.328 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.635 -0.252 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.473 -1.527 -0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.476 -0.773 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.798 -1.867 0.168 1.00 0.00 H new ATOM 99 N VAL A 6 -6.495 2.252 -2.629 1.00 0.00 N ATOM 100 CA VAL A 6 -7.166 2.389 -3.930 1.00 0.00 C ATOM 101 C VAL A 6 -6.597 1.352 -4.910 1.00 0.00 C ATOM 102 O VAL A 6 -5.695 1.666 -5.690 1.00 0.00 O ATOM 103 CB VAL A 6 -7.050 3.836 -4.474 1.00 0.00 C ATOM 104 CG1 VAL A 6 -8.025 4.038 -5.642 1.00 0.00 C ATOM 105 CG2 VAL A 6 -7.340 4.906 -3.413 1.00 0.00 C ATOM 0 H VAL A 6 -5.479 2.226 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.231 2.194 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.016 3.956 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.936 5.057 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.787 3.335 -6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.045 3.865 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.242 5.896 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.354 4.777 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.630 4.806 -2.592 1.00 0.00 H new ATOM 115 N PRO A 7 -7.035 0.081 -4.841 1.00 0.00 N ATOM 116 CA PRO A 7 -6.540 -0.961 -5.730 1.00 0.00 C ATOM 117 C PRO A 7 -7.184 -0.901 -7.121 1.00 0.00 C ATOM 118 O PRO A 7 -8.402 -0.782 -7.251 1.00 0.00 O ATOM 119 CB PRO A 7 -6.834 -2.277 -5.002 1.00 0.00 C ATOM 120 CG PRO A 7 -8.109 -1.962 -4.219 1.00 0.00 C ATOM 121 CD PRO A 7 -7.943 -0.487 -3.849 1.00 0.00 C ATOM 0 HA PRO A 7 -5.475 -0.844 -5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.983 -3.100 -5.701 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.016 -2.564 -4.342 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.002 -2.127 -4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.202 -2.590 -3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.904 0.028 -3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.537 -0.381 -2.843 1.00 0.00 H new ATOM 129 N ALA A 8 -6.377 -1.070 -8.171 1.00 0.00 N ATOM 130 CA ALA A 8 -6.808 -1.248 -9.564 1.00 0.00 C ATOM 131 C ALA A 8 -7.380 -2.666 -9.836 1.00 0.00 C ATOM 132 O ALA A 8 -7.061 -3.302 -10.845 1.00 0.00 O ATOM 133 CB ALA A 8 -5.622 -0.884 -10.471 1.00 0.00 C ATOM 0 H ALA A 8 -5.362 -1.088 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.643 -0.583 -9.783 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.911 -1.006 -11.515 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.333 0.152 -10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.780 -1.539 -10.249 1.00 0.00 H new ATOM 139 N VAL A 9 -8.181 -3.191 -8.901 1.00 0.00 N ATOM 140 CA VAL A 9 -8.633 -4.593 -8.818 1.00 0.00 C ATOM 141 C VAL A 9 -10.113 -4.642 -8.412 1.00 0.00 C ATOM 142 O VAL A 9 -10.557 -3.842 -7.585 1.00 0.00 O ATOM 143 CB VAL A 9 -7.769 -5.394 -7.812 1.00 0.00 C ATOM 144 CG1 VAL A 9 -8.137 -6.883 -7.780 1.00 0.00 C ATOM 145 CG2 VAL A 9 -6.264 -5.306 -8.114 1.00 0.00 C ATOM 0 H VAL A 9 -8.553 -2.623 -8.140 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.519 -5.052 -9.800 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.981 -4.931 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.503 -7.399 -7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.181 -6.993 -7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.989 -7.316 -8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.710 -5.887 -7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.069 -5.704 -9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.944 -4.265 -8.071 1.00 0.00 H new ATOM 155 N GLY A 10 -10.881 -5.580 -8.976 1.00 0.00 N ATOM 156 CA GLY A 10 -12.293 -5.796 -8.630 1.00 0.00 C ATOM 157 C GLY A 10 -13.163 -4.569 -8.925 1.00 0.00 C ATOM 158 O GLY A 10 -13.305 -4.164 -10.083 1.00 0.00 O ATOM 0 H GLY A 10 -10.538 -6.218 -9.694 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.674 -6.651 -9.189 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.370 -6.047 -7.572 1.00 0.00 H new ATOM 162 N GLY A 11 -13.728 -3.960 -7.877 1.00 0.00 N ATOM 163 CA GLY A 11 -14.525 -2.727 -7.970 1.00 0.00 C ATOM 164 C GLY A 11 -13.729 -1.466 -8.350 1.00 0.00 C ATOM 165 O GLY A 11 -14.326 -0.481 -8.789 1.00 0.00 O ATOM 0 H GLY A 11 -13.644 -4.314 -6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.314 -2.877 -8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -15.014 -2.555 -7.011 1.00 0.00 H new ATOM 169 N GLY A 12 -12.396 -1.477 -8.205 1.00 0.00 N ATOM 170 CA GLY A 12 -11.503 -0.369 -8.590 1.00 0.00 C ATOM 171 C GLY A 12 -11.601 0.899 -7.720 1.00 0.00 C ATOM 172 O GLY A 12 -11.020 1.932 -8.066 1.00 0.00 O ATOM 0 H GLY A 12 -11.896 -2.273 -7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.474 -0.729 -8.562 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.717 -0.096 -9.623 1.00 0.00 H new ATOM 176 N SER A 13 -12.370 0.853 -6.629 1.00 0.00 N ATOM 177 CA SER A 13 -12.768 1.994 -5.791 1.00 0.00 C ATOM 178 C SER A 13 -11.858 2.204 -4.562 1.00 0.00 C ATOM 179 O SER A 13 -11.180 1.266 -4.127 1.00 0.00 O ATOM 180 CB SER A 13 -14.227 1.785 -5.356 1.00 0.00 C ATOM 181 OG SER A 13 -14.391 0.550 -4.673 1.00 0.00 O ATOM 0 H SER A 13 -12.754 -0.027 -6.286 1.00 0.00 H new ATOM 0 HA SER A 13 -12.664 2.901 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.536 2.605 -4.708 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.876 1.808 -6.231 1.00 0.00 H new ATOM 0 HG SER A 13 -15.328 0.445 -4.407 1.00 0.00 H new ATOM 187 N PRO A 14 -11.831 3.417 -3.968 1.00 0.00 N ATOM 188 CA PRO A 14 -11.171 3.666 -2.685 1.00 0.00 C ATOM 189 C PRO A 14 -11.854 2.915 -1.526 1.00 0.00 C ATOM 190 O PRO A 14 -13.083 2.809 -1.470 1.00 0.00 O ATOM 191 CB PRO A 14 -11.226 5.186 -2.480 1.00 0.00 C ATOM 192 CG PRO A 14 -12.473 5.601 -3.258 1.00 0.00 C ATOM 193 CD PRO A 14 -12.458 4.644 -4.448 1.00 0.00 C ATOM 0 HA PRO A 14 -10.145 3.299 -2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.305 5.447 -1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.331 5.676 -2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.378 5.491 -2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.425 6.643 -3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.469 4.451 -4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.899 5.067 -5.282 1.00 0.00 H new ATOM 201 N LEU A 15 -11.051 2.429 -0.577 1.00 0.00 N ATOM 202 CA LEU A 15 -11.469 1.635 0.583 1.00 0.00 C ATOM 203 C LEU A 15 -10.849 2.197 1.872 1.00 0.00 C ATOM 204 O LEU A 15 -9.629 2.183 2.045 1.00 0.00 O ATOM 205 CB LEU A 15 -11.054 0.165 0.368 1.00 0.00 C ATOM 206 CG LEU A 15 -11.790 -0.554 -0.779 1.00 0.00 C ATOM 207 CD1 LEU A 15 -11.064 -1.852 -1.130 1.00 0.00 C ATOM 208 CD2 LEU A 15 -13.233 -0.897 -0.399 1.00 0.00 C ATOM 0 H LEU A 15 -10.043 2.585 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.553 1.687 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.982 0.130 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.227 -0.385 1.293 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.802 0.125 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.590 -2.355 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.045 -1.626 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.039 -2.503 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.719 -1.403 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -13.234 -1.552 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.775 0.019 -0.165 1.00 0.00 H new ATOM 220 N GLU A 16 -11.693 2.685 2.783 1.00 0.00 N ATOM 221 CA GLU A 16 -11.283 3.132 4.123 1.00 0.00 C ATOM 222 C GLU A 16 -10.971 1.936 5.038 1.00 0.00 C ATOM 223 O GLU A 16 -11.815 1.055 5.227 1.00 0.00 O ATOM 224 CB GLU A 16 -12.367 4.032 4.748 1.00 0.00 C ATOM 225 CG GLU A 16 -12.322 5.445 4.146 1.00 0.00 C ATOM 226 CD GLU A 16 -13.555 6.322 4.433 1.00 0.00 C ATOM 227 OE1 GLU A 16 -14.286 6.093 5.427 1.00 0.00 O ATOM 228 OE2 GLU A 16 -13.773 7.284 3.653 1.00 0.00 O ATOM 0 H GLU A 16 -12.694 2.784 2.612 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.369 3.716 