USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 627 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 Single : A 1 GLY N :NH3+ -137:sc= 0.00848 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= -0.0384 (180deg=-0.756) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 136:sc= -2.32! USER MOD Single : A 22 SER OG : rot -13:sc= -0.0556 USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 0.055 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 82:sc= 0.0148 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.87 USER MOD Single : A 32 ASN : amide:sc= -1.41! C(o=-1.4!,f=-1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 150:sc= -0.611 (180deg=-1.69) USER MOD Single : A 49 ASN : amide:sc= -0.0192 K(o=-0.019,f=-1.3!) USER MOD Single : A 50 ASN : amide:sc= 0.261 K(o=0.26,f=-0.38) USER MOD Single : A 52 ASN : amide:sc= -2.13 K(o=-2.1,f=-12!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.017) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 75:sc= 1.16 USER MOD Single : A 62 LYS NZ :NH3+ -124:sc= -0.462 (180deg=-0.666) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.014 USER MOD Single : A 80 LYS NZ :NH3+ 161:sc= -0.0113 (180deg=-0.166) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.194 2.338 15.931 1.00 0.00 N ATOM 2 CA GLY A 1 8.430 1.105 15.919 1.00 0.00 C ATOM 3 C GLY A 1 9.152 -0.032 16.615 1.00 0.00 C ATOM 4 O GLY A 1 9.825 0.177 17.625 1.00 0.00 O ATOM 0 H1 GLY A 1 8.564 3.135 16.154 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.942 2.276 16.651 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.625 2.489 14.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.469 1.272 16.405 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.221 0.821 14.888 1.00 0.00 H new ATOM 8 N SER A 2 9.013 -1.238 16.076 1.00 0.00 N ATOM 9 CA SER A 2 9.653 -2.414 16.655 1.00 0.00 C ATOM 10 C SER A 2 11.144 -2.434 16.333 1.00 0.00 C ATOM 11 O SER A 2 11.546 -2.232 15.187 1.00 0.00 O ATOM 12 CB SER A 2 8.990 -3.690 16.134 1.00 0.00 C ATOM 13 OG SER A 2 7.631 -3.757 16.529 1.00 0.00 O ATOM 0 H SER A 2 8.463 -1.427 15.238 1.00 0.00 H new ATOM 0 HA SER A 2 9.533 -2.367 17.737 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.058 -3.721 15.047 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.525 -4.562 16.511 1.00 0.00 H new ATOM 0 HG SER A 2 7.230 -4.581 16.182 1.00 0.00 H new ATOM 19 N SER A 3 11.960 -2.678 17.354 1.00 0.00 N ATOM 20 CA SER A 3 13.408 -2.721 17.182 1.00 0.00 C ATOM 21 C SER A 3 13.915 -4.160 17.204 1.00 0.00 C ATOM 22 O SER A 3 14.731 -4.556 16.373 1.00 0.00 O ATOM 23 CB SER A 3 14.097 -1.908 18.279 1.00 0.00 C ATOM 24 OG SER A 3 13.699 -0.549 18.232 1.00 0.00 O ATOM 0 H SER A 3 11.643 -2.849 18.308 1.00 0.00 H new ATOM 0 HA SER A 3 13.648 -2.285 16.212 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.853 -2.328 19.255 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.179 -1.978 18.163 1.00 0.00 H new ATOM 0 HG SER A 3 14.152 -0.051 18.944 1.00 0.00 H new ATOM 30 N GLY A 4 13.425 -4.939 18.165 1.00 0.00 N ATOM 31 CA GLY A 4 13.839 -6.325 18.279 1.00 0.00 C ATOM 32 C GLY A 4 12.853 -7.280 17.636 1.00 0.00 C ATOM 33 O GLY A 4 11.957 -6.858 16.906 1.00 0.00 O ATOM 0 H GLY A 4 12.749 -4.634 18.866 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.816 -6.448 17.813 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.954 -6.581 19.332 1.00 0.00 H new ATOM 37 N SER A 5 13.019 -8.570 17.907 1.00 0.00 N ATOM 38 CA SER A 5 12.139 -9.589 17.346 1.00 0.00 C ATOM 39 C SER A 5 10.699 -9.089 17.286 1.00 0.00 C ATOM 40 O SER A 5 10.176 -8.552 18.262 1.00 0.00 O ATOM 41 CB SER A 5 12.212 -10.871 18.177 1.00 0.00 C ATOM 42 OG SER A 5 11.605 -11.956 17.496 1.00 0.00 O ATOM 0 H SER A 5 13.755 -8.935 18.512 1.00 0.00 H new ATOM 0 HA SER A 5 12.474 -9.804 16.331 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.254 -11.110 18.392 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.716 -10.716 19.135 1.00 0.00 H new ATOM 0 HG SER A 5 11.666 -12.764 18.047 1.00 0.00 H new ATOM 48 N SER A 6 10.064 -9.271 16.132 1.00 0.00 N ATOM 49 CA SER A 6 8.685 -8.836 15.942 1.00 0.00 C ATOM 50 C SER A 6 7.709 -9.847 16.536 1.00 0.00 C ATOM 51 O SER A 6 6.963 -9.536 17.463 1.00 0.00 O ATOM 52 CB SER A 6 8.391 -8.639 14.453 1.00 0.00 C ATOM 53 OG SER A 6 8.780 -7.346 14.023 1.00 0.00 O ATOM 0 H SER A 6 10.482 -9.716 15.315 1.00 0.00 H new ATOM 0 HA SER A 6 8.555 -7.886 16.460 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.921 -9.394 13.872 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.327 -8.783 14.267 1.00 0.00 H new ATOM 0 HG SER A 6 8.583 -7.246 13.068 1.00 0.00 H new ATOM 59 N GLY A 7 7.722 -11.061 15.993 1.00 0.00 N ATOM 60 CA GLY A 7 6.834 -12.100 16.481 1.00 0.00 C ATOM 61 C GLY A 7 5.970 -12.688 15.382 1.00 0.00 C ATOM 62 O GLY A 7 5.151 -11.989 14.788 1.00 0.00 O ATOM 0 H GLY A 7 8.331 -11.343 15.225 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.425 -12.894 16.938 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.194 -11.689 17.262 1.00 0.00 H new ATOM 66 N ASN A 8 6.155 -13.976 15.111 1.00 0.00 N ATOM 67 CA ASN A 8 5.387 -14.656 14.075 1.00 0.00 C ATOM 68 C ASN A 8 3.899 -14.652 14.409 1.00 0.00 C ATOM 69 O ASN A 8 3.416 -15.508 15.151 1.00 0.00 O ATOM 70 CB ASN A 8 5.880 -16.095 13.908 1.00 0.00 C ATOM 71 CG ASN A 8 6.990 -16.211 12.881 1.00 0.00 C ATOM 72 OD1 ASN A 8 8.027 -15.557 12.995 1.00 0.00 O ATOM 73 ND2 ASN A 8 6.776 -17.046 11.871 1.00 0.00 N ATOM 0 H ASN A 8 6.830 -14.569 15.594 1.00 0.00 H new ATOM 0 HA ASN A 8 5.532 -14.118 13.138 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.237 -16.468 14.868 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.045 -16.730 13.610 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.486 -17.166 11.149 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.901 -17.568 11.817 1.00 0.00 H new ATOM 80 N ALA A 9 3.176 -13.683 13.857 1.00 0.00 N ATOM 81 CA ALA A 9 1.743 -13.569 14.094 1.00 0.00 C ATOM 82 C ALA A 9 1.094 -12.620 13.091 1.00 0.00 C ATOM 83 O ALA A 9 1.760 -11.809 12.447 1.00 0.00 O ATOM 84 CB ALA A 9 1.479 -13.098 15.516 1.00 0.00 C ATOM 0 H ALA A 9 3.560 -12.965 13.242 1.00 0.00 H new ATOM 0 HA ALA A 9 1.298 -14.555 13.961 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.404 -13.017 15.679 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.900 -13.815 16.221 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.943 -12.124 15.669 1.00 0.00 H new ATOM 90 N PRO A 10 -0.236 -12.722 12.953 1.00 0.00 N ATOM 91 CA PRO A 10 -1.003 -11.881 12.030 1.00 0.00 C ATOM 92 C PRO A 10 -1.064 -10.427 12.486 1.00 0.00 C ATOM 93 O PRO A 10 -1.145 -10.142 13.681 1.00 0.00 O ATOM 94 CB PRO A 10 -2.399 -12.508 12.056 1.00 0.00 C ATOM 95 CG PRO A 10 -2.485 -13.188 13.379 1.00 0.00 C ATOM 96 CD PRO A 10 -1.094 -13.667 13.689 1.00 0.00 C ATOM 0 HA PRO A 10 -0.553 -11.849 11.038 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.175 -11.750 11.949 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.530 -13.216 11.238 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.842 -12.503 14.148 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.186 -14.022 13.345 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.890 -13.645 14.760 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.939 -14.693 13.356 1.00 0.00 H new ATOM 104 N LYS A 11 -1.024 -9.509 11.526 1.00 0.00 N ATOM 105 CA LYS A 11 -1.076 -8.083 11.827 1.00 0.00 C ATOM 106 C LYS A 11 -2.459 -7.514 11.526 1.00 0.00 C ATOM 107 O LYS A 11 -3.226 -8.095 10.758 1.00 0.00 O ATOM 108 CB LYS A 11 -0.016 -7.331 11.019 1.00 0.00 C ATOM 109 CG LYS A 11 1.408 -7.743 11.351 1.00 0.00 C ATOM 110 CD LYS A 11 2.384 -6.599 11.134 1.00 0.00 C ATOM 111 CE LYS A 11 2.789 -6.482 9.672 1.00 0.00 C ATOM 112 NZ LYS A 11 1.755 -5.778 8.864 1.00 0.00 N ATOM 0 H LYS A 11 -0.956 -9.727 10.532 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.873 -7.954 12.890 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.195 -7.498 9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.127 -6.261 11.197 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.459 -8.075 12.388 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.696 -8.591 10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.930 -5.664 11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.272 -6.755 11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.735 -5.945 9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.956 -7.478 9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.208 -5.304 8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.059 -6.467 8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.274 -5.070 9.456 1.00 0.00 H new ATOM 126 N ARG A 12 -2.769 -6.374 12.135 1.00 0.00 N ATOM 127 CA ARG A 12 -4.059 -5.726 11.932 1.00 0.00 C ATOM 128 C ARG A 12 -4.229 -5.297 10.477 1.00 0.00 C ATOM 129 O ARG A 12 -3.295 -4.823 9.831 1.00 0.00 O ATOM 130 CB ARG A 12 -4.195 -4.512 12.852 1.00 0.00 C ATOM 131 CG ARG A 12 -4.667 -4.859 14.254 1.00 0.00 C ATOM 132 CD ARG A 12 -4.960 -3.610 15.069 1.00 0.00 C ATOM 133 NE ARG A 12 -3.774 -3.119 15.765 1.00 0.00 N ATOM 134 CZ ARG A 12 -3.206 -3.751 16.786 1.00 0.00 C ATOM 135 NH1 ARG A 12 -3.714 -4.894 17.227 1.00 0.00 N ATOM 136 NH2 ARG A 12 -2.128 -3.242 17.367 1.00 0.00 N ATOM 0 H ARG A 12 -2.145 -5.880 12.773 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.841 -6.446 12.175 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.231 -4.007 12.917 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.896 -3.806 12.406 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.564 -5.475 14.195 