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.350 3.593 4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.222 4.087 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.437 5.956 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.202 5.358 3.066 1.00 0.00 H new ATOM 235 N LEU A 17 -9.770 1.918 5.628 1.00 0.00 N ATOM 236 CA LEU A 17 -9.273 0.865 6.526 1.00 0.00 C ATOM 237 C LEU A 17 -8.528 1.467 7.725 1.00 0.00 C ATOM 238 O LEU A 17 -7.899 2.519 7.613 1.00 0.00 O ATOM 239 CB LEU A 17 -8.349 -0.103 5.755 1.00 0.00 C ATOM 240 CG LEU A 17 -9.013 -0.929 4.636 1.00 0.00 C ATOM 241 CD1 LEU A 17 -7.939 -1.710 3.880 1.00 0.00 C ATOM 242 CD2 LEU A 17 -10.023 -1.941 5.183 1.00 0.00 C ATOM 0 H LEU A 17 -9.090 2.665 5.488 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.132 0.310 6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.535 0.475 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.901 -0.793 6.471 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.536 -0.227 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.405 -2.296 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.223 -1.014 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.422 -2.378 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.464 -2.498 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.517 -2.632 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.808 -1.414 5.725 1.00 0.00 H new ATOM 254 N GLU A 18 -8.578 0.791 8.873 1.00 0.00 N ATOM 255 CA GLU A 18 -7.844 1.154 10.094 1.00 0.00 C ATOM 256 C GLU A 18 -6.541 0.337 10.193 1.00 0.00 C ATOM 257 O GLU A 18 -6.566 -0.889 10.040 1.00 0.00 O ATOM 258 CB GLU A 18 -8.766 0.940 11.312 1.00 0.00 C ATOM 259 CG GLU A 18 -8.637 2.019 12.398 1.00 0.00 C ATOM 260 CD GLU A 18 -7.312 1.992 13.183 1.00 0.00 C ATOM 261 OE1 GLU A 18 -6.782 0.894 13.476 1.00 0.00 O ATOM 262 OE2 GLU A 18 -6.821 3.087 13.548 1.00 0.00 O ATOM 0 H GLU A 18 -9.145 -0.049 8.986 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.555 2.205 10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.800 0.908 10.969 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.546 -0.032 11.754 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.747 2.998 11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.462 1.907 13.102 1.00 0.00 H new ATOM 269 N VAL A 19 -5.403 0.998 10.437 1.00 0.00 N ATOM 270 CA VAL A 19 -4.063 0.378 10.509 1.00 0.00 C ATOM 271 C VAL A 19 -3.233 0.887 11.693 1.00 0.00 C ATOM 272 O VAL A 19 -3.347 2.041 12.119 1.00 0.00 O ATOM 273 CB VAL A 19 -3.267 0.539 9.195 1.00 0.00 C ATOM 274 CG1 VAL A 19 -3.935 -0.194 8.026 1.00 0.00 C ATOM 275 CG2 VAL A 19 -3.028 2.001 8.797 1.00 0.00 C ATOM 0 H VAL A 19 -5.382 2.006 10.595 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.250 -0.684 10.667 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.297 0.087 9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.342 -0.054 7.122 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.003 -1.258 8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.936 0.208 7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.463 2.037 7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.986 2.502 8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.464 2.504 9.582 1.00 0.00 H new ATOM 285 N ALA A 20 -2.359 0.015 12.203 1.00 0.00 N ATOM 286 CA ALA A 20 -1.406 0.316 13.272 1.00 0.00 C ATOM 287 C ALA A 20 -0.349 1.366 12.845 1.00 0.00 C ATOM 288 O ALA A 20 -0.011 1.450 11.659 1.00 0.00 O ATOM 289 CB ALA A 20 -0.744 -1.005 13.693 1.00 0.00 C ATOM 0 H ALA A 20 -2.294 -0.948 11.873 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.937 0.762 14.113 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.026 -0.814 14.491 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.507 -1.697 14.049 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.229 -1.442 12.838 1.00 0.00 H new ATOM 295 N PRO A 21 0.233 2.136 13.788 1.00 0.00 N ATOM 296 CA PRO A 21 1.295 3.110 13.493 1.00 0.00 C ATOM 297 C PRO A 21 2.610 2.464 13.011 1.00 0.00 C ATOM 298 O PRO A 21 3.379 3.088 12.277 1.00 0.00 O ATOM 299 CB PRO A 21 1.496 3.876 14.807 1.00 0.00 C ATOM 300 CG PRO A 21 1.055 2.892 15.889 1.00 0.00 C ATOM 301 CD PRO A 21 -0.091 2.149 15.211 1.00 0.00 C ATOM 0 HA PRO A 21 1.004 3.757 12.665 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.536 4.173 14.939 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.899 4.788 14.831 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.861 2.218 16.178 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.728 3.404 16.794 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.185 1.135 15.600 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.043 2.649 15.391 1.00 0.00 H new ATOM 309 N ASN A 22 2.861 1.203 13.380 1.00 0.00 N ATOM 310 CA ASN A 22 4.044 0.413 13.009 1.00 0.00 C ATOM 311 C ASN A 22 3.942 -0.200 11.585 1.00 0.00 C ATOM 312 O ASN A 22 4.330 -1.347 11.351 1.00 0.00 O ATOM 313 CB ASN A 22 4.278 -0.623 14.131 1.00 0.00 C ATOM 314 CG ASN A 22 5.695 -1.176 14.188 1.00 0.00 C ATOM 315 OD1 ASN A 22 6.623 -0.707 13.544 1.00 0.00 O ATOM 316 ND2 ASN A 22 5.922 -2.178 15.010 1.00 0.00 N ATOM 0 H ASN A 22 2.216 0.680 13.973 1.00 0.00 H new ATOM 0 HA ASN A 22 4.921 1.056 12.933 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.042 -0.162 15.090 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.583 -1.451 13.995 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.865 -2.556 15.105 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.155 -2.577 15.552 1.00 0.00 H new ATOM 323 N ALA A 23 3.361 0.544 10.636 1.00 0.00 N ATOM 324 CA ALA A 23 3.101 0.128 9.253 1.00 0.00 C ATOM 325 C ALA A 23 4.368 0.185 8.366 1.00 0.00 C ATOM 326 O ALA A 23 4.486 1.015 7.461 1.00 0.00 O ATOM 327 CB ALA A 23 1.941 0.974 8.704 1.00 0.00 C ATOM 0 H ALA A 23 3.045 1.496 10.820 1.00 0.00 H new ATOM 0 HA ALA A 23 2.810 -0.922 9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.731 0.680 7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.053 0.814 9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.215 2.029 8.731 1.00 0.00 H new ATOM 333 N THR A 24 5.338 -0.690 8.643 1.00 0.00 N ATOM 334 CA THR A 24 6.609 -0.795 7.904 1.00 0.00 C ATOM 335 C THR A 24 6.399 -1.208 6.442 1.00 0.00 C ATOM 336 O THR A 24 5.570 -2.068 6.140 1.00 0.00 O ATOM 337 CB THR A 24 7.561 -1.777 8.614 1.00 0.00 C ATOM 338 OG1 THR A 24 7.750 -1.380 9.952 1.00 0.00 O ATOM 339 CG2 THR A 24 8.949 -1.873 7.975 1.00 0.00 C ATOM 0 H THR A 24 5.264 -1.364 9.405 1.00 0.00 H new ATOM 0 HA THR A 24 7.062 0.196 7.894 1.00 0.00 H new ATOM 0 HB THR A 24 7.080 -2.752 8.532 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.030 -0.441 9.978 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.558 -2.584 8.533 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.852 -2.210 6.943 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.427 -0.893 7.993 1.00 0.00 H new ATOM 347 N VAL A 25 7.181 -0.625 5.523 1.00 0.00 N ATOM 348 CA VAL A 25 7.038 -0.827 4.065 1.00 0.00 C ATOM 349 C VAL A 25 7.213 -2.296 3.665 1.00 0.00 C ATOM 350 O VAL A 25 6.409 -2.830 2.903 1.00 0.00 O ATOM 351 CB VAL A 25 8.024 0.053 3.272 1.00 0.00 C ATOM 352 CG1 VAL A 25 7.752 -0.032 1.766 1.00 0.00 C ATOM 353 CG2 VAL A 25 7.942 1.526 3.690 1.00 0.00 C ATOM 0 H VAL A 25 7.941 0.009 5.769 1.00 0.00 H new ATOM 0 HA VAL A 25 6.021 -0.527 3.813 1.00 0.00 H new ATOM 0 HB VAL A 25 9.020 -0.329 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.463 0.599 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.862 -1.064 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.738 0.309 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.653 2.110 3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.934 1.899 3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.181 1.617 4.750 1.00 0.00 H new ATOM 363 N GLY A 26 8.221 -2.976 4.221 1.00 0.00 N ATOM 364 CA GLY A 26 8.471 -4.400 3.973 1.00 0.00 C ATOM 365 C GLY A 26 7.309 -5.303 4.407 1.00 0.00 C ATOM 366 O GLY A 26 6.979 -6.257 3.703 1.00 0.00 O ATOM 0 H GLY A 26 8.892 -2.550 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.661 -4.549 2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.374 -4.701 4.503 1.00 0.00 H new ATOM 370 N ALA A 27 6.633 -4.969 5.513 1.00 0.00 N ATOM 371 CA ALA A 27 5.477 -5.718 6.006 1.00 0.00 C ATOM 372 C ALA A 27 4.282 -5.627 5.039 1.00 0.00 C ATOM 373 O ALA A 27 3.750 -6.663 4.634 1.00 0.00 O ATOM 374 CB ALA A 27 5.122 -5.233 7.419 1.00 0.00 C ATOM 0 H ALA A 27 6.876 -4.166 6.093 1.00 0.00 H new ATOM 0 HA ALA A 27 5.736 -6.775 6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.261 -5.789 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.971 -5.395 8.083 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.882 -4.170 7.389 1.00 0.00 H new ATOM 380 N VAL A 28 3.891 -4.419 4.604 1.00 0.00 N ATOM 381 CA VAL A 28 2.796 -4.247 3.627 1.00 0.00 C ATOM 382 C VAL A 28 3.162 -4.810 2.246 1.00 0.00 C ATOM 383 O VAL A 28 2.324 -5.456 1.619 1.00 0.00 O ATOM 384 CB VAL A 28 2.282 -2.791 3.572 1.00 0.00 C ATOM 385 CG1 VAL A 28 3.324 -1.768 3.114 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.054 -2.658 2.661 1.00 0.00 C ATOM 0 H VAL A 28 4.315 -3.544 4.912 1.00 0.00 H new ATOM 0 HA VAL A 28 1.956 -4.844 3.982 1.00 0.00 H new ATOM 0 HB VAL A 28 2.024 -2.565 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.878 -0.773 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.171 -1.779 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.666 -2.021 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.721 -1.620 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.316 -2.968 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.251 -3.291 3.038 1.00 0.00 H new ATOM 396 N ARG A 29 4.421 -4.681 1.802 1.00 0.00 N ATOM 397 CA ARG A 29 4.936 -5.292 0.561 1.00 0.00 C ATOM 398 C ARG A 29 4.800 -6.817 0.578 1.00 0.00 C ATOM 399 O ARG A 29 4.271 -7.392 -0.373 1.00 0.00 O ATOM 400 CB ARG A 29 6.382 -4.800 0.347 1.00 0.00 C ATOM 401 CG ARG A 29 7.141 -5.380 -0.861 1.00 0.00 C ATOM 402 CD ARG A 29 7.843 -6.711 -0.543 1.00 0.00 C ATOM 403 NE ARG A 29 8.829 -7.068 -1.582 1.00 0.00 N ATOM 404 CZ ARG A 29 9.738 -8.024 -1.502 1.00 0.00 C ATOM 405 NH1 ARG A 29 9.832 -8.806 -0.463 1.00 0.00 N ATOM 406 NH2 ARG A 29 10.585 -8.215 -2.472 1.00 0.00 N ATOM 0 H ARG A 29 5.126 -4.139 2.303 1.00 0.00 H new ATOM 0 HA ARG A 29 4.337 -4.977 -0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.360 -3.715 0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.954 -5.024 1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.443 -5.531 -1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.882 -4.656 -1.200 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.342 -6.638 0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.100 -7.504 -0.458 1.00 0.00 H new ATOM 0 HE ARG A 29 8.807 -6.524 -2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.191 -8.690 0.322 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.546 -9.534 -0.435 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.551 -7.624 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.283 -8.955 -2.401 1.00 0.00 H new ATOM 420 N THR A 30 5.214 -7.477 1.661 1.00 0.00 N ATOM 421 CA THR A 30 5.055 -8.934 1.834 1.00 0.00 C ATOM 422 C THR A 30 3.583 -9.343 1.955 1.00 0.00 C ATOM 423 O THR A 30 3.181 -10.329 1.338 1.00 0.00 O ATOM 424 CB THR A 30 5.886 -9.423 3.035 1.00 0.00 C ATOM 425 OG1 THR A 30 7.260 -9.331 2.709 1.00 0.00 O ATOM 426 CG2 THR A 30 5.629 -10.877 3.437 1.00 0.00 C ATOM 0 H THR A 30 5.672 -7.020 2.450 1.00 0.00 H new ATOM 0 HA THR A 30 5.434 -9.422 0.936 1.00 0.00 H new ATOM 0 HB THR A 30 5.591 -8.788 3.871 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.585 -8.429 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.256 -11.135 4.290 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.580 -11.000 3.708 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.867 -11.533 2.600 1.00 0.00 H new ATOM 434 N LYS A 31 2.749 -8.571 2.668 1.00 0.00 N ATOM 435 CA LYS A 31 1.299 -8.821 2.792 1.00 0.00 C ATOM 436 C LYS A 31 0.592 -8.756 1.431 1.00 0.00 C ATOM 437 O LYS A 31 -0.176 -9.659 1.106 1.00 0.00 O ATOM 438 CB LYS A 31 0.698 -7.822 3.801 1.00 0.00 C ATOM 439 CG LYS A 31 -0.709 -8.185 4.316 1.00 0.00 C ATOM 440 CD LYS A 31 -0.705 -8.950 5.654 1.00 0.00 C ATOM 441 CE LYS A 31 -0.135 -10.375 5.601 1.00 0.00 C ATOM 442 NZ LYS A 31 -1.058 -11.323 4.921 1.00 0.00 N ATOM 0 H LYS A 31 3.062 -7.747 3.181 1.00 0.00 H new ATOM 0 HA LYS A 31 1.144 -9.834 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.371 -7.741 4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.655 -6.838 3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.290 -7.270 4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.216 -8.790 3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.130 -8.375 6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.728 -9.001 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.821 -10.363 5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.060 -10.725 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.633 -12.272 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.962 -11.355 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.225 -11.005 3.945 1.00 0.00 H new ATOM 456 N VAL A 32 0.910 -7.751 0.609 1.00 0.00 N ATOM 457 CA VAL A 32 0.446 -7.615 -0.786 1.00 0.00 C ATOM 458 C VAL A 32 0.923 -8.784 -1.648 1.00 0.00 C ATOM 459 O VAL A 32 0.112 -9.396 -2.339 1.00 0.00 O ATOM 460 CB VAL A 32 0.904 -6.261 -1.376 1.00 0.00 C ATOM 461 CG1 VAL A 32 0.817 -6.179 -2.906 1.00 0.00 C ATOM 462 CG2 VAL A 32 0.052 -5.121 -0.801 1.00 0.00 C ATOM 0 H VAL A 32 1.516 -6.983 0.900 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.644 -7.637 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 32 1.954 -6.169 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.156 -5.198 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.448 -6.950 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.216 -6.331 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.382 -4.172 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.995 -5.286 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.163 -5.095 0.283 1.00 0.00 H new ATOM 472 N CYS A 33 2.211 -9.137 -1.586 1.00 0.00 N ATOM 473 CA CYS A 33 2.785 -10.241 -2.362 1.00 0.00 C ATOM 474 C CYS A 33 2.104 -11.587 -2.041 1.00 0.00 C ATOM 475 O CYS A 33 1.710 -12.320 -2.952 1.00 0.00 O ATOM 476 CB CYS A 33 4.296 -10.265 -2.096 1.00 0.00 C ATOM 477 SG CYS A 33 5.108 -11.534 -3.109 1.00 0.00 S ATOM 0 H CYS A 33 2.890 -8.661 -0.991 1.00 0.00 H new ATOM 0 HA CYS A 33 2.608 -10.083 -3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.724 -9.287 -2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.481 -10.463 -1.040 1.00 0.00 H new ATOM 0 HG CYS A 33 4.610 -11.515 -4.310 1.00 0.00 H new ATOM 483 N ALA A 34 1.876 -11.879 -0.755 1.00 0.00 N ATOM 484 CA ALA A 34 1.158 -13.070 -0.296 1.00 0.00 C ATOM 485 C ALA A 34 -0.334 -13.062 -0.691 1.00 0.00 C ATOM 486 O ALA A 34 -0.864 -14.091 -1.116 1.00 0.00 O ATOM 487 CB ALA A 34 1.333 -13.172 1.225 1.00 0.00 C ATOM 0 H ALA A 34 2.192 -11.282 0.009 1.00 0.00 H new ATOM 0 HA ALA A 34 1.580 -13.946 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.807 -14.053 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.393 -13.256 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.924 -12.280 1.699 1.00 0.00 H new ATOM 493 N MET A 35 -1.006 -11.907 -0.599 1.00 0.00 N ATOM 494 CA MET A 35 -2.417 -11.730 -0.979 1.00 0.00 C ATOM 495 C MET A 35 -2.641 -11.916 -2.492 1.00 0.00 C ATOM 496 O MET A 35 -3.587 -12.592 -2.902 1.00 0.00 O ATOM 497 CB MET A 35 -2.877 -10.339 -0.508 1.00 0.00 C ATOM 498 CG MET A 35 -4.352 -10.035 -0.808 1.00 0.00 C ATOM 499 SD MET A 35 -4.869 -8.336 -0.423 1.00 0.00 S ATOM 500 CE MET A 35 -4.661 -8.304 1.380 1.00 0.00 C ATOM 0 H MET A 35 -0.576 -11.050 -0.251 1.00 0.00 H new ATOM 0 HA MET A 35 -3.015 -12.501 -0.493 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.711 -10.257 0.566 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.256 -9.581 -0.985 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.541 -10.228 -1.864 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.974 -10.727 -0.241 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.072 -7.376 1.777 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.185 -9.152 1.822 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.601 -8.365 1.625 1.00 0.00 H new ATOM 510 N LYS A 36 -1.757 -11.346 -3.323 1.00 0.00 N ATOM 511 CA LYS A 36 -1.782 -11.468 -4.793 1.00 0.00 C ATOM 512 C LYS A 36 -1.294 -12.830 -5.299 1.00 0.00 C ATOM 513 O LYS A 36 -1.731 -13.263 -6.364 1.00 0.00 O ATOM 514 CB LYS A 36 -0.920 -10.343 -5.405 1.00 0.00 C ATOM 515 CG LYS A 36 -1.549 -8.941 -5.292 1.00 0.00 C ATOM 516 CD LYS A 36 -2.367 -8.522 -6.528 1.00 0.00 C ATOM 517 CE LYS A 36 -3.542 -9.458 -6.840 1.00 0.00 C ATOM 518 NZ LYS A 36 -4.257 -9.039 -8.074 1.00 0.00 N ATOM 0 H LYS A 36 -0.984 -10.772 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.822 -11.378 -5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.052 -10.335 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.742 -10.567 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.195 -8.913 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.757 -8.210 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.750 -7.513 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.706 -8.483 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.175 -10.478 -6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.237 -9.465 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.045 -9.692 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.627 -8.075 -7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.599 -9.056 -8.879 1.00 0.00 H new ATOM 532 N LYS A 37 -0.388 -13.485 -4.561 1.00 0.00 N ATOM 533 CA LYS A 37 0.369 -14.694 -4.956 1.00 0.00 C ATOM 534 C LYS A 37 1.193 -14.498 -6.249 1.00 0.00 C ATOM 535 O LYS A 37 1.396 -15.430 -7.027 1.00 0.00 O ATOM 536 CB LYS A 37 -0.561 -15.930 -4.948 1.00 0.00 C ATOM 537 CG LYS A 37 0.162 -17.274 -4.737 1.00 0.00 C ATOM 538 CD LYS A 37 0.599 -17.503 -3.279 1.00 0.00 C ATOM 539 CE LYS A 37 1.510 -18.730 -3.125 1.00 0.00 C ATOM 540 NZ LYS A 37 0.830 -20.004 -3.480 1.00 0.00 N ATOM 0 H LYS A 37 -0.146 -13.174 -3.620 1.00 0.00 H new ATOM 0 HA LYS A 37 1.138 -14.886 -4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.304 -15.804 -4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.102 -15.968 -5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.497 -18.086 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.039 -17.313 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.122 -16.618 -2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.285 -17.630 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.389 -18.605 -3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.863 -18.787 -2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.492 -20.797 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.006 -20.142 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.516 -19.966 -4.471 1.00 0.00 H new ATOM 554 N LEU A 38 1.661 -13.267 -6.481 1.00 0.00 N ATOM 555 CA LEU A 38 2.474 -12.847 -7.632 1.00 0.00 C ATOM 556 C LEU A 38 3.546 -11.813 -7.209 1.00 0.00 C ATOM 557 O LEU A 38 3.328 -11.070 -6.246 1.00 0.00 O ATOM 558 CB LEU A 38 1.570 -12.277 -8.748 1.00 0.00 C ATOM 559 CG LEU A 38 1.017 -13.324 -9.741 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.436 -13.698 -9.449 1.00 0.00 C ATOM 561 CD2 LEU A 38 1.059 -12.776 -11.170 1.00 0.00 C ATOM 0 H LEU A 38 1.475 -12.496 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 38 2.994 -13.723 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.730 -11.759 -8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.135 -11.532 -9.307 1.00 0.00 H new ATOM 0 HG LEU A 38 1.648 -14.206 -9.630 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.775 -14.436 -10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.509 -14.117 -8.445 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.062 -12.808 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.666 -13.524 -11.858 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.452 -11.873 -11.231 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.089 -12.540 -11.439 1.00 0.00 H new ATOM 573 N PRO A 39 4.701 -11.755 -7.908 1.00 0.00 N ATOM 574 CA PRO A 39 5.845 -10.919 -7.531 1.00 0.00 C ATOM 575 C PRO A 39 5.609 -9.411 -7.757 1.00 0.00 C ATOM 576 O PRO A 39 4.785 -9.029 -8.597 1.00 0.00 O ATOM 577 CB PRO A 39 7.013 -11.438 -8.382 1.00 0.00 C ATOM 578 CG PRO A 39 6.325 -11.954 -9.643 1.00 0.00 C ATOM 579 CD PRO A 39 5.027 -12.541 -9.093 1.00 0.00 C ATOM 0 HA PRO A 39 6.038 -10.996 -6.461 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.728 -10.647 -8.609 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.563 -12.229 -7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.137 -11.154 -10.359 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.926 -12.706 -10.155 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.228 -12.482 -9.832 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.151 -13.594 -8.841 1.00 0.00 H new ATOM 587 N PRO A 40 6.377 -8.531 -7.076 1.00 0.00 N ATOM 588 CA PRO A 40 6.231 -7.073 -7.166 1.00 0.00 C ATOM 589 C PRO A 40 6.529 -6.478 -8.558 1.00 0.00 C ATOM 590 O PRO A 40 6.175 -5.331 -8.832 1.00 0.00 O ATOM 591 CB PRO A 40 7.164 -6.500 -6.094 1.00 0.00 C ATOM 592 CG PRO A 40 8.236 -7.577 -5.943 1.00 0.00 C ATOM 593 CD PRO A 40 7.436 -8.863 -6.130 1.00 0.00 C ATOM 0 HA PRO A 40 5.188 -6.803 -7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.593 -5.547 -6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.637 -6.323 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.022 -7.475 -6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.718 -7.537 -4.966 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.067 -9.665 -6.513 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.022 -9.208 -5.183 1.00 0.00 H new ATOM 601 N ASP A 41 7.135 -7.250 -9.466 1.00 0.00 N ATOM 602 CA ASP A 41 7.290 -6.886 -10.884 1.00 0.00 C ATOM 603 C ASP A 41 5.949 -6.814 -11.648 1.00 0.00 C ATOM 604 O ASP A 41 5.863 -6.138 -12.676 1.00 0.00 O ATOM 605 CB ASP A 41 8.228 -7.896 -11.564 1.00 0.00 C ATOM 606 CG ASP A 41 9.627 -7.957 -10.929 1.00 0.00 C ATOM 607 OD1 ASP A 41 10.255 -6.890 -10.716 1.00 0.00 O ATOM 608 OD2 ASP A 41 10.120 -9.079 -10.662 1.00 0.00 O ATOM 0 H ASP A 41 7.538 -8.158 -9.237 1.00 0.00 H new ATOM 0 HA ASP A 41 7.715 -5.883 -10.915 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.775 -8.886 -11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.327 -7.636 -12.618 1.00 0.00 H new ATOM 613 N THR A 42 4.900 -7.490 -11.155 1.00 0.00 N ATOM 614 CA THR A 42 3.549 -7.508 -11.760 1.00 0.00 C ATOM 615 C THR A 42 2.535 -6.618 -11.031 1.00 0.00 C ATOM 616 O THR A 42 1.591 -6.140 -11.663 1.00 0.00 O ATOM 617 CB THR A 42 2.987 -8.935 -11.852 1.00 0.00 C ATOM 618 OG1 THR A 42 2.710 -9.459 -10.572 1.00 0.00 O ATOM 619 CG2 THR A 42 3.914 -9.905 -12.587 1.00 0.00 C ATOM 0 H THR A 42 4.963 -8.053 -10.307 1.00 0.00 H new ATOM 0 HA THR A 42 3.688 -7.100 -12.761 1.00 0.00 H new ATOM 0 HB THR A 42 2.067 -8.844 -12.430 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.468 -9.284 -9.976 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.457 -10.894 -12.616 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.078 -9.551 -13.605 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.869 -9.962 -12.065 1.00 0.00 H new ATOM 627 N THR A 43 2.726 -6.354 -9.731 1.00 0.00 N ATOM 628 CA THR A 43 1.862 -5.485 -8.909 1.00 0.00 C ATOM 629 C THR A 43 2.697 -4.627 -7.958 1.00 0.00 C ATOM 630 O THR A 43 3.493 -5.162 -7.185 1.00 0.00 O ATOM 631 CB THR A 43 0.826 -6.297 -8.108 1.00 0.00 C ATOM 632 OG1 THR A 43 -0.046 -6.982 -8.979 1.00 0.00 O ATOM 633 CG2 THR A 43 -0.061 -5.424 -7.216 1.00 0.00 C ATOM 0 H THR A 43 3.506 -6.748 -9.205 1.00 0.00 H new ATOM 0 HA THR A 43 1.322 -4.833 -9.596 1.00 0.00 H new ATOM 0 HB THR A 43 1.411 -6.978 -7.490 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.974 -6.811 -8.714 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.769 -6.055 -6.678 