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.905 -5.453 14.759 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.343 -2.830 14.411 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.743 -3.827 15.796 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.359 -2.242 15.450 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.542 -5.289 16.782 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.276 -5.378 18.011 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.734 -2.364 17.030 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.693 -3.729 18.151 1.00 0.00 H new ATOM 150 N PRO A 13 -5.450 -5.468 9.949 1.00 0.00 N ATOM 151 CA PRO A 13 -5.771 -5.105 8.565 1.00 0.00 C ATOM 152 C PRO A 13 -5.781 -3.596 8.349 1.00 0.00 C ATOM 153 O PRO A 13 -6.110 -2.818 9.246 1.00 0.00 O ATOM 154 CB PRO A 13 -7.174 -5.683 8.363 1.00 0.00 C ATOM 155 CG PRO A 13 -7.759 -5.745 9.732 1.00 0.00 C ATOM 156 CD PRO A 13 -6.611 -6.028 10.661 1.00 0.00 C ATOM 0 HA PRO A 13 -5.032 -5.488 7.861 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.771 -5.051 7.705 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.133 -6.671 7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.248 -4.806 9.990 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.516 -6.527 9.798 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.754 -5.554 11.632 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.494 -7.097 10.842 1.00 0.00 H new ATOM 164 N PRO A 14 -5.413 -3.169 7.132 1.00 0.00 N ATOM 165 CA PRO A 14 -5.373 -1.749 6.770 1.00 0.00 C ATOM 166 C PRO A 14 -6.766 -1.136 6.671 1.00 0.00 C ATOM 167 O PRO A 14 -7.751 -1.842 6.457 1.00 0.00 O ATOM 168 CB PRO A 14 -4.692 -1.751 5.399 1.00 0.00 C ATOM 169 CG PRO A 14 -4.973 -3.103 4.839 1.00 0.00 C ATOM 170 CD PRO A 14 -5.009 -4.039 6.015 1.00 0.00 C ATOM 0 HA PRO A 14 -4.852 -1.153 7.519 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.092 -0.966 4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.620 -1.575 5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.922 -3.114 4.303 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.202 -3.399 4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.720 -4.851 5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.036 -4.497 6.194 1.00 0.00 H new ATOM 178 N SER A 15 -6.840 0.182 6.828 1.00 0.00 N ATOM 179 CA SER A 15 -8.113 0.890 6.760 1.00 0.00 C ATOM 180 C SER A 15 -8.194 1.742 5.497 1.00 0.00 C ATOM 181 O SER A 15 -7.174 2.103 4.912 1.00 0.00 O ATOM 182 CB SER A 15 -8.297 1.772 7.997 1.00 0.00 C ATOM 183 OG SER A 15 -8.943 1.061 9.038 1.00 0.00 O ATOM 0 H SER A 15 -6.033 0.781 7.003 1.00 0.00 H new ATOM 0 HA SER A 15 -8.912 0.149 6.729 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.326 2.126 8.343 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.883 2.653 7.736 1.00 0.00 H new ATOM 0 HG SER A 15 -9.047 1.646 9.818 1.00 0.00 H new ATOM 189 N GLY A 16 -9.417 2.059 5.082 1.00 0.00 N ATOM 190 CA GLY A 16 -9.610 2.866 3.892 1.00 0.00 C ATOM 191 C GLY A 16 -8.693 4.072 3.854 1.00 0.00 C ATOM 192 O GLY A 16 -8.304 4.532 2.780 1.00 0.00 O ATOM 0 H GLY A 16 -10.277 1.771 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.435 2.252 3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.647 3.200 3.848 1.00 0.00 H new ATOM 196 N PHE A 17 -8.348 4.589 5.029 1.00 0.00 N ATOM 197 CA PHE A 17 -7.473 5.751 5.125 1.00 0.00 C ATOM 198 C PHE A 17 -6.024 5.367 4.837 1.00 0.00 C ATOM 199 O PHE A 17 -5.297 6.102 4.168 1.00 0.00 O ATOM 200 CB PHE A 17 -7.578 6.381 6.516 1.00 0.00 C ATOM 201 CG PHE A 17 -6.395 7.231 6.880 1.00 0.00 C ATOM 202 CD1 PHE A 17 -6.045 8.324 6.105 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.631 6.936 7.998 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.957 9.109 6.438 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.542 7.717 8.336 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.204 8.804 7.554 1.00 0.00 C ATOM 0 H PHE A 17 -8.661 4.221 5.927 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.793 6.478 4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.481 6.990 6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.688 5.589 7.257 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.629 8.566 5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.890 6.086 8.612 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.696 9.960 5.826 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.956 7.477 9.211 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.352 9.414 7.815 1.00 0.00 H new ATOM 216 N PHE A 18 -5.612 4.211 5.347 1.00 0.00 N ATOM 217 CA PHE A 18 -4.250 3.730 5.146 1.00 0.00 C ATOM 218 C PHE A 18 -4.009 3.377 3.681 1.00 0.00 C ATOM 219 O PHE A 18 -3.122 3.936 3.034 1.00 0.00 O ATOM 220 CB PHE A 18 -3.984 2.507 6.027 1.00 0.00 C ATOM 221 CG PHE A 18 -2.559 2.036 5.983 1.00 0.00 C ATOM 222 CD1 PHE A 18 -2.034 1.480 4.828 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.744 2.147 7.098 1.00 0.00 C ATOM 224 CE1 PHE A 18 -0.723 1.045 4.784 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.432 1.715 7.060 1.00 0.00 C ATOM 226 CZ PHE A 18 0.079 1.162 5.902 1.00 0.00 C ATOM 0 H PHE A 18 -6.201 3.590 5.902 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.563 4.529 5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.247 2.747 7.057 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.637 1.693 5.712 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.657 1.385 3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.139 2.576 8.007 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.326 0.614 3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.194 1.810 7.935 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.104 0.822 5.871 1.00 0.00 H new ATOM 236 N LEU A 19 -4.803 2.446 3.164 1.00 0.00 N ATOM 237 CA LEU A 19 -4.676 2.017 1.776 1.00 0.00 C ATOM 238 C LEU A 19 -4.528 3.218 0.847 1.00 0.00 C ATOM 239 O LEU A 19 -3.572 3.306 0.076 1.00 0.00 O ATOM 240 CB LEU A 19 -5.892 1.186 1.365 1.00 0.00 C ATOM 241 CG LEU A 19 -6.228 -0.003 2.266 1.00 0.00 C ATOM 242 CD1 LEU A 19 -7.662 -0.457 2.038 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.258 -1.149 2.020 1.00 0.00 C ATOM 0 H LEU A 19 -5.542 1.974 3.685 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.779 1.403 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.760 1.844 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.728 0.815 0.353 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.130 0.313 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.883 -1.304 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.344 0.363 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.788 -0.755 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.512 -1.987 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.324 -1.464 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.242 -0.818 2.235 1.00 0.00 H new ATOM 255 N PHE A 20 -5.481 4.141 0.926 1.00 0.00 N ATOM 256 CA PHE A 20 -5.457 5.338 0.093 1.00 0.00 C ATOM 257 C PHE A 20 -4.166 6.123 0.305 1.00 0.00 C ATOM 258 O PHE A 20 -3.579 6.643 -0.645 1.00 0.00 O ATOM 259 CB PHE A 20 -6.664 6.225 0.403 1.00 0.00 C ATOM 260 CG PHE A 20 -6.422 7.682 0.130 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.379 8.159 -1.171 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.239 8.576 1.173 1.00 0.00 C ATOM 263 CE1 PHE A 20 -6.156 9.499 -1.425 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.017 9.917 0.924 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.976 10.379 -0.376 1.00 0.00 C ATOM 0 H PHE A 20 -6.279 4.083 1.558 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.503 5.025 -0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.514 5.889 -0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.937 6.100 1.451 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.521 7.476 -1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.270 8.220 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.123 9.858 -2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.876 10.603 1.746 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.803 11.427 -0.573 1.00 0.00 H new ATOM 275 N CYS A 21 -3.730 6.204 1.557 1.00 0.00 N ATOM 276 CA CYS A 21 -2.509 6.926 1.896 1.00 0.00 C ATOM 277 C CYS A 21 -1.274 6.124 1.498 1.00 0.00 C ATOM 278 O CYS A 21 -0.184 6.677 1.348 1.00 0.00 O ATOM 279 CB CYS A 21 -2.471 7.232 3.394 1.00 0.00 C ATOM 280 SG CYS A 21 -3.549 8.594 3.896 1.00 0.00 S ATOM 0 H CYS A 21 -4.204 5.779 2.354 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.506 7.864 1.341 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.756 6.335 3.945 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.446 7.469 3.680 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.180 8.269 4.985 1.00 0.00 H new ATOM 286 N SER A 22 -1.452 4.818 1.329 1.00 0.00 N ATOM 287 CA SER A 22 -0.351 3.939 0.954 1.00 0.00 C ATOM 288 C SER A 22 -0.200 3.875 -0.563 1.00 0.00 C ATOM 289 O SER A 22 0.883 3.601 -1.078 1.00 0.00 O ATOM 290 CB SER A 22 -0.579 2.533 1.515 1.00 0.00 C ATOM 291 OG SER A 22 -1.737 1.941 0.951 1.00 0.00 O ATOM 0 H SER A 22 -2.348 4.345 1.446 1.00 0.00 H new ATOM 0 HA SER A 22 0.567 4.347 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.290 1.909 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.683 2.583 2.599 1.00 0.00 H new ATOM 0 HG SER A 22 -2.264 2.627 0.490 1.00 0.00 H new ATOM 297 N GLU A 23 -1.296 4.129 -1.272 1.00 0.00 N ATOM 298 CA GLU A 23 -1.285 4.100 -2.730 1.00 0.00 C ATOM 299 C GLU A 23 -0.892 5.460 -3.298 1.00 0.00 C ATOM 300 O GLU A 23 -0.333 5.550 -4.392 1.00 0.00 O ATOM 301 CB GLU A 23 -2.659 3.690 -3.263 1.00 0.00 C ATOM 302 CG GLU A 23 -2.731 3.634 -4.780 1.00 0.00 C ATOM 303 CD GLU A 23 -2.353 2.273 -5.332 1.00 0.00 C ATOM 304 OE1 GLU A 23 -3.217 1.372 -5.334 1.00 0.00 O ATOM 305 OE2 GLU A 23 -1.192 2.111 -5.763 1.00 0.00 O ATOM 0 H GLU A 23 -2.201 4.357 -0.861 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.545 3.366 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.919 2.712 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.406 4.395 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.742 3.884 -5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.067 4.389 -5.200 1.00 0.00 H new ATOM 312 N PHE A 24 -1.187 6.516 -2.548 1.00 0.00 N ATOM 313 CA PHE A 24 -0.866 7.873 -2.977 1.00 0.00 C ATOM 314 C PHE A 24 0.524 8.280 -2.497 1.00 0.00 C ATOM 315 O PHE A 24 1.124 9.217 -3.024 1.00 0.00 O ATOM 316 CB PHE A 24 -1.910 8.858 -2.449 1.00 0.00 C ATOM 317 CG PHE A 24 -3.070 9.060 -3.381 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.919 8.009 -3.690 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.313 10.301 -3.948 1.00 0.00 C ATOM 320 CE1 PHE A 24 -4.987 8.192 -4.548 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.379 10.490 -4.806 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.218 9.435 -5.106 1.00 0.00 C ATOM 0 H PHE A 24 -1.648 6.459 -1.640 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.876 7.895 -4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.283 8.500 -1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.430 9.819 -2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.744 7.036 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.661 11.130 -3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.640 7.364 -4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.556 11.462 -5.242 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.053 9.581 -5.775 1.00 0.00 H new ATOM 332 N ARG A 25 1.028 7.570 -1.494 1.00 0.00 N ATOM 333 CA ARG A 25 2.346 7.858 -0.941 1.00 0.00 C ATOM 334 C ARG A 25 3.398 7.920 -2.045 1.00 0.00 C ATOM 335 O ARG A 25 4.236 8.821 -2.089 1.00 0.00 O ATOM 336 CB ARG A 25 2.734 6.795 0.089 1.00 0.00 C ATOM 337 CG ARG A 25 3.605 7.328 1.215 1.00 0.00 C ATOM 338 CD ARG A 25 3.810 6.284 2.302 1.00 0.00 C ATOM 339 NE ARG A 25 4.503 5.100 1.800 1.00 0.00 N ATOM 340 CZ ARG A 25 4.457 3.914 2.395 1.00 0.00 C ATOM 341 NH1 ARG A 25 3.753 3.753 3.507 1.00 0.00 N ATOM 342 NH2 ARG A 25 5.115 2.884 1.877 1.00 0.00 N ATOM 0 H ARG A 25 0.544 6.791 -1.047 1.00 0.00 H new ATOM 0 HA ARG A 25 2.302 8.830 -0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.827 6.365 0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.263 5.987 -0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.572 7.633 0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.143 8.217 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.383 6.720 3.120 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.843 5.992 2.711 1.00 0.00 H new ATOM 0 HE ARG A 25 5.052 5.189 0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.245 4.542 3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.720 2.841 3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.657 3.003 1.021 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.079 1.973 2.335 1.00 0.00 H new ATOM 356 N PRO A 26 3.354 6.939 -2.959 1.00 0.00 N ATOM 357 CA PRO A 26 4.296 6.860 -4.080 1.00 0.00 C ATOM 358 C PRO A 26 4.443 8.191 -4.809 1.00 0.00 C ATOM 359 O PRO A 26 5.553 8.694 -4.985 1.00 0.00 O ATOM 360 CB PRO A 26 3.663 5.813 -5.001 1.00 0.00 C ATOM 361 CG PRO A 26 2.841 4.960 -4.097 1.00 0.00 C ATOM 362 CD PRO A 26 2.383 5.833 -2.969 1.00 0.00 C ATOM 0 HA PRO A 26 5.303 6.605 -3.749 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.049 6.282 -5.770 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.424 5.226 -5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.988 4.541 -4.632 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.426 4.120 -3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.368 6.195 -3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.382 5.294 -2.022 1.00 0.00 H new ATOM 370 N LYS A 27 3.318 8.757 -5.230 1.00 0.00 N ATOM 371 CA LYS A 27 3.321 10.032 -5.939 1.00 0.00 C ATOM 372 C LYS A 27 4.031 11.106 -5.122 1.00 0.00 C ATOM 373 O LYS A 27 4.960 11.754 -5.607 1.00 0.00 O ATOM 374 CB LYS A 27 1.887 10.472 -6.243 1.00 0.00 C ATOM 375 CG LYS A 27 1.107 9.471 -7.077 1.00 0.00 C ATOM 376 CD LYS A 27 -0.391 9.616 -6.866 1.00 0.00 C ATOM 377 CE LYS A 27 -1.161 8.496 -7.549 1.00 0.00 C ATOM 378 NZ LYS A 27 -2.611 8.534 -7.210 1.00 0.00 N ATOM 0 H LYS A 27 2.391 8.353 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 27 3.860 9.898 -6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.360 10.638 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.913 11.427 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.342 9.613 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.416 8.459 -6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.611 9.612 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.723 10.578 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.038 8.577 -8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.743 7.534 -7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.924 7.586 -6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.768 9.205 -6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.154 8.838 -8.043 1.00 0.00 H new ATOM 392 N ILE A 28 3.591 11.289 -3.882 1.00 0.00 N ATOM 393 CA ILE A 28 4.187 12.284 -2.999 1.00 0.00 C ATOM 394 C ILE A 28 5.704 12.137 -2.951 1.00 0.00 C ATOM 395 O ILE A 28 6.437 13.122 -3.043 1.00 0.00 O ATOM 396 CB ILE A 28 3.627 12.174 -1.569 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.098 12.236 -1.590 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.195 13.280 -0.691 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.472 12.203 -0.213 1.00 0.00 C ATOM 0 H ILE A 28 2.824 10.761 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 28 3.931 13.262 -3.407 1.00 0.00 H new ATOM 0 HB ILE A 28 3.927 11.214 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.787 13.148 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.717 11.398 -2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.790 13.189 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.281 13.194 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.922 14.250 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.387 12.250 -0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.753 11.279 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.824 13.056 0.367 1.00 0.00 H new ATOM 411 N LYS A 29 6.169 10.901 -2.809 1.00 0.00 N ATOM 412 CA LYS A 29 7.599 10.623 -2.753 1.00 0.00 C ATOM 413 C LYS A 29 8.262 10.903 -4.098 1.00 0.00 C ATOM 414 O LYS A 29 9.485 11.007 -4.188 1.00 0.00 O ATOM 415 CB LYS A 29 7.841 9.167 -2.346 1.00 0.00 C ATOM 416 CG LYS A 29 7.495 8.875 -0.897 1.00 0.00 C ATOM 417 CD LYS A 29 8.140 7.585 -0.418 1.00 0.00 C ATOM 418 CE LYS A 29 9.546 7.828 0.108 1.00 0.00 C ATOM 419 NZ LYS A 29 10.179 6.572 0.599 1.00 0.00 N ATOM 0 H LYS A 29 5.576 10.075 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 29 8.042 11.281 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.250 8.516 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.889 8.920 -2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.825 9.703 -0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.413 8.804 -0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.528 7.141 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.176 6.868 -1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.160 8.259 -0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.510 8.557 0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.136 6.779 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.607 6.173 1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.237 5.885 -0.180 1.00 0.00 H new ATOM 433 N SER A 30 7.446 11.024 -5.140 1.00 0.00 N ATOM 434 CA SER A 30 7.954 11.290 -6.481 1.00 0.00 C ATOM 435 C SER A 30 7.884 12.780 -6.803 1.00 0.00 C ATOM 436 O SER A 30 8.637 13.283 -7.637 1.00 0.00 O ATOM 437 CB SER A 30 7.157 10.495 -7.518 1.00 0.00 C ATOM 438 OG SER A 30 7.525 9.126 -7.503 1.00 0.00 O ATOM 0 H SER A 30 6.431 10.942 -5.082 1.00 0.00 H new ATOM 0 HA SER A 30 8.997 10.977 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.091 10.591 -7.313 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.330 10.911 -8.511 1.00 0.00 H new ATOM 0 HG SER A 30 7.052 8.668 -6.777 1.00 0.00 H new ATOM 444 N THR A 31 6.974 13.481 -6.135 1.00 0.00 N ATOM 445 CA THR A 31 6.803 14.913 -6.349 1.00 0.00 C ATOM 446 C THR A 31 7.759 15.717 -5.475 1.00 0.00 C ATOM 447 O THR A 31 8.378 16.675 -5.935 1.00 0.00 O ATOM 448 CB THR A 31 5.358 15.357 -6.054 1.00 0.00 C ATOM 449 OG1 THR A 31 4.766 14.484 -5.086 1.00 0.00 O ATOM 450 CG2 THR A 31 4.521 15.355 -7.324 1.00 0.00 C ATOM 0 H THR A 31 6.343 13.080 -5.441 1.00 0.00 H new ATOM 0 HA THR A 31 7.026 15.105 -7.399 1.00 0.00 H new ATOM 0 HB THR A 31 5.387 16.372 -5.658 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.848 14.774 -4.902 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.505 15.672 -7.090 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.958 16.042 -8.049 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.500 14.349 -7.744 1.00 0.00 H new ATOM 458 N ASN A 32 7.874 15.320 -4.212 1.00 0.00 N ATOM 459 CA ASN A 32 8.755 16.005 -3.273 1.00 0.00 C ATOM 460 C ASN A 32 10.142 15.370 -3.266 1.00 0.00 C ATOM 461 O ASN A 32 10.293 14.150 -3.198 1.00 0.00 O ATOM 462 CB ASN A 32 8.159 15.971 -1.864 