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.560 -4.885 -6.501 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.607 -4.710 -7.833 1.00 0.00 H new ATOM 641 N ARG A 44 2.497 -3.303 -7.976 1.00 0.00 N ATOM 642 CA ARG A 44 3.268 -2.316 -7.192 1.00 0.00 C ATOM 643 C ARG A 44 2.378 -1.276 -6.502 1.00 0.00 C ATOM 644 O ARG A 44 1.187 -1.171 -6.799 1.00 0.00 O ATOM 645 CB ARG A 44 4.382 -1.702 -8.068 1.00 0.00 C ATOM 646 CG ARG A 44 3.858 -0.878 -9.258 1.00 0.00 C ATOM 647 CD ARG A 44 4.987 -0.371 -10.165 1.00 0.00 C ATOM 648 NE ARG A 44 5.831 0.646 -9.503 1.00 0.00 N ATOM 649 CZ ARG A 44 6.913 1.216 -10.005 1.00 0.00 C ATOM 650 NH1 ARG A 44 7.367 0.921 -11.191 1.00 0.00 N ATOM 651 NH2 ARG A 44 7.569 2.108 -9.319 1.00 0.00 N ATOM 0 H ARG A 44 1.774 -2.871 -8.552 1.00 0.00 H new ATOM 0 HA ARG A 44 3.754 -2.836 -6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.010 -1.064 -7.446 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.017 -2.504 -8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.172 -1.489 -9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.288 -0.028 -8.884 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.609 -1.212 -10.470 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.557 0.053 -11.072 1.00 0.00 H new ATOM 0 HE ARG A 44 5.551 0.937 -8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.884 0.230 -11.765 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.205 1.382 -11.545 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.249 2.371 -8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.403 2.543 -9.714 1.00 0.00 H new ATOM 665 N LEU A 45 2.959 -0.527 -5.564 1.00 0.00 N ATOM 666 CA LEU A 45 2.257 0.352 -4.620 1.00 0.00 C ATOM 667 C LEU A 45 2.976 1.702 -4.466 1.00 0.00 C ATOM 668 O LEU A 45 4.198 1.739 -4.308 1.00 0.00 O ATOM 669 CB LEU A 45 2.144 -0.410 -3.283 1.00 0.00 C ATOM 670 CG LEU A 45 1.418 0.313 -2.132 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.010 0.778 -2.512 1.00 0.00 C ATOM 672 CD2 LEU A 45 1.304 -0.642 -0.943 1.00 0.00 C ATOM 0 H LEU A 45 3.971 -0.513 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 45 1.261 0.596 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.629 -1.352 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.151 -0.658 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 45 2.005 1.199 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.450 1.280 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.070 1.470 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.594 -0.084 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.792 -0.141 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.738 -1.525 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.301 -0.941 -0.620 1.00 0.00 H new ATOM 684 N THR A 46 2.223 2.805 -4.482 1.00 0.00 N ATOM 685 CA THR A 46 2.740 4.175 -4.275 1.00 0.00 C ATOM 686 C THR A 46 1.845 5.007 -3.346 1.00 0.00 C ATOM 687 O THR A 46 0.665 4.708 -3.145 1.00 0.00 O ATOM 688 CB THR A 46 2.992 4.921 -5.602 1.00 0.00 C ATOM 689 OG1 THR A 46 1.807 5.073 -6.345 1.00 0.00 O ATOM 690 CG2 THR A 46 4.020 4.243 -6.508 1.00 0.00 C ATOM 0 H THR A 46 1.216 2.778 -4.642 1.00 0.00 H new ATOM 0 HA THR A 46 3.703 4.051 -3.781 1.00 0.00 H new ATOM 0 HB THR A 46 3.386 5.889 -5.294 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.002 5.551 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.142 4.827 -7.420 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.976 4.178 -5.988 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.676 3.240 -6.762 1.00 0.00 H new ATOM 698 N TYR A 47 2.435 6.051 -2.761 1.00 0.00 N ATOM 699 CA TYR A 47 1.864 6.955 -1.757 1.00 0.00 C ATOM 700 C TYR A 47 2.283 8.401 -2.064 1.00 0.00 C ATOM 701 O TYR A 47 3.468 8.671 -2.263 1.00 0.00 O ATOM 702 CB TYR A 47 2.371 6.526 -0.368 1.00 0.00 C ATOM 703 CG TYR A 47 2.304 7.596 0.714 1.00 0.00 C ATOM 704 CD1 TYR A 47 1.073 8.181 1.081 1.00 0.00 C ATOM 705 CD2 TYR A 47 3.494 8.043 1.323 1.00 0.00 C ATOM 706 CE1 TYR A 47 1.034 9.198 2.053 1.00 0.00 C ATOM 707 CE2 TYR A 47 3.459 9.056 2.300 1.00 0.00 C ATOM 708 CZ TYR A 47 2.227 9.639 2.668 1.00 0.00 C ATOM 709 OH TYR A 47 2.185 10.637 3.591 1.00 0.00 O ATOM 0 H TYR A 47 3.395 6.307 -2.993 1.00 0.00 H new ATOM 0 HA TYR A 47 0.775 6.904 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.790 5.664 -0.039 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.405 6.196 -0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.158 7.847 0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.439 7.605 1.038 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.089 9.643 2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.374 9.387 2.768 1.00 0.00 H new ATOM 0 HH TYR A 47 3.091 10.819 3.917 1.00 0.00 H new ATOM 719 N LYS A 48 1.321 9.334 -2.122 1.00 0.00 N ATOM 720 CA LYS A 48 1.558 10.773 -2.383 1.00 0.00 C ATOM 721 C LYS A 48 2.393 11.040 -3.659 1.00 0.00 C ATOM 722 O LYS A 48 3.179 11.985 -3.725 1.00 0.00 O ATOM 723 CB LYS A 48 2.103 11.438 -1.091 1.00 0.00 C ATOM 724 CG LYS A 48 1.398 12.751 -0.705 1.00 0.00 C ATOM 725 CD LYS A 48 1.602 13.937 -1.664 1.00 0.00 C ATOM 726 CE LYS A 48 3.057 14.420 -1.774 1.00 0.00 C ATOM 727 NZ LYS A 48 3.543 15.060 -0.523 1.00 0.00 N ATOM 0 H LYS A 48 0.335 9.111 -1.987 1.00 0.00 H new ATOM 0 HA LYS A 48 0.610 11.254 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.007 10.732 -0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.167 11.636 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.329 12.555 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.743 13.047 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.251 13.652 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.980 14.768 -1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.699 13.574 -2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.139 15.130 -2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.528 15.367 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.949 15.884 -0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.492 14.376 0.259 1.00 0.00 H new ATOM 741 N GLY A 49 2.253 10.176 -4.671 1.00 0.00 N ATOM 742 CA GLY A 49 3.008 10.227 -5.934 1.00 0.00 C ATOM 743 C GLY A 49 4.445 9.674 -5.883 1.00 0.00 C ATOM 744 O GLY A 49 5.186 9.834 -6.856 1.00 0.00 O ATOM 0 H GLY A 49 1.593 9.399 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.452 9.671 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.050 11.264 -6.268 1.00 0.00 H new ATOM 748 N ARG A 50 4.856 9.030 -4.779 1.00 0.00 N ATOM 749 CA ARG A 50 6.190 8.433 -4.557 1.00 0.00 C ATOM 750 C ARG A 50 6.111 6.934 -4.247 1.00 0.00 C ATOM 751 O ARG A 50 5.145 6.461 -3.646 1.00 0.00 O ATOM 752 CB ARG A 50 6.901 9.158 -3.395 1.00 0.00 C ATOM 753 CG ARG A 50 7.236 10.638 -3.645 1.00 0.00 C ATOM 754 CD ARG A 50 8.213 10.833 -4.814 1.00 0.00 C ATOM 755 NE ARG A 50 8.797 12.190 -4.814 1.00 0.00 N ATOM 756 CZ ARG A 50 9.883 12.592 -4.173 1.00 0.00 C ATOM 757 NH1 ARG A 50 10.586 11.791 -3.420 1.00 0.00 N ATOM 758 NH2 ARG A 50 10.289 13.824 -4.273 1.00 0.00 N ATOM 0 H ARG A 50 4.240 8.903 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 50 6.756 8.553 -5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.271 9.091 -2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.826 8.627 -3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.316 11.185 -3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.667 11.067 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.011 10.093 -4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.693 10.660 -5.756 1.00 0.00 H new ATOM 0 HE ARG A 50 8.310 12.894 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.304 10.817 -3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.417 12.139 -2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.769 14.487 -4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.127 14.127 -3.776 1.00 0.00 H new ATOM 772 N ALA A 51 7.154 6.185 -4.601 1.00 0.00 N ATOM 773 CA ALA A 51 7.363 4.824 -4.106 1.00 0.00 C ATOM 774 C ALA A 51 7.928 4.853 -2.670 1.00 0.00 C ATOM 775 O ALA A 51 8.955 5.489 -2.411 1.00 0.00 O ATOM 776 CB ALA A 51 8.292 4.082 -5.074 1.00 0.00 C ATOM 0 H ALA A 51 7.881 6.505 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 51 6.413 4.291 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.455 3.066 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.835 4.048 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.247 4.603 -5.133 1.00 0.00 H new ATOM 782 N LEU A 52 7.274 4.154 -1.737 1.00 0.00 N ATOM 783 CA LEU A 52 7.791 3.927 -0.380 1.00 0.00 C ATOM 784 C LEU A 52 8.924 2.886 -0.396 1.00 0.00 C ATOM 785 O LEU A 52 8.805 1.851 -1.060 1.00 0.00 O ATOM 786 CB LEU A 52 6.643 3.464 0.540 1.00 0.00 C ATOM 787 CG LEU A 52 5.715 4.598 1.014 1.00 0.00 C ATOM 788 CD1 LEU A 52 4.421 4.012 1.581 1.00 0.00 C ATOM 789 CD2 LEU A 52 6.375 5.437 2.111 1.00 0.00 C ATOM 0 H LEU A 52 6.363 3.725 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 52 8.200 4.862 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.047 2.720 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.069 2.970 1.413 1.00 0.00 H new ATOM 0 HG LEU A 52 5.507 5.230 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.771 4.821 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.914 3.433 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.655 3.363 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.694 6.229 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.608 4.801 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.294 5.880 1.727 1.00 0.00 H new ATOM 801 N LYS A 53 9.999 3.138 0.364 1.00 0.00 N ATOM 802 CA LYS A 53 11.085 2.178 0.644 1.00 0.00 C ATOM 803 C LYS A 53 11.926 2.622 1.849 1.00 0.00 C ATOM 804 O LYS A 53 12.226 3.808 1.992 1.00 0.00 O ATOM 805 CB LYS A 53 11.980 1.993 -0.605 1.00 0.00 C ATOM 806 CG LYS A 53 12.580 0.580 -0.728 1.00 0.00 C ATOM 807 CD LYS A 53 11.564 -0.535 -1.057 1.00 0.00 C ATOM 808 CE LYS A 53 10.829 -0.359 -2.397 1.00 0.00 C ATOM 809 NZ LYS A 53 11.729 -0.534 -3.569 1.00 0.00 N ATOM 0 H LYS A 53 10.145 4.041 0.816 1.00 0.00 H new ATOM 0 HA LYS A 53 10.629 1.220 0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.393 2.209 -1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.790 2.721 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.346 0.593 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.079 0.331 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.086 -1.492 -1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.826 -0.583 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.014 -1.080 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.380 0.633 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.185 -0.405 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.493 0.171 -3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.139 -1.490 -3.552 1.00 0.00 H new ATOM 823 N ASP A 54 12.325 1.667 2.693 1.00 0.00 N ATOM 824 CA ASP A 54 13.220 1.854 3.856 1.00 0.00 C ATOM 825 C ASP A 54 12.754 2.921 4.884 1.00 0.00 C ATOM 826 O ASP A 54 13.562 3.540 5.583 1.00 0.00 O ATOM 827 CB ASP A 54 14.668 2.053 3.362 1.00 0.00 C ATOM 828 CG ASP A 54 15.750 1.800 4.431 1.00 0.00 C ATOM 829 OD1 ASP A 54 15.523 1.011 5.382 1.00 0.00 O ATOM 830 OD2 ASP A 54 16.869 2.350 4.286 1.00 0.00 O ATOM 0 H ASP A 54 12.025 0.698 2.587 1.00 0.00 H new ATOM 0 HA ASP A 54 13.175 0.939 4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.846 1.385 2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.774 3.072 2.990 1.00 0.00 H new ATOM 835 N THR A 55 11.442 3.169 4.966 1.00 0.00 N ATOM 836 CA THR A 55 10.832 4.263 5.755 1.00 0.00 C ATOM 837 C THR A 55 10.752 3.968 7.267 1.00 0.00 C ATOM 838 O THR A 55 10.549 4.882 8.063 1.00 0.00 O ATOM 839 CB THR A 55 9.429 4.579 5.190 1.00 0.00 C ATOM 840 OG1 THR A 55 9.474 4.659 3.776 1.00 0.00 O ATOM 841 CG2 THR A 55 8.810 5.892 5.676 1.00 0.00 C ATOM 0 H THR A 55 10.750 2.603 4.475 1.00 0.00 H new ATOM 0 HA THR A 55 11.486 5.130 5.658 1.00 0.00 H new ATOM 0 HB THR A 55 8.810 3.759 5.554 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.790 5.286 3.462 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.827 6.021 5.222 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.708 5.867 6.761 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.453 6.725 5.391 1.00 0.00 H new ATOM 849 N GLU A 56 10.927 2.702 7.677 1.00 0.00 N ATOM 850 CA GLU A 56 10.692 2.150 9.031 1.00 0.00 C ATOM 851 C GLU A 56 9.246 2.302 9.539 1.00 0.00 C ATOM 852 O GLU A 56 8.525 1.306 9.615 1.00 0.00 O ATOM 853 CB GLU A 56 11.732 2.647 10.061 1.00 0.00 C ATOM 854 CG GLU A 56 13.086 1.923 9.968 1.00 0.00 C ATOM 855 CD GLU A 56 13.135 0.605 10.774 1.00 0.00 C ATOM 856 OE1 GLU A 56 12.113 -0.118 10.863 1.00 0.00 O ATOM 857 OE2 GLU A 56 14.214 0.273 11.323 1.00 0.00 O ATOM 0 H GLU A 56 11.259 1.985 7.032 1.00 0.00 H new ATOM 0 HA GLU A 56 10.838 1.075 8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.891 3.716 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.328 2.516 11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.304 1.708 8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.871 2.589 10.327 1.00 0.00 H new ATOM 864 N THR A 57 8.797 3.517 9.869 1.00 0.00 N ATOM 865 CA THR A 57 7.450 3.811 10.399 1.00 0.00 C ATOM 866 C THR A 57 6.935 5.174 9.930 1.00 0.00 C ATOM 867 O THR A 57 7.708 6.098 9.662 1.00 0.00 O ATOM 868 CB THR A 57 7.394 3.775 11.942 1.00 0.00 C ATOM 869 OG1 THR A 57 8.154 4.828 12.500 1.00 0.00 O ATOM 870 CG2 THR A 57 7.881 2.465 12.559 1.00 0.00 C ATOM 0 H THR A 57 9.374 4.353 9.774 1.00 0.00 H new ATOM 0 HA THR A 57 6.812 3.020 10.004 1.00 0.00 H new ATOM 0 HB THR A 57 6.335 3.881 12.180 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.102 4.786 13.478 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.808 2.525 13.645 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.264 1.642 12.199 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.919 2.292 12.274 1.00 0.00 H new ATOM 878 N LEU A 58 5.607 5.329 9.878 1.00 0.00 N ATOM 879 CA LEU A 58 4.960 6.620 9.614 1.00 0.00 C ATOM 880 C LEU A 58 5.049 7.580 10.820 1.00 0.00 C ATOM 881 O LEU A 58 4.998 8.796 10.645 1.00 0.00 O ATOM 882 CB LEU A 58 3.508 6.373 9.160 1.00 0.00 C ATOM 883 CG LEU A 58 3.379 5.571 7.846 1.00 0.00 C ATOM 884 CD1 LEU A 58 1.904 5.323 7.533 1.00 0.00 C ATOM 885 CD2 LEU A 58 4.003 6.293 6.647 1.00 0.00 C ATOM 0 H LEU A 58 4.950 4.562 10.018 1.00 0.00 H new ATOM 0 HA LEU A 58 5.496 7.124 8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.979 5.841 9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.010 7.335 9.035 1.00 0.00 H new ATOM 0 HG LEU A 58 3.916 4.635 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.819 4.757 6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.450 4.757 8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.390 6.278 7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.883 5.683 5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.507 7.253 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.064 6.458 6.834 1.00 0.00 H new ATOM 897 N GLU A 59 5.284 7.063 12.033 1.00 0.00 N ATOM 898 CA GLU A 59 5.597 7.879 13.220 1.00 0.00 C ATOM 899 C GLU A 59 6.906 8.671 13.066 1.00 0.00 C ATOM 900 O GLU A 59 7.006 9.789 13.576 1.00 0.00 O ATOM 901 CB GLU A 59 5.694 7.002 14.476 1.00 0.00 C ATOM 902 CG GLU A 59 4.358 6.352 14.848 1.00 0.00 C ATOM 903 CD GLU A 59 4.393 5.772 16.277 1.00 0.00 C ATOM 904 OE1 GLU A 59 5.316 4.983 16.602 1.00 0.00 O ATOM 905 OE2 GLU A 59 3.492 6.095 17.087 1.00 0.00 O ATOM 0 H GLU A 59 5.263 6.061 12.223 1.00 0.00 H new ATOM 0 HA GLU A 59 4.778 8.591 13.322 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.439 6.223 14.314 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.043 7.609 15.312 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.559 7.090 14.773 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.127 5.559 14.137 1.00 0.00 H new ATOM 912 N SER A 60 7.884 8.150 12.312 1.00 0.00 N ATOM 913 CA SER A 60 9.127 8.866 11.980 1.00 0.00 C ATOM 914 C SER A 60 8.879 10.131 11.133 1.00 0.00 C ATOM 915 O SER A 60 9.676 11.072 11.168 1.00 0.00 O ATOM 916 CB SER A 60 10.087 7.909 11.256 