1.00 0.00 C ATOM 463 CG ASN A 32 7.104 17.040 -1.657 1.00 0.00 C ATOM 464 OD1 ASN A 32 7.409 18.232 -1.630 1.00 0.00 O ATOM 465 ND2 ASN A 32 5.854 16.617 -1.508 1.00 0.00 N ATOM 0 H ASN A 32 7.368 14.528 -3.815 1.00 0.00 H new ATOM 0 HA ASN A 32 8.851 17.042 -3.594 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.719 14.990 -1.682 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.956 16.104 -1.132 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.101 17.290 -1.364 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.646 15.619 -1.537 1.00 0.00 H new ATOM 472 N PRO A 33 11.181 16.215 -3.337 1.00 0.00 N ATOM 473 CA PRO A 33 12.574 15.759 -3.339 1.00 0.00 C ATOM 474 C PRO A 33 13.001 15.194 -1.989 1.00 0.00 C ATOM 475 O PRO A 33 12.843 15.842 -0.956 1.00 0.00 O ATOM 476 CB PRO A 33 13.363 17.032 -3.659 1.00 0.00 C ATOM 477 CG PRO A 33 12.488 18.146 -3.199 1.00 0.00 C ATOM 478 CD PRO A 33 11.075 17.682 -3.420 1.00 0.00 C ATOM 0 HA PRO A 33 12.737 14.949 -4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.323 17.043 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.574 17.109 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.664 18.372 -2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.691 19.059 -3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.398 18.080 -2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.693 18.003 -4.389 1.00 0.00 H new ATOM 486 N GLY A 34 13.543 13.979 -2.006 1.00 0.00 N ATOM 487 CA GLY A 34 13.984 13.347 -0.777 1.00 0.00 C ATOM 488 C GLY A 34 13.036 13.601 0.379 1.00 0.00 C ATOM 489 O GLY A 34 13.460 13.674 1.533 1.00 0.00 O ATOM 0 H GLY A 34 13.684 13.422 -2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.077 12.273 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.976 13.717 -0.517 1.00 0.00 H new ATOM 493 N ILE A 35 11.751 13.736 0.069 1.00 0.00 N ATOM 494 CA ILE A 35 10.742 13.984 1.091 1.00 0.00 C ATOM 495 C ILE A 35 10.997 13.136 2.332 1.00 0.00 C ATOM 496 O ILE A 35 11.545 12.037 2.245 1.00 0.00 O ATOM 497 CB ILE A 35 9.325 13.690 0.565 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.274 14.242 1.530 1.00 0.00 C ATOM 499 CG2 ILE A 35 9.134 12.194 0.365 1.00 0.00 C ATOM 500 CD1 ILE A 35 6.952 14.560 0.867 1.00 0.00 C ATOM 0 H ILE A 35 11.384 13.678 -0.881 1.00 0.00 H new ATOM 0 HA ILE A 35 10.812 15.039 1.354 1.00 0.00 H new ATOM 0 HB ILE A 35 9.202 14.185 -0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.107 13.516 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.663 15.146 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.128 12.002 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.864 11.827 -0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.274 11.679 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.256 14.947 1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.106 15.309 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.541 13.654 0.422 1.00 0.00 H new ATOM 512 N SER A 36 10.595 13.654 3.489 1.00 0.00 N ATOM 513 CA SER A 36 10.782 12.946 4.750 1.00 0.00 C ATOM 514 C SER A 36 9.455 12.399 5.267 1.00 0.00 C ATOM 515 O SER A 36 8.407 13.025 5.104 1.00 0.00 O ATOM 516 CB SER A 36 11.405 13.875 5.793 1.00 0.00 C ATOM 517 OG SER A 36 12.161 13.141 6.742 1.00 0.00 O ATOM 0 H SER A 36 10.138 14.561 3.579 1.00 0.00 H new ATOM 0 HA SER A 36 11.456 12.108 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.046 14.605 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.620 14.434 6.302 1.00 0.00 H new ATOM 0 HG SER A 36 12.551 13.757 7.397 1.00 0.00 H new ATOM 523 N ILE A 37 9.508 11.227 5.891 1.00 0.00 N ATOM 524 CA ILE A 37 8.311 10.596 6.434 1.00 0.00 C ATOM 525 C ILE A 37 7.363 11.634 7.026 1.00 0.00 C ATOM 526 O ILE A 37 6.146 11.531 6.882 1.00 0.00 O ATOM 527 CB ILE A 37 8.663 9.561 7.518 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.592 8.487 6.947 1.00 0.00 C ATOM 529 CG2 ILE A 37 7.398 8.931 8.080 1.00 0.00 C ATOM 530 CD1 ILE A 37 11.060 8.832 7.068 1.00 0.00 C ATOM 0 H ILE A 37 10.367 10.695 6.033 1.00 0.00 H new ATOM 0 HA ILE A 37 7.818 10.088 5.605 1.00 0.00 H new ATOM 0 HB ILE A 37 9.183 10.070 8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.405 7.545 7.462 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.349 8.329 5.896 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.664 8.202 8.845 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.770 9.706 8.520 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.852 8.433 7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.659 8.027 6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.262 9.758 6.529 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.318 8.961 8.119 1.00 0.00 H new ATOM 542 N GLY A 38 7.931 12.635 7.692 1.00 0.00 N ATOM 543 CA GLY A 38 7.122 13.678 8.294 1.00 0.00 C ATOM 544 C GLY A 38 6.226 14.371 7.287 1.00 0.00 C ATOM 545 O GLY A 38 5.004 14.389 7.441 1.00 0.00 O ATOM 0 H GLY A 38 8.937 12.742 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.509 13.247 9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.775 14.415 8.763 1.00 0.00 H new ATOM 549 N ASP A 39 6.833 14.944 6.253 1.00 0.00 N ATOM 550 CA ASP A 39 6.081 15.643 5.217 1.00 0.00 C ATOM 551 C ASP A 39 4.938 14.777 4.698 1.00 0.00 C ATOM 552 O ASP A 39 3.773 15.171 4.753 1.00 0.00 O ATOM 553 CB ASP A 39 7.006 16.034 4.063 1.00 0.00 C ATOM 554 CG ASP A 39 7.878 17.227 4.399 1.00 0.00 C ATOM 555 OD1 ASP A 39 7.322 18.285 4.762 1.00 0.00 O ATOM 556 OD2 ASP A 39 9.117 17.104 4.298 1.00 0.00 O ATOM 0 H ASP A 39 7.843 14.938 6.110 1.00 0.00 H new ATOM 0 HA ASP A 39 5.658 16.547 5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.640 15.185 3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.406 16.263 3.182 1.00 0.00 H new ATOM 561 N VAL A 40 5.279 13.596 4.192 1.00 0.00 N ATOM 562 CA VAL A 40 4.281 12.674 3.662 1.00 0.00 C ATOM 563 C VAL A 40 3.102 12.531 4.619 1.00 0.00 C ATOM 564 O VAL A 40 1.946 12.667 4.220 1.00 0.00 O ATOM 565 CB VAL A 40 4.886 11.282 3.399 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.811 10.312 2.934 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.010 11.375 2.379 1.00 0.00 C ATOM 0 H VAL A 40 6.239 13.255 4.138 1.00 0.00 H new ATOM 0 HA VAL A 40 3.931 13.094 2.719 1.00 0.00 H new ATOM 0 HB VAL A 40 5.303 10.903 4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.257 9.334 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.043 10.224 3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.361 10.682 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.426 10.383 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.620 11.774 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.791 12.035 2.757 1.00 0.00 H new ATOM 577 N ALA A 41 3.404 12.258 5.884 1.00 0.00 N ATOM 578 CA ALA A 41 2.369 12.099 6.898 1.00 0.00 C ATOM 579 C ALA A 41 1.482 13.337 6.976 1.00 0.00 C ATOM 580 O ALA A 41 0.255 13.234 6.990 1.00 0.00 O ATOM 581 CB ALA A 41 2.999 11.813 8.254 1.00 0.00 C ATOM 0 H ALA A 41 4.356 12.142 6.231 1.00 0.00 H new ATOM 0 HA ALA A 41 1.743 11.253 6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.215 11.696 9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.585 10.896 8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.649 12.642 8.535 1.00 0.00 H new ATOM 587 N LYS A 42 2.110 14.507 7.027 1.00 0.00 N ATOM 588 CA LYS A 42 1.378 15.766 7.103 1.00 0.00 C ATOM 589 C LYS A 42 0.433 15.917 5.916 1.00 0.00 C ATOM 590 O LYS A 42 -0.745 16.237 6.083 1.00 0.00 O ATOM 591 CB LYS A 42 2.353 16.944 7.146 1.00 0.00 C ATOM 592 CG LYS A 42 1.668 18.300 7.151 1.00 0.00 C ATOM 593 CD LYS A 42 2.674 19.433 7.031 1.00 0.00 C ATOM 594 CE LYS A 42 1.999 20.791 7.143 1.00 0.00 C ATOM 595 NZ LYS A 42 1.675 21.136 8.555 1.00 0.00 N ATOM 0 H LYS A 42 3.125 14.610 7.017 1.00 0.00 H new ATOM 0 HA LYS A 42 0.786 15.759 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.976 16.857 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.019 16.886 6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.958 18.353 6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.096 18.416 8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.429 19.335 7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.193 19.361 6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.652 21.556 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.084 20.792 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.216 22.069 8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.032 20.420 8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.550 21.161 9.116 1.00 0.00 H new ATOM 609 N LYS A 43 0.955 15.685 4.716 1.00 0.00 N ATOM 610 CA LYS A 43 0.157 15.794 3.500 1.00 0.00 C ATOM 611 C LYS A 43 -0.963 14.758 3.490 1.00 0.00 C ATOM 612 O LYS A 43 -2.144 15.106 3.520 1.00 0.00 O ATOM 613 CB LYS A 43 1.044 15.613 2.266 1.00 0.00 C ATOM 614 CG LYS A 43 1.779 16.877 1.855 1.00 0.00 C ATOM 615 CD LYS A 43 3.134 16.980 2.535 1.00 0.00 C ATOM 616 CE LYS A 43 4.136 17.730 1.671 1.00 0.00 C ATOM 617 NZ LYS A 43 3.994 19.206 1.811 1.00 0.00 N ATOM 0 H LYS A 43 1.928 15.420 4.560 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.290 16.788 3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.773 14.827 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.428 15.273 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.912 16.886 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.176 17.749 2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.024 17.490 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.512 15.980 2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.148 17.435 