1.00 0.00 C ATOM 917 OG SER A 60 11.396 8.455 11.162 1.00 0.00 O ATOM 0 H SER A 60 7.836 7.213 11.912 1.00 0.00 H new ATOM 0 HA SER A 60 9.574 9.206 12.914 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.126 6.959 11.789 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.707 7.699 10.256 1.00 0.00 H new ATOM 0 HG SER A 60 11.982 7.821 10.698 1.00 0.00 H new ATOM 923 N LEU A 61 7.758 10.178 10.398 1.00 0.00 N ATOM 924 CA LEU A 61 7.289 11.341 9.632 1.00 0.00 C ATOM 925 C LEU A 61 6.318 12.244 10.425 1.00 0.00 C ATOM 926 O LEU A 61 6.017 13.356 9.985 1.00 0.00 O ATOM 927 CB LEU A 61 6.631 10.851 8.323 1.00 0.00 C ATOM 928 CG LEU A 61 7.492 9.908 7.455 1.00 0.00 C ATOM 929 CD1 LEU A 61 6.712 9.509 6.202 1.00 0.00 C ATOM 930 CD2 LEU A 61 8.806 10.559 7.013 1.00 0.00 C ATOM 0 H LEU A 61 7.131 9.378 10.318 1.00 0.00 H new ATOM 0 HA LEU A 61 8.158 11.961 9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.703 10.338 8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.362 11.722 7.725 1.00 0.00 H new ATOM 0 HG LEU A 61 7.728 9.038 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.321 8.843 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.795 8.997 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.463 10.402 5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.375 9.855 6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.590 11.452 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.390 10.834 7.892 1.00 0.00 H new ATOM 942 N GLY A 62 5.809 11.780 11.574 1.00 0.00 N ATOM 943 CA GLY A 62 4.837 12.492 12.420 1.00 0.00 C ATOM 944 C GLY A 62 3.453 12.708 11.781 1.00 0.00 C ATOM 945 O GLY A 62 2.703 13.585 12.218 1.00 0.00 O ATOM 0 H GLY A 62 6.070 10.870 11.954 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.709 11.935 13.348 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.253 13.464 12.686 1.00 0.00 H new ATOM 949 N VAL A 63 3.128 11.964 10.717 1.00 0.00 N ATOM 950 CA VAL A 63 1.955 12.198 9.853 1.00 0.00 C ATOM 951 C VAL A 63 0.626 11.736 10.485 1.00 0.00 C ATOM 952 O VAL A 63 0.577 10.747 11.223 1.00 0.00 O ATOM 953 CB VAL A 63 2.212 11.605 8.451 1.00 0.00 C ATOM 954 CG1 VAL A 63 2.259 10.075 8.438 1.00 0.00 C ATOM 955 CG2 VAL A 63 1.186 12.087 7.421 1.00 0.00 C ATOM 0 H VAL A 63 3.685 11.162 10.422 1.00 0.00 H new ATOM 0 HA VAL A 63 1.827 13.275 9.742 1.00 0.00 H new ATOM 0 HB VAL A 63 3.199 11.973 8.173 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.443 9.725 7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.061 9.730 9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.307 9.679 8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.408 11.643 6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.186 11.788 7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.232 13.173 7.342 1.00 0.00 H new ATOM 965 N ALA A 64 -0.453 12.475 10.210 1.00 0.00 N ATOM 966 CA ALA A 64 -1.817 12.217 10.688 1.00 0.00 C ATOM 967 C ALA A 64 -2.563 11.117 9.887 1.00 0.00 C ATOM 968 O ALA A 64 -2.018 10.498 8.970 1.00 0.00 O ATOM 969 CB ALA A 64 -2.568 13.558 10.657 1.00 0.00 C ATOM 0 H ALA A 64 -0.398 13.307 9.622 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.770 11.818 11.701 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.590 13.411 11.006 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.062 14.273 11.306 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.585 13.942 9.637 1.00 0.00 H new ATOM 975 N ASP A 65 -3.830 10.869 10.232 1.00 0.00 N ATOM 976 CA ASP A 65 -4.755 9.990 9.498 1.00 0.00 C ATOM 977 C ASP A 65 -5.164 10.553 8.116 1.00 0.00 C ATOM 978 O ASP A 65 -5.007 11.746 7.832 1.00 0.00 O ATOM 979 CB ASP A 65 -6.013 9.744 10.351 1.00 0.00 C ATOM 980 CG ASP A 65 -6.803 11.027 10.669 1.00 0.00 C ATOM 981 OD1 ASP A 65 -6.281 11.900 11.405 1.00 0.00 O ATOM 982 OD2 ASP A 65 -7.963 11.150 10.209 1.00 0.00 O ATOM 0 H ASP A 65 -4.258 11.288 11.058 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.226 9.055 9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.666 9.046 9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.720 9.267 11.286 1.00 0.00 H new ATOM 987 N GLY A 66 -5.729 9.690 7.264 1.00 0.00 N ATOM 988 CA GLY A 66 -6.251 10.048 5.937 1.00 0.00 C ATOM 989 C GLY A 66 -5.248 9.902 4.783 1.00 0.00 C ATOM 990 O GLY A 66 -5.524 10.365 3.673 1.00 0.00 O ATOM 0 H GLY A 66 -5.839 8.700 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.119 9.424 5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.600 11.080 5.967 1.00 0.00 H new ATOM 994 N ASP A 67 -4.100 9.257 5.015 1.00 0.00 N ATOM 995 CA ASP A 67 -3.145 8.894 3.955 1.00 0.00 C ATOM 996 C ASP A 67 -3.770 7.925 2.940 1.00 0.00 C ATOM 997 O ASP A 67 -4.560 7.046 3.302 1.00 0.00 O ATOM 998 CB ASP A 67 -1.864 8.283 4.543 1.00 0.00 C ATOM 999 CG ASP A 67 -1.031 9.248 5.403 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -1.175 10.489 5.262 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.202 8.748 6.195 1.00 0.00 O ATOM 0 H ASP A 67 -3.803 8.969 5.947 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.884 9.815 3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.135 7.418 5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.243 7.917 3.725 1.00 0.00 H new ATOM 1006 N LYS A 68 -3.408 8.077 1.661 1.00 0.00 N ATOM 1007 CA LYS A 68 -3.995 7.325 0.544 1.00 0.00 C ATOM 1008 C LYS A 68 -2.934 6.644 -0.314 1.00 0.00 C ATOM 1009 O LYS A 68 -1.927 7.258 -0.678 1.00 0.00 O ATOM 1010 CB LYS A 68 -4.970 8.220 -0.243 1.00 0.00 C ATOM 1011 CG LYS A 68 -4.291 9.391 -0.980 1.00 0.00 C ATOM 1012 CD LYS A 68 -5.287 10.472 -1.422 1.00 0.00 C ATOM 1013 CE LYS A 68 -5.806 11.278 -0.220 1.00 0.00 C ATOM 1014 NZ LYS A 68 -6.714 12.376 -0.644 1.00 0.00 N ATOM 0 H LYS A 68 -2.687 8.736 1.367 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.585 6.500 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.503 7.607 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.715 8.620 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.541 9.839 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.765 9.008 -1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.806 11.144 -2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.126 10.007 -1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.334 10.613 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.962 11.695 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.044 12.897 0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.203 13.025 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.532 11.976 -1.147 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.156 5.367 -0.614 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.193 4.482 -1.278 1.00 0.00 C ATOM 1030 C PHE A 69 -2.828 3.863 -2.530 1.00 0.00 C ATOM 1031 O PHE A 69 -3.943 3.352 -2.448 1.00 0.00 O ATOM 1032 CB PHE A 69 -1.724 3.374 -0.314 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.313 3.759 1.101 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -0.585 4.937 1.356 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -1.604 2.889 2.171 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -0.174 5.256 2.662 1.00 0.00 C ATOM 1037 CE2 PHE A 69 -1.182 3.201 3.476 1.00 0.00 C ATOM 1038 CZ PHE A 69 -0.475 4.389 3.725 1.00 0.00 C ATOM 0 H PHE A 69 -4.037 4.902 -0.396 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.325 5.070 -1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.528 2.642 -0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.877 2.869 -0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.340 5.602 0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.154 1.978 1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.373 6.168 2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.402 2.525 4.289 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.164 4.635 4.730 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.142 3.871 -3.676 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.660 3.300 -4.935 1.00 0.00 C ATOM 1050 C VAL A 70 -1.888 2.038 -5.327 1.00 0.00 C ATOM 1051 O VAL A 70 -0.667 2.069 -5.499 