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.997 17.449 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.694 19.681 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.037 19.492 1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.152 19.477 2.803 1.00 0.00 H new ATOM 631 N LEU A 44 -0.585 13.485 3.450 1.00 0.00 N ATOM 632 CA LEU A 44 -1.559 12.398 3.438 1.00 0.00 C ATOM 633 C LEU A 44 -2.777 12.750 4.285 1.00 0.00 C ATOM 634 O LEU A 44 -3.908 12.732 3.802 1.00 0.00 O ATOM 635 CB LEU A 44 -0.918 11.109 3.954 1.00 0.00 C ATOM 636 CG LEU A 44 0.051 10.412 3.000 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.730 9.239 3.690 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.676 9.947 1.746 1.00 0.00 C ATOM 0 H LEU A 44 0.388 13.180 3.425 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.887 12.247 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.386 11.336 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.713 10.408 4.208 1.00 0.00 H new ATOM 0 HG LEU A 44 0.819 11.128 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.416 8.755 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.285 9.598 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.024 8.521 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.030 9.453 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.465 9.248 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.114 10.807 1.239 1.00 0.00 H new ATOM 650 N GLY A 45 -2.538 13.071 5.553 1.00 0.00 N ATOM 651 CA GLY A 45 -3.625 13.424 6.447 1.00 0.00 C ATOM 652 C GLY A 45 -4.616 14.376 5.807 1.00 0.00 C ATOM 653 O GLY A 45 -5.818 14.115 5.797 1.00 0.00 O ATOM 0 H GLY A 45 -1.611 13.093 5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.145 12.518 6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.216 13.881 7.348 1.00 0.00 H new ATOM 657 N GLU A 46 -4.110 15.484 5.274 1.00 0.00 N ATOM 658 CA GLU A 46 -4.961 16.479 4.631 1.00 0.00 C ATOM 659 C GLU A 46 -5.684 15.881 3.427 1.00 0.00 C ATOM 660 O GLU A 46 -6.859 16.161 3.194 1.00 0.00 O ATOM 661 CB GLU A 46 -4.130 17.686 4.193 1.00 0.00 C ATOM 662 CG GLU A 46 -4.035 18.775 5.249 1.00 0.00 C ATOM 663 CD GLU A 46 -5.178 19.768 5.168 1.00 0.00 C ATOM 664 OE1 GLU A 46 -6.286 19.365 4.757 1.00 0.00 O ATOM 665 OE2 GLU A 46 -4.964 20.948 5.516 1.00 0.00 O ATOM 0 H GLU A 46 -3.117 15.715 5.275 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.707 16.804 5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.125 17.351 3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.566 18.107 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.026 18.317 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.089 19.305 5.135 1.00 0.00 H new ATOM 672 N MET A 47 -4.971 15.057 2.666 1.00 0.00 N ATOM 673 CA MET A 47 -5.544 14.419 1.486 1.00 0.00 C ATOM 674 C MET A 47 -6.763 13.582 1.859 1.00 0.00 C ATOM 675 O MET A 47 -7.843 13.757 1.295 1.00 0.00 O ATOM 676 CB MET A 47 -4.499 13.540 0.797 1.00 0.00 C ATOM 677 CG MET A 47 -3.177 14.249 0.549 1.00 0.00 C ATOM 678 SD MET A 47 -1.927 13.159 -0.158 1.00 0.00 S ATOM 679 CE MET A 47 -2.712 12.699 -1.701 1.00 0.00 C ATOM 0 H MET A 47 -3.996 14.815 2.845 1.00 0.00 H new ATOM 0 HA MET A 47 -5.860 15.203 0.797 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.319 12.656 1.409 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.900 13.192 -0.155 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.341 15.091 -0.123 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.807 14.659 1.489 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.948 12.504 -2.454 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.311 11.801 -1.551 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.355 13.512 -2.039 1.00 0.00 H new ATOM 689 N TRP A 48 -6.583 12.674 2.812 1.00 0.00 N ATOM 690 CA TRP A 48 -7.670 11.810 3.259 1.00 0.00 C ATOM 691 C TRP A 48 -8.942 12.615 3.500 1.00 0.00 C ATOM 692 O TRP A 48 -10.018 12.247 3.032 1.00 0.00 O ATOM 693 CB TRP A 48 -7.268 11.072 4.537 1.00 0.00 C ATOM 694 CG TRP A 48 -8.368 10.227 5.105 1.00 0.00 C ATOM 695 CD1 TRP A 48 -8.946 10.353 6.336 1.00 0.00 C ATOM 696 CD2 TRP A 48 -9.020 9.125 4.465 1.00 0.00 C ATOM 697 NE1 TRP A 48 -9.918 9.396 6.499 1.00 0.00 N ATOM 698 CE2 TRP A 48 -9.984 8.630 5.365 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.885 8.509 3.218 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.805 7.549 5.056 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.700 7.436 2.913 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.651 6.965 3.828 1.00 0.00 C ATOM 0 H TRP A 48 -5.696 12.517 3.290 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.868 11.081 2.473 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.405 10.440 4.327 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.955 11.800 5.285 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.678 11.096 7.073 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.497 9.275 7.330 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.156 8.866 2.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.538 7.184 5.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.602 6.952 1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.274 6.125 3.559 1.00 0.00 H new ATOM 713 N ASN A 49 -8.810 13.716 4.234 1.00 0.00 N ATOM 714 CA ASN A 49 -9.950 14.573 4.537 1.00 0.00 C ATOM 715 C ASN A 49 -10.499 15.218 3.267 1.00 0.00 C ATOM 716 O ASN A 49 -11.711 15.341 3.095 1.00 0.00 O ATOM 717 CB ASN A 49 -9.548 15.656 5.540 1.00 0.00 C ATOM 718 CG ASN A 49 -10.748 16.302 6.206 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.800 15.678 6.354 1.00 0.00 O ATOM 720 ND2 ASN A 49 -10.596 17.557 6.611 1.00 0.00 N ATOM 0 H ASN A 49 -7.925 14.035 4.629 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.732 13.953 4.976 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.904 15.219 6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.964 16.421 5.029 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.369 18.043 7.066 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.706 18.035 6.468 1.00 0.00 H new ATOM 727 N ASN A 50 -9.597 15.628 2.381 1.00 0.00 N ATOM 728 CA ASN A 50 -9.990 16.261 1.127 1.00 0.00 C ATOM 729 C ASN A 50 -10.976 15.384 0.362 1.00 0.00 C ATOM 730 O ASN A 50 -11.892 15.885 -0.292 1.00 0.00 O ATOM 731 CB ASN A 50 -8.758 16.537 0.263 1.00 0.00 C ATOM 732 CG ASN A 50 -8.161 17.906 0.528 1.00 0.00 C ATOM 733 OD1 ASN A 50 -8.662 18.919 0.040 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.084 17.941 1.304 1.00 0.00 N ATOM 0 H ASN A 50 -8.589 15.533 2.508 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.479 17.206 1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.005 15.772 0.454 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.031 16.460 -0.789 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.638 18.833 1.517 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.703 17.076 1.687 1.00 0.00 H new ATOM 741 N LEU A 51 -10.783 14.072 0.447 1.00 0.00 N ATOM 742 CA LEU A 51 -11.656 13.124 -0.237 1.00 0.00 C ATOM 743 C LEU A 51 -13.096 13.264 0.245 1.00 0.00 C ATOM 744 O LEU A 51 -13.353 13.823 1.310 1.00 0.00 O ATOM 745 CB LEU A 51 -11.166 11.693 -0.007 1.00 0.00 C ATOM 746 CG LEU A 51 -9.848 11.318 -0.687 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.272 10.052 -0.071 1.00 0.00 C ATOM 748 CD2 LEU A 51 -10.053 11.139 -2.184 1.00 0.00 C ATOM 0 H LEU A 51 -10.030 13.641 0.983 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.627 13.345 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.056 11.536 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.938 11.006 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.137 12.129 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.335 9.800 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.088 10.215 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.980 9.232 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.105 10.873 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.780 10.346 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.421 12.070 -2.615 1.00 0.00 H new ATOM 760 N ASN A 52 -14.032 12.751 -0.547 1.00 0.00 N ATOM 761 CA ASN A 52 -15.447 12.817 -0.200 1.00 0.00 C ATOM 762 C ASN A 52 -15.986 11.434 0.152 1.00 0.00 C ATOM 763 O ASN A 52 -15.388 10.416 -0.197 1.00 0.00 O ATOM 764 CB ASN A 52 -16.250 13.410 -1.359 1.00 0.00 C ATOM 765 CG ASN A 52 -15.785 12.895 -2.708 1.00 0.00 C ATOM 766 OD1 ASN A 52 -15.999 11.732 -3.049 1.00 0.00 O ATOM 767 ND2 ASN A 52 -15.143 13.763 -3.482 1.00 0.00 N ATOM 0 H ASN A 52 -13.836 12.285 -1.433 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.552 13.461 0.673 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.305 13.171 -1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -16.164 14.496 -1.339 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.805 13.475 -4.400 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.988 14.718 -3.158 1.00 0.00 H new ATOM 774 N ASP A 53 -17.119 11.406 0.845 1.00 0.00 N ATOM 775 CA ASP A 53 -17.741 10.148 1.243 1.00 0.00 C ATOM 776 C ASP A 53 -17.883 9.210 0.049 1.00 0.00 C ATOM 777 O ASP A 53 -17.934 7.990 0.207 1.00 0.00 O ATOM 778 CB ASP A 53 -19.112 10.408 1.869 1.00 0.00 C ATOM 779 CG ASP A 53 -19.079 11.524 2.893 1.00 0.00 C ATOM 780 OD1 ASP A 53 -18.851 12.687 2.497 1.00 0.00 O ATOM 781 OD2 ASP A 53 -19.282 11.236 4.091 1.00 0.00 O ATOM 0 H ASP A 53 -17.626 12.240 1.143 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.097 9.671 1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.825 10.661 1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.471 9.494 