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.759 4.364 -6.049 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -1.425 5.019 -6.419 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.376 3.792 -7.331 1.00 0.00 C ATOM 0 H VAL A 70 -1.209 4.273 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.687 2.974 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.403 5.131 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.587 5.753 -7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.008 5.515 -5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.730 4.256 -6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.428 4.573 -8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.759 2.971 -7.697 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.380 3.425 -7.119 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.610 0.918 -5.442 1.00 0.00 N ATOM 1065 CA LEU A 71 -2.079 -0.385 -5.853 1.00 0.00 C ATOM 1066 C LEU A 71 -2.380 -0.604 -7.342 1.00 0.00 C ATOM 1067 O LEU A 71 -3.549 -0.602 -7.737 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.698 -1.492 -4.973 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.897 -2.808 -4.982 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -1.133 -2.959 -3.670 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -2.816 -4.024 -5.111 1.00 0.00 C ATOM 0 H LEU A 71 -3.611 0.893 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.998 -0.418 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.774 -1.130 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.713 -1.692 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.220 -2.765 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.569 -3.891 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.446 -2.121 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.837 -2.973 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.217 -4.934 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.508 -4.048 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.379 -3.957 -6.042 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.352 -0.802 -8.167 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.475 -0.978 -9.623 1.00 0.00 C ATOM 1085 C ILE A 72 -0.928 -2.340 -10.061 1.00 0.00 C ATOM 1086 O ILE A 72 0.175 -2.733 -9.680 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.873 0.225 -10.391 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -1.125 0.068 -11.908 1.00 0.00 C ATOM 1089 CG2 ILE A 72 0.624 0.435 -10.101 1.00 0.00 C ATOM 1090 CD1 ILE A 72 -0.818 1.330 -12.727 1.00 0.00 C ATOM 0 H ILE A 72 -0.387 -0.846 -7.839 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.532 -0.987 -9.888 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.381 1.120 -10.032 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.515 -0.754 -12.284 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.167 -0.210 -12.066 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.988 1.292 -10.668 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.766 0.618 -9.036 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.180 -0.456 -10.394 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.020 1.138 -13.781 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.446 2.150 -12.380 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.231 1.599 -12.602 1.00 0.00 H new ATOM 1102 N THR A 73 -1.718 -3.057 -10.864 1.00 0.00 N ATOM 1103 CA THR A 73 -1.424 -4.393 -11.411 1.00 0.00 C ATOM 1104 C THR A 73 -1.279 -4.352 -12.937 1.00 0.00 C ATOM 1105 O THR A 73 -1.903 -3.523 -13.610 1.00 0.00 O ATOM 1106 CB THR A 73 -2.491 -5.415 -10.968 1.00 0.00 C ATOM 1107 OG1 THR A 73 -2.229 -6.681 -11.533 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.921 -5.049 -11.380 1.00 0.00 C ATOM 0 H THR A 73 -2.627 -2.708 -11.168 1.00 0.00 H new ATOM 0 HA THR A 73 -0.466 -4.719 -11.006 1.00 0.00 H new ATOM 0 HB THR A 73 -2.428 -5.420 -9.880 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.914 -7.318 -11.241 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.609 -5.819 -11.030 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.193 -4.091 -10.937 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.980 -4.977 -12.466 1.00 0.00 H new ATOM 1116 N ARG A 74 -0.468 -5.260 -13.490 1.00 0.00 N ATOM 1117 CA ARG A 74 -0.289 -5.502 -14.930 1.00 0.00 C ATOM 1118 C ARG A 74 -0.551 -6.978 -15.249 1.00 0.00 C ATOM 1119 O ARG A 74 0.058 -7.865 -14.649 1.00 0.00 O ATOM 1120 CB ARG A 74 1.124 -5.049 -15.342 1.00 0.00 C ATOM 1121 CG ARG A 74 1.347 -5.143 -16.859 1.00 0.00 C ATOM 1122 CD ARG A 74 2.742 -4.637 -17.235 1.00 0.00 C ATOM 1123 NE ARG A 74 2.958 -4.700 -18.694 1.00 0.00 N ATOM 1124 CZ ARG A 74 4.046 -4.331 -19.347 1.00 0.00 C ATOM 1125 NH1 ARG A 74 5.098 -3.862 -18.736 1.00 0.00 N ATOM 1126 NH2 ARG A 74 4.098 -4.426 -20.645 1.00 0.00 N ATOM 0 H ARG A 74 0.110 -5.877 -12.920 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.008 -4.922 -15.509 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.283 -4.021 -15.017 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.864 -5.664 -14.829 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.230 -6.176 -17.185 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.590 -4.557 -17.380 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.864 -3.610 -16.891 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.498 -5.236 -16.727 1.00 0.00 H new ATOM 0 HE ARG A 74 2.189 -5.066 -19.255 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.099 -3.770 -17.720 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.920 -3.587 -19.274 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.296 -4.787 -21.162 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.940 -4.140 -21.144 1.00 0.00 H new ATOM 1140 N THR A 75 -1.447 -7.240 -16.200 1.00 0.00 N ATOM 1141 CA THR A 75 -1.767 -8.594 -16.687 1.00 0.00 C ATOM 1142 C THR A 75 -0.630 -9.174 -17.541 1.00 0.00 C ATOM 1143 O THR A 75 0.054 -8.450 -18.271 1.00 0.00 O ATOM 1144 CB THR A 75 -3.094 -8.614 -17.468 1.00 0.00 C ATOM 1145 OG1 THR A 75 -3.086 -7.663 -18.514 1.00 0.00 O ATOM 1146 CG2 THR A 75 -4.290 -8.307 -16.562 1.00 0.00 C ATOM 0 H THR A 75 -1.984 -6.509 -16.666 1.00 0.00 H new ATOM 0 HA THR A 75 -1.882 -9.228 -15.807 1.00 0.00 H new ATOM 0 HB THR A 75 -3.192 -9.620 -17.875 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.939 -7.698 -18.995 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.207 -8.331 -17.150 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.347 -9.054 -15.770 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.167 -7.318 -16.120 1.00 0.00 H new ATOM 1154 N VAL A 76 -0.419 -10.493 -17.440 1.00 0.00 N ATOM 1155 CA VAL A 76 0.670 -11.232 -18.123 1.00 0.00 C ATOM 1156 C VAL A 76 0.175 -12.555 -18.737 1.00 0.00 C ATOM 1157 O VAL A 76 0.563 -12.892 -19.858 1.00 0.00 O ATOM 1158 CB VAL A 76 1.856 -11.478 -17.159 1.00 0.00 C ATOM 1159 CG1 VAL A 76 3.018 -12.217 -17.838 1.00 0.00 C ATOM 1160 CG2 VAL A 76 2.428 -10.170 -16.590 1.00 0.00 C ATOM 0 H VAL A 76 -1.011 -11.097 -16.869 1.00 0.00 H new ATOM 0 HA VAL A 76 1.018 -10.608 -18.946 1.00 0.00 H new ATOM 0 HB VAL A 76 1.438 -12.088 -16.358 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.824 -12.365 -17.120 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.672 -13.185 -18.199 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.384 -11.626 -18.678 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.257 -10.397 -15.920 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.783 -9.542 -17.407 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.650 -9.642 -16.039 1.00 0.00 H new ATOM 1170 N GLY A 77 -0.715 -13.279 -18.040 1.00 0.00 N ATOM 1171 CA GLY A 77 -1.271 -14.577 -18.461 1.00 0.00 C ATOM 1172 C GLY A 77 -0.289 -15.740 -18.293 1.00 0.00 C ATOM 1173 O GLY A 77 -0.061 -16.475 -19.280 1.00 0.00 O ATOM 1174 OXT GLY A 77 0.226 -15.926 -17.169 1.00 0.00 O ATOM 0 H GLY A 77 -1.080 -12.968 -17.139 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.171 -14.784 -17.882 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.572 -14.513 -19.507 1.00 0.00 H new TER 1178 GLY A 77