2.343 1.00 0.00 H new ATOM 786 N SER A 54 -17.946 9.787 -1.147 1.00 0.00 N ATOM 787 CA SER A 54 -18.087 9.003 -2.368 1.00 0.00 C ATOM 788 C SER A 54 -16.742 8.427 -2.802 1.00 0.00 C ATOM 789 O SER A 54 -16.673 7.322 -3.340 1.00 0.00 O ATOM 790 CB SER A 54 -18.671 9.865 -3.489 1.00 0.00 C ATOM 791 OG SER A 54 -18.987 9.080 -4.625 1.00 0.00 O ATOM 0 H SER A 54 -17.902 10.795 -1.296 1.00 0.00 H new ATOM 0 HA SER A 54 -18.768 8.177 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.568 10.372 -3.133 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.956 10.640 -3.766 1.00 0.00 H new ATOM 0 HG SER A 54 -19.360 9.654 -5.326 1.00 0.00 H new ATOM 797 N GLU A 55 -15.676 9.185 -2.564 1.00 0.00 N ATOM 798 CA GLU A 55 -14.334 8.751 -2.931 1.00 0.00 C ATOM 799 C GLU A 55 -13.816 7.699 -1.954 1.00 0.00 C ATOM 800 O GLU A 55 -13.075 6.792 -2.335 1.00 0.00 O ATOM 801 CB GLU A 55 -13.378 9.946 -2.964 1.00 0.00 C ATOM 802 CG GLU A 55 -13.511 10.796 -4.216 1.00 0.00 C ATOM 803 CD GLU A 55 -12.765 10.212 -5.400 1.00 0.00 C ATOM 804 OE1 GLU A 55 -11.547 10.460 -5.515 1.00 0.00 O ATOM 805 OE2 GLU A 55 -13.401 9.507 -6.212 1.00 0.00 O ATOM 0 H GLU A 55 -15.716 10.102 -2.119 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.383 8.306 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.560 10.571 -2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.353 9.583 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.566 10.898 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.134 11.798 -4.012 1.00 0.00 H new ATOM 812 N LYS A 56 -14.212 7.826 -0.692 1.00 0.00 N ATOM 813 CA LYS A 56 -13.790 6.888 0.341 1.00 0.00 C ATOM 814 C LYS A 56 -14.578 5.585 0.247 1.00 0.00 C ATOM 815 O LYS A 56 -14.147 4.552 0.758 1.00 0.00 O ATOM 816 CB LYS A 56 -13.973 7.509 1.728 1.00 0.00 C ATOM 817 CG LYS A 56 -12.976 8.613 2.037 1.00 0.00 C ATOM 818 CD LYS A 56 -13.376 9.393 3.278 1.00 0.00 C ATOM 819 CE LYS A 56 -12.346 10.459 3.621 1.00 0.00 C ATOM 820 NZ LYS A 56 -12.965 11.628 4.305 1.00 0.00 N ATOM 0 H LYS A 56 -14.825 8.570 -0.360 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.734 6.665 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.983 7.911 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.882 6.727 2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.986 8.181 2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.907 9.291 1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.347 9.862 3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.487 8.709 4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.577 10.028 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.851 10.792 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.231 12.332 4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.681 12.055 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.416 11.315 5.188 1.00 0.00 H new ATOM 834 N GLN A 57 -15.732 5.643 -0.409 1.00 0.00 N ATOM 835 CA GLN A 57 -16.579 4.467 -0.569 1.00 0.00 C ATOM 836 C GLN A 57 -15.758 3.263 -1.020 1.00 0.00 C ATOM 837 O GLN A 57 -15.726 2.222 -0.363 1.00 0.00 O ATOM 838 CB GLN A 57 -17.692 4.747 -1.581 1.00 0.00 C ATOM 839 CG GLN A 57 -18.982 5.239 -0.945 1.00 0.00 C ATOM 840 CD GLN A 57 -19.762 4.127 -0.273 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.444 3.343 -0.934 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.666 4.051 1.050 1.00 0.00 N ATOM 0 H GLN A 57 -16.102 6.491 -0.838 1.00 0.00 H new ATOM 0 HA GLN A 57 -17.026 4.238 0.398 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.342 5.491 -2.297 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.898 3.836 -2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.749 6.010 -0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.605 5.704 -1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -19.090 4.721 1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -20.169 3.322 1.557 1.00 0.00 H new ATOM 851 N PRO A 58 -15.079 3.405 -2.168 1.00 0.00 N ATOM 852 CA PRO A 58 -14.245 2.339 -2.731 1.00 0.00 C ATOM 853 C PRO A 58 -12.989 2.087 -1.905 1.00 0.00 C ATOM 854 O PRO A 58 -12.266 1.117 -2.136 1.00 0.00 O ATOM 855 CB PRO A 58 -13.875 2.873 -4.117 1.00 0.00 C ATOM 856 CG PRO A 58 -13.967 4.355 -3.989 1.00 0.00 C ATOM 857 CD PRO A 58 -15.072 4.618 -3.003 1.00 0.00 C ATOM 0 HA PRO A 58 -14.767 1.382 -2.753 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.871 2.562 -4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.557 2.498 -4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.024 4.776 -3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.185 4.817 -4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.878 5.512 -2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.029 4.768 -3.502 1.00 0.00 H new ATOM 865 N TYR A 59 -12.734 2.965 -0.941 1.00 0.00 N ATOM 866 CA TYR A 59 -11.564 2.839 -0.081 1.00 0.00 C ATOM 867 C TYR A 59 -11.916 2.119 1.217 1.00 0.00 C ATOM 868 O TYR A 59 -11.075 1.447 1.815 1.00 0.00 O ATOM 869 CB TYR A 59 -10.982 4.219 0.230 1.00 0.00 C ATOM 870 CG TYR A 59 -10.049 4.738 -0.841 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.905 4.033 -1.195 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.311 5.933 -1.499 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.050 4.504 -2.172 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.462 6.411 -2.478 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.333 5.693 -2.811 1.00 0.00 C ATOM 876 OH TYR A 59 -7.484 6.165 -3.786 1.00 0.00 O ATOM 0 H TYR A 59 -13.323 3.772 -0.736 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.817 2.248 -0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.800 4.928 0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.444 4.172 1.177 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.681 3.101 -0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.194 6.498 -1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.164 3.944 -2.434 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.681 7.342 -2.980 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.828 7.013 -4.137 1.00 0.00 H new ATOM 886 N ILE A 60 -13.166 2.264 1.645 1.00 0.00 N ATOM 887 CA ILE A 60 -13.631 1.626 2.871 1.00 0.00 C ATOM 888 C ILE A 60 -14.099 0.200 2.605 1.00 0.00 C ATOM 889 O ILE A 60 -13.925 -0.689 3.440 1.00 0.00 O ATOM 890 CB ILE A 60 -14.782 2.420 3.516 1.00 0.00 C ATOM 891 CG1 ILE A 60 -14.321 3.837 3.866 1.00 0.00 C ATOM 892 CG2 ILE A 60 -15.291 1.702 4.756 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.452 4.759 4.263 1.00 0.00 C ATOM 0 H ILE A 60 -13.874 2.817 1.162 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.784 1.606 3.557 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.600 2.491 2.799 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.602 3.785 4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.800 4.263 3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.104 2.276 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.654 0.712 4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.480 1.603 5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -15.052 5.746 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.161 4.841 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.960 4.356 5.139 1.00 0.00 H new ATOM 905 N THR A 61 -14.692 -0.015 1.435 1.00 0.00 N ATOM 906 CA THR A 61 -15.185 -1.334 1.058 1.00 0.00 C ATOM 907 C THR A 61 -14.040 -2.332 0.932 1.00 0.00 C ATOM 908 O THR A 61 -14.137 -3.466 1.401 1.00 0.00 O ATOM 909 CB THR A 61 -15.958 -1.285 -0.274 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.963 -0.267 -0.220 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.605 -2.629 -0.573 1.00 0.00 C ATOM 0 H THR A 61 -14.843 0.708 0.732 1.00 0.00 H new ATOM 0 HA THR A 61 -15.861 -1.658 1.850 1.00 0.00 H new ATOM 0 HB THR A 61 -15.251 -1.054 -1.071 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.541 0.614 -0.300 1.00 0.00 H new ATOM 0 HG21 THR A 61 -17.145 -2.571 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.834 -3.396 -0.643 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.300 -2.884 0.227 1.00 0.00 H new ATOM 919 N LYS A 62 -12.955 -1.905 0.295 1.00 0.00 N ATOM 920 CA LYS A 62 -11.790 -2.761 0.108 1.00 0.00 C ATOM 921 C LYS A 62 -11.217 -3.201 1.452 1.00 0.00 C ATOM 922 O LYS A 62 -11.029 -4.392 1.697 1.00 0.00 O ATOM 923 CB LYS A 62 -10.717 -2.027 -0.700 1.00 0.00 C ATOM 924 CG LYS A 62 -9.483 -2.868 -0.976 1.00 0.00 C ATOM 925 CD LYS A 62 -8.600 -2.231 -2.037 1.00 0.00 C ATOM 926 CE LYS A 62 -7.241 -2.910 -2.112 1.00 0.00 C ATOM 927 NZ LYS A 62 -6.255 -2.283 -1.190 1.00 0.00 N ATOM 0 H LYS A 62 -12.858 -0.970 -0.101 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.106 -3.648 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.146 -1.704 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.420 -1.127 -0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.914 -2.994 -0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.785 -3.863 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.093 -2.293 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.467 -1.172 -1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.349 -3.966 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.866 -2.859 -3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.419 -1.980 -1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.687 -1.457 -0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.969 -2.973 -0.467 1.00 0.00 H new ATOM 941 N ALA A 63 -10.944 -2.232 2.320 1.00 0.00 N ATOM 942 CA ALA A 63 -10.396 -2.520 3.639 1.00 0.00 C ATOM 943 C ALA A 63 -11.255 -3.541 4.378 1.00 0.00 C ATOM 944 O ALA A 63 -10.735 -4.435 5.047 1.00 0.00 O ATOM 945 CB ALA A 63 -10.278 -1.240 4.453 1.00 0.00 C ATOM 0 H ALA A 63 -11.094 -1.241 2.133 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.402 -2.946 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.867 -1.470 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.618 -0.541 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.264 -0.790 4.568 1.00 0.00 H new ATOM 951 N ALA A 64 -12.570 -3.402 4.254 1.00 0.00 N ATOM 952 CA ALA A 64 -13.500 -4.314 4.909 1.00 0.00 C ATOM 953 C ALA A 64 -13.193 -5.764 4.549 1.00 0.00 C ATOM 954 O ALA A 64 -13.242 -6.650 5.402 1.00 0.00 O ATOM 955 CB ALA A 64 -14.933 -3.966 4.534 1.00 0.00 C ATOM 0 H ALA A 64 -13.016 -2.666 3.706 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.381 -4.202 5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.617 -4.655 5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.154 -2.946 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.056 -4.047 3.454 1.00 0.00 H new ATOM 961 N LYS A 65 -12.878 -5.999 3.280 1.00 0.00 N ATOM 962 CA LYS A 65 -12.562 -7.341 2.806 1.00 0.00 C ATOM 963 C LYS A 65 -11.321 -7.887 3.504 1.00 0.00 C ATOM 964 O LYS A 65 -11.299 -9.037 3.944 1.00 0.00 O ATOM 965 CB LYS A 65 -12.345 -7.331 1.291 1.00 0.00 C ATOM 966 CG LYS A 65 -13.546 -6.828 0.508 1.00 0.00 C ATOM 967 CD LYS A 65 -14.513 -7.954 0.185 1.00 0.00 C ATOM 968 CE LYS A 65 -15.926 -7.432 -0.026 1.00 0.00 C ATOM 969 NZ LYS A 65 -16.046 -6.655 -1.291 1.00 0.00 N ATOM 0 H LYS A 65 -12.835 -5.277 2.561 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.405 -7.990 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.483 -6.705 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.103 -8.341 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.061 -6.059 1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.208 -6.361 -0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.179 -8.476 -0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.510 -8.682 0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.623 -8.269 -0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.210 -6.801 0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.023 -6.316 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.399 -5.841 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.800 -7.264 -2.097 1.00 0.00 H new ATOM 983 N LEU A 66 -10.290 -7.055 3.604 1.00 0.00 N ATOM 984 CA LEU A 66 -9.045 -7.455 4.250 1.00 0.00 C ATOM 985 C LEU A 66 -9.307 -7.982 5.657 1.00 0.00 C ATOM 986 O LEU A 66 -8.823 -9.051 6.032 1.00 0.00 O ATOM 987 CB LEU A 66 -8.076 -6.272 4.309 1.00 0.00 C ATOM 988 CG LEU A 66 -7.212 -6.050 3.067 1.00 0.00 C ATOM 989 CD1 LEU A 66 -6.094 -7.078 3.004 1.00 0.00 C ATOM 990 CD2 LEU A 66 -8.064 -6.108 1.808 1.00 0.00 C ATOM 0 H LEU A 66 -10.292 -6.100 3.246 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.598 -8.255 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.652 -5.365 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.417 -6.410 5.166 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.763 -5.059 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.490 -6.904 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.467 -6.989 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.522 -8.079 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.433 -5.948 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.542 -7.085 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.829 -5.332 1.850 1.00 0.00 H new ATOM 1002 N LYS A 67 -10.078 -7.228 6.433 1.00 0.00 N ATOM 1003 CA LYS A 67 -10.408 -7.620 7.798 1.00 0.00 C ATOM 1004 C LYS A 67 -10.917 -9.057 7.843 1.00 0.00 C ATOM 1005 O LYS A 67 -10.523 -9.837 8.710 1.00 0.00 O ATOM 1006 CB LYS A 67 -11.463 -6.676 8.380 1.00 0.00 C ATOM 1007 CG LYS A 67 -11.903 -7.049 9.785 1.00 0.00 C ATOM 1008 CD LYS A 67 -13.026 -6.149 10.275 1.00 0.00 C ATOM 1009 CE LYS A 67 -13.142 -6.179 11.791 1.00 0.00 C ATOM 1010 NZ LYS A 67 -13.823 -7.413 12.271 1.00 0.00 N ATOM 0 H LYS A 67 -10.487 -6.341 6.139 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.500 -7.555 8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.065 -5.661 8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.334 -6.670 7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.235 -8.087 9.800 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.054 -6.976 10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.846 -5.127 9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.969 -6.467 9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.147 -6.118 12.233 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.696 -5.303 12.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.882 -7.395 13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.782 -7.459 11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.281 -8.248 11.969 1.00 0.00 H new ATOM 1024 N GLU A 68 -11.791 -9.401 6.903 1.00 0.00 N ATOM 1025 CA GLU A 68 -12.352 -10.745 6.836 1.00 0.00 C ATOM 1026 C GLU A 68 -11.260 -11.799 6.997 1.00 0.00 C ATOM 1027 O GLU A 68 -11.325 -12.647 7.887 1.00 0.00 O ATOM 1028 CB GLU A 68 -13.084 -10.952 5.508 1.00 0.00 C ATOM 1029 CG GLU A 68 -14.243 -9.993 5.297 1.00 0.00 C ATOM 1030 CD GLU A 68 -15.283 -10.083 6.397 1.00 0.00 C ATOM 1031 OE1 GLU A 68 -15.079 -9.459 7.459 1.00 0.00 O ATOM 1032 OE2 GLU A 68 -16.301 -10.778 6.195 1.00 0.00 O ATOM 0 H GLU A 68 -12.126 -8.767 6.177 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.063 -10.855 7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.374 -10.836 4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.457 -11.975 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.861 -8.973 5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.715 -10.205 4.338 1.00 0.00 H new ATOM 1039 N LYS A 69 -10.256 -11.738 6.129 1.00 0.00 N ATOM 1040 CA LYS A 69 -9.148 -12.685 6.173 1.00 0.00 C ATOM 1041 C LYS A 69 -8.462 -12.657 7.535 1.00 0.00 C ATOM 1042 O LYS A 69 -8.238 -13.700 8.150 1.00 0.00 O ATOM 1043 CB LYS A 69 -8.133 -12.366 5.073 1.00 0.00 C ATOM 1044 CG LYS A 69 -8.579 -12.806 3.689 1.00 0.00 C ATOM 1045 CD LYS A 69 -7.399 -12.948 2.742 1.00 0.00 C ATOM 1046 CE LYS A 69 -6.857 -11.592 2.318 1.00 0.00 C ATOM 1047 NZ LYS A 69 -5.909 -11.705 1.175 1.00 0.00 N ATOM 0 H LYS A 69 -10.187 -11.042 5.386 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.551 -13.684 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.947 -11.292 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.186 -12.851 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.106 -13.758 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.285 -12.080 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.609 -13.521 3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.705 -13.510 1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.686 -10.941 2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.353 -11.122 3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.562 -10.759 0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.105 -12.305 1.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.397 -12.130 0.360 1.00 0.00 H new ATOM 1061 N TYR A 70 -8.132 -11.458 8.001 1.00 0.00 N ATOM 1062 CA TYR A 70 -7.470 -11.295 9.291 1.00 0.00 C ATOM 1063 C TYR A 70 -8.110 -12.189 10.348 1.00 0.00 C ATOM 1064 O TYR A 70 -7.428 -12.974 11.006 1.00 0.00 O ATOM 1065 CB TYR A 70 -7.533 -9.833 9.738 1.00 0.00 C ATOM 1066 CG TYR A 70 -6.809 -9.567 11.038 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -5.446 -9.811 11.160 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -7.487 -9.071 12.145 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -4.780 -9.570 12.346 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -6.829 -8.825 13.334 1.00 0.00 C ATOM 1071 CZ TYR A 70 -5.476 -9.076 13.430 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.817 -8.834 14.614 1.00 0.00 O ATOM 0 H TYR A 70 -8.312 -10.585 7.506 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.427 -11.589 9.176 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.104 -9.204 8.958 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -8.577 -9.539 9.846 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.898 -10.196 10.313 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.547 -8.875 12.074 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.721 -9.767 12.424 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.371 -8.438 14.184 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.451 -8.487 15.276 1.00 0.00 H new ATOM 1082 N GLU A 71 -9.424 -12.064 10.504 1.00 0.00 N ATOM 1083 CA GLU A 71 -10.156 -12.861 11.481 1.00 0.00 C ATOM 1084 C GLU A 71 -9.852 -14.347 11.309 1.00 0.00 C ATOM 1085 O GLU A 71 -9.580 -15.053 12.280 1.00 0.00 O ATOM 1086 CB GLU A 71 -11.661 -12.618 11.346 1.00 0.00 C ATOM 1087 CG GLU A 71 -12.061 -11.164 11.530 1.00 0.00 C ATOM 1088 CD GLU A 71 -13.539 -10.931 11.284 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -13.943 -10.872 10.104 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -14.292 -10.806 12.273 1.00 0.00 O ATOM 0 H GLU A 71 -10.003 -11.419 9.967 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.834 -12.555 12.476 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.988 -12.954 10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.186 -13.227 12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.810 -10.847 12.542 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.480 -10.542 10.849 1.00 0.00 H new ATOM 1097 N LYS A 72 -9.901 -14.814 10.066 1.00 0.00 N ATOM 1098 CA LYS A 72 -9.631 -16.215 9.764 1.00 0.00 C ATOM 1099 C LYS A 72 -8.247 -16.621 10.261 1.00 0.00 C ATOM 1100 O LYS A 72 -7.977 -17.803 10.478 1.00 0.00 O ATOM 1101 CB LYS A 72 -9.737 -16.463 8.258 1.00 0.00 C ATOM 1102 CG LYS A 72 -11.135 -16.842 7.801 1.00 0.00 C ATOM 1103 CD LYS A 72 -11.993 -15.612 7.553 1.00 0.00 C ATOM 1104 CE LYS A 72 -13.473 -15.926 7.706 1.00 0.00 C ATOM 1105 NZ LYS A 72 -13.984 -16.755 6.580 1.00 0.00 N ATOM 0 H LYS A 72 -10.125 -14.243 9.251 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.375 -16.822 10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.421 -15.565 7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.045 -17.258 7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.072 -17.433 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.608 -17.470 8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.713 -14.824 8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.803 -15.230 6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.637 -16.451 8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.038 -14.995 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.996 -16.947 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.851 -16.244 5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.462 -17.654 6.546 1.00 0.00 H new ATOM 1119 N ASP A 73 -7.374 -15.636 10.439 1.00 0.00 N ATOM 1120 CA ASP A 73 -6.019 -15.891 10.913 1.00 0.00 C ATOM 1121 C ASP A 73 -5.964 -15.874 12.437 1.00 0.00 C ATOM 1122 O ASP A 73 -5.665 -16.888 13.070 1.00 0.00 O ATOM 1123 CB ASP A 73 -5.053 -14.851 10.344 1.00 0.00 C ATOM 1124 CG ASP A 73 -4.476 -15.267 9.005 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -5.133 -15.018 7.972 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -3.368 -15.842 8.990 1.00 0.00 O ATOM 0 H ASP A 73 -7.581 -14.653 10.262 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.720 -16.881 10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.573 -13.899 10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.240 -14.689 11.052 1.00 0.00 H new ATOM 1131 N VAL A 74 -6.253 -14.716 13.022 1.00 0.00 N ATOM 1132 CA VAL A 74 -6.236 -14.567 14.473 1.00 0.00 C ATOM 1133 C VAL A 74 -7.027 -15.681 15.149 1.00 0.00 C ATOM 1134 O VAL A 74 -6.677 -16.131 16.239 1.00 0.00 O ATOM 1135 CB VAL A 74 -6.816 -13.206 14.904 1.00 0.00 C ATOM 1136 CG1 VAL A 74 -5.745 -12.128 14.847 1.00 0.00 C ATOM 1137 CG2 VAL A 74 -8.005 -12.834 14.032 1.00 0.00 C ATOM 0 H VAL A 74 -6.502 -13.867 12.514 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.193 -14.625 14.785 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.162 -13.287 15.935 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.173 -11.174 15.155 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.927 -12.392 15.517 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.367 -12.044 13.828 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.402 -11.870 14.350 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.687 -12.770 12.991 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.779 -13.595 14.128 1.00 0.00 H new ATOM 1147 N ALA A 75 -8.096 -16.122 14.493 1.00 0.00 N ATOM 1148 CA ALA A 75 -8.936 -17.186 15.030 1.00 0.00 C ATOM 1149 C ALA A 75 -8.264 -18.546 14.876 1.00 0.00 C ATOM 1150 O ALA A 75 -8.065 -19.265 15.856 1.00 0.00 O ATOM 1151 CB ALA A 75 -10.293 -17.185 14.342 1.00 0.00 C ATOM 0 H ALA A 75 -8.400 -15.759 13.590 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.080 -16.999 16.094 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.910 -17.984 14.753 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.784 -16.226 14.508 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.159 -17.344 13.272 1.00 0.00 H new ATOM 1157 N ASP A 76 -7.917 -18.893 13.642 1.00 0.00 N ATOM 1158 CA ASP A 76 -7.266 -20.168 13.360 1.00 0.00 C ATOM 1159 C ASP A 76 -5.959 -20.294 14.136 1.00 0.00 C ATOM 1160 O ASP A 76 -5.441 -21.395 14.324 1.00 0.00 O ATOM 1161 CB ASP A 76 -6.999 -20.308 11.861 1.00 0.00 C ATOM 1162 CG ASP A 76 -5.902 -21.310 11.559 1.00 0.00 C ATOM 1163 OD1 ASP A 76 -6.010 -22.464 12.022 1.00 0.00 O ATOM 1164 OD2 ASP A 76 -4.935 -20.939 10.862 1.00 0.00 O ATOM 0 H ASP A 76 -8.075 -18.310 12.820 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.935 -20.968 13.678 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.916 -20.616 11.359 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.722 -19.336 11.452 1.00 0.00 H new ATOM 1169 N TYR A 77 -5.430 -19.160 14.583 1.00 0.00 N ATOM 1170 CA TYR A 77 -4.182 -19.143 15.336 1.00 0.00 C ATOM 1171 C TYR A 77 -4.407 -19.594 16.776 1.00 0.00 C ATOM 1172 O TYR A 77 -3.480 -20.040 17.452 1.00 0.00 O ATOM 1173 CB TYR A 77 -3.570 -17.742 15.318 1.00 0.00 C ATOM 1174 CG TYR A 77 -2.410 -17.575 16.273 1.00 0.00 C ATOM 1175 CD1 TYR A 77 -2.621 -17.459 17.641 1.00 0.00 C ATOM 1176 CD2 TYR A 77 -1.101 -17.535 15.807 1.00 0.00 C ATOM 1177 CE1 TYR A 77 -1.564 -17.306 18.517 1.00 0.00 C ATOM 1178 CE2 TYR A 77 -0.038 -17.383 16.675 1.00 0.00 C ATOM 1179 CZ TYR A 77 -0.274 -17.269 18.029 1.00 0.00 C ATOM 1180 OH TYR A 77 0.782 -17.119 18.899 1.00 0.00 O ATOM 0 H TYR A 77 -5.847 -18.241 14.437 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.492 -19.840 14.861 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.232 -17.515 14.307 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.342 -17.014 15.567 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.629 -17.489 18.027 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.912 -17.624 14.747 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.746 -17.216 19.578 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.973 -17.354 16.296 1.00 0.00 H new ATOM 0 HH TYR A 77 1.623 -17.114 18.395 1.00 0.00 H new ATOM 1190 N LYS A 78 -5.647 -19.475 17.238 1.00 0.00 N ATOM 1191 CA LYS A 78 -5.999 -19.870 18.597 1.00 0.00 C ATOM 1192 C LYS A 78 -6.671 -21.240 18.608 1.00 0.00 C ATOM 1193 O LYS A 78 -7.159 -21.711 17.581 1.00 0.00 O ATOM 1194 CB LYS A 78 -6.926 -18.830 19.229 1.00 0.00 C ATOM 1195 CG LYS A 78 -6.197 -17.608 19.761 1.00 0.00 C ATOM 1196 CD LYS A 78 -7.158 -16.618 20.397 1.00 0.00 C ATOM 1197 CE LYS A 78 -6.416 -15.474 21.069 1.00 0.00 C ATOM 1198 NZ LYS A 78 -7.345 -14.545 21.770 1.00 0.00 N ATOM 0 H LYS A 78 -6.426 -19.108 16.691 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.080 -19.930 19.181 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.659 -18.511 18.488 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.479 -19.296 20.044 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.454 -17.918 20.496 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.658 -17.122 18.948 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.829 -16.220 19.636 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.778 -17.132 21.131 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.698 -15.877 21.783 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.846 -14.922 20.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.800 -13.779 22.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.014 -14.140 21.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.871 -15.066 22.501 1.00 0.00 H new ATOM 1212 N SER A 79 -6.693 -21.873 19.776 1.00 0.00 N ATOM 1213 CA SER A 79 -7.303 -23.190 19.920 1.00 0.00 C ATOM 1214 C SER A 79 -7.081 -24.032 18.668 1.00 0.00 C ATOM 1215 O SER A 79 -7.912 -24.867 18.310 1.00 0.00 O ATOM 1216 CB SER A 79 -8.802 -23.053 20.197 1.00 0.00 C ATOM 1217 OG SER A 79 -9.461 -22.402 19.126 1.00 0.00 O ATOM 0 H SER A 79 -6.296 -21.496 20.636 1.00 0.00 H new ATOM 0 HA SER A 79 -6.829 -23.693 20.763 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.238 -24.040 20.350 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.955 -22.490 21.118 1.00 0.00 H new ATOM 0 HG SER A 79 -10.417 -22.328 19.327 1.00 0.00 H new ATOM 1223 N LYS A 80 -5.953 -23.805 18.003 1.00 0.00 N ATOM 1224 CA LYS A 80 -5.618 -24.542 16.790 1.00 0.00 C ATOM 1225 C LYS A 80 -5.723 -26.046 17.021 1.00 0.00 C ATOM 1226 O LYS A 80 -5.905 -26.500 18.150 1.00 0.00 O ATOM 1227 CB LYS A 80 -4.204 -24.184 16.326 1.00 0.00 C ATOM 1228 CG LYS A 80 -3.113 -24.688 17.255 1.00 0.00 C ATOM 1229 CD LYS A 80 -2.892 -23.739 18.421 1.00 0.00 C ATOM 1230 CE LYS A 80 -1.464 -23.817 18.941 1.00 0.00 C ATOM 1231 NZ LYS A 80 -0.496 -23.196 17.996 1.00 0.00 N ATOM 0 H LYS A 80 -5.255 -23.116 18.284 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.331 -24.261 16.015 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.042 -24.598 15.331 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.123 -23.101 16.238 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.383 -25.674 17.633 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.184 -24.804 16.697 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.111 -22.718 18.107 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.587 -23.981 19.225 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.401 -23.316 19.907 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.193 -24.860 19.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.387 -22.976 18.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.297 -23.858 17.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.902 -22.320 17.609 1.00 0.00 H new ATOM 1245 N GLY A 81 -5.606 -26.816 15.943 1.00 0.00 N ATOM 1246 CA GLY A 81 -5.689 -28.261 16.050 1.00 0.00 C ATOM 1247 C GLY A 81 -6.183 -28.909 14.772 1.00 0.00 C ATOM 1248 O GLY A 81 -6.753 -30.000 14.802 1.00 0.00 O ATOM 0 H GLY A 81 -5.455 -26.465 14.997 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.706 -28.661 16.300 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.358 -28.524 16.869 1.00 0.00 H new TER 1252 GLY A 81