USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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+ 136:sc= 0.0161 (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= -0.0646 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.218 X(o=0.22,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= -0.529 (180deg=-0.545) USER MOD Single : A 50 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.56) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 58 GLN : amide:sc= -0.0233 K(o=-0.023,f=-0.7) USER MOD Single : A 61 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-1.7) USER MOD Single : A 62 GLN : amide:sc= -1.8 K(o=-1.8,f=-3.1!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.015) USER MOD Single : A 66 TYR OH : rot 165:sc= -0.131 USER MOD Single : A 67 TYR OH : rot 144:sc= -2.33! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= 0.0958 (180deg=-0.118) USER MOD Single : A 72 GLN : amide:sc= -0.0968 K(o=-0.097,f=-0.6) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -159:sc= 0.00446 (180deg=-0.321) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 87 SER OG : rot 64:sc= 0.0636 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.596 -26.352 8.144 1.00 0.00 N ATOM 2 CA GLY A 1 -6.437 -24.968 7.735 1.00 0.00 C ATOM 3 C GLY A 1 -7.081 -24.683 6.392 1.00 0.00 C ATOM 4 O GLY A 1 -7.068 -25.529 5.498 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.695 -26.708 8.522 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.329 -26.415 8.879 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.878 -26.926 7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.876 -24.316 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.375 -24.727 7.684 1.00 0.00 H new ATOM 8 N SER A 2 -7.647 -23.489 6.251 1.00 0.00 N ATOM 9 CA SER A 2 -8.304 -23.097 5.010 1.00 0.00 C ATOM 10 C SER A 2 -8.700 -21.623 5.047 1.00 0.00 C ATOM 11 O SER A 2 -9.428 -21.187 5.938 1.00 0.00 O ATOM 12 CB SER A 2 -9.542 -23.962 4.768 1.00 0.00 C ATOM 13 OG SER A 2 -9.822 -24.075 3.383 1.00 0.00 O ATOM 0 H SER A 2 -7.664 -22.776 6.981 1.00 0.00 H new ATOM 0 HA SER A 2 -7.599 -23.246 4.192 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.385 -24.954 5.193 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.400 -23.527 5.281 1.00 0.00 H new ATOM 0 HG SER A 2 -10.617 -24.634 3.254 1.00 0.00 H new ATOM 19 N SER A 3 -8.214 -20.862 4.072 1.00 0.00 N ATOM 20 CA SER A 3 -8.512 -19.437 3.993 1.00 0.00 C ATOM 21 C SER A 3 -8.817 -19.024 2.557 1.00 0.00 C ATOM 22 O SER A 3 -8.871 -19.860 1.656 1.00 0.00 O ATOM 23 CB SER A 3 -7.338 -18.618 4.534 1.00 0.00 C ATOM 24 OG SER A 3 -6.296 -18.528 3.578 1.00 0.00 O ATOM 0 H SER A 3 -7.612 -21.209 3.325 1.00 0.00 H new ATOM 0 HA SER A 3 -9.394 -19.241 4.603 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.680 -17.618 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.960 -19.078 5.447 1.00 0.00 H new ATOM 0 HG SER A 3 -5.558 -17.999 3.947 1.00 0.00 H new ATOM 30 N GLY A 4 -9.015 -17.725 2.350 1.00 0.00 N ATOM 31 CA GLY A 4 -9.311 -17.222 1.022 1.00 0.00 C ATOM 32 C GLY A 4 -10.078 -15.915 1.055 1.00 0.00 C ATOM 33 O GLY A 4 -9.880 -15.094 1.950 1.00 0.00 O ATOM 0 H GLY A 4 -8.976 -17.013 3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.379 -17.079 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.891 -17.966 0.476 1.00 0.00 H new ATOM 37 N SER A 5 -10.956 -15.721 0.075 1.00 0.00 N ATOM 38 CA SER A 5 -11.751 -14.502 -0.008 1.00 0.00 C ATOM 39 C SER A 5 -10.854 -13.268 -0.035 1.00 0.00 C ATOM 40 O SER A 5 -9.630 -13.379 -0.104 1.00 0.00 O ATOM 41 CB SER A 5 -12.718 -14.417 1.175 1.00 0.00 C ATOM 42 OG SER A 5 -14.060 -14.314 0.730 1.00 0.00 O ATOM 0 H SER A 5 -11.134 -16.392 -0.672 1.00 0.00 H new ATOM 0 HA SER A 5 -12.323 -14.534 -0.935 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.607 -15.300 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.469 -13.553 1.791 1.00 0.00 H new ATOM 0 HG SER A 5 -14.658 -14.263 1.504 1.00 0.00 H new ATOM 48 N SER A 6 -11.472 -12.093 0.021 1.00 0.00 N ATOM 49 CA SER A 6 -10.731 -10.837 -0.001 1.00 0.00 C ATOM 50 C SER A 6 -9.927 -10.703 -1.291 1.00 0.00 C ATOM 51 O SER A 6 -8.866 -10.081 -1.312 1.00 0.00 O ATOM 52 CB SER A 6 -9.796 -10.751 1.207 1.00 0.00 C ATOM 53 OG SER A 6 -10.304 -11.498 2.299 1.00 0.00 O ATOM 0 H SER A 6 -12.484 -11.984 0.082 1.00 0.00 H new ATOM 0 HA SER A 6 -11.450 -10.019 0.045 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.809 -11.125 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.672 -9.709 1.501 1.00 0.00 H new ATOM 0 HG SER A 6 -9.688 -11.428 3.058 1.00 0.00 H new ATOM 59 N GLY A 7 -10.442 -11.292 -2.366 1.00 0.00 N ATOM 60 CA GLY A 7 -9.761 -11.228 -3.645 1.00 0.00 C ATOM 61 C GLY A 7 -10.381 -10.211 -4.583 1.00 0.00 C ATOM 62 O GLY A 7 -11.494 -9.738 -4.349 1.00 0.00 O ATOM 0 H GLY A 7 -11.319 -11.812 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.713 -10.976 -3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.783 -12.211 -4.114 1.00 0.00 H new ATOM 66 N THR A 8 -9.661 -9.873 -5.647 1.00 0.00 N ATOM 67 CA THR A 8 -10.146 -8.904 -6.622 1.00 0.00 C ATOM 68 C THR A 8 -9.676 -9.256 -8.028 1.00 0.00 C ATOM 69 O THR A 8 -8.531 -9.663 -8.227 1.00 0.00 O ATOM 70 CB THR A 8 -9.676 -7.477 -6.277 1.00 0.00 C ATOM 71 OG1 THR A 8 -8.388 -7.523 -5.653 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.669 -6.789 -5.353 1.00 0.00 C ATOM 0 H THR A 8 -8.739 -10.256 -5.856 1.00 0.00 H new ATOM 0 HA THR A 8 -11.235 -8.938 -6.587 1.00 0.00 H new ATOM 0 HB THR A 8 -9.610 -6.906 -7.203 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.096 -6.613 -5.439 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.316 -5.784 -5.123 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.641 -6.729 -5.843 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.763 -7.360 -4.429 1.00 0.00 H new ATOM 80 N SER A 9 -10.566 -9.095 -9.002 1.00 0.00 N ATOM 81 CA SER A 9 -10.242 -9.400 -10.391 1.00 0.00 C ATOM 82 C SER A 9 -10.101 -8.119 -11.209 1.00 0.00 C ATOM 83 O SER A 9 -11.093 -7.537 -11.646 1.00 0.00 O ATOM 84 CB SER A 9 -11.322 -10.294 -11.004 1.00 0.00 C ATOM 85 OG SER A 9 -10.753 -11.454 -11.585 1.00 0.00 O ATOM 0 H SER A 9 -11.517 -8.755 -8.855 1.00 0.00 H new ATOM 0 HA SER A 9 -9.289 -9.929 -10.409 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.039 -10.583 -10.236 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.873 -9.737 -11.761 1.00 0.00 H new ATOM 0 HG SER A 9 -11.463 -12.010 -11.968 1.00 0.00 H new ATOM 91 N ALA A 10 -8.861 -7.688 -11.412 1.00 0.00 N ATOM 92 CA ALA A 10 -8.588 -6.479 -12.178 1.00 0.00 C ATOM 93 C ALA A 10 -7.262 -6.588 -12.923 1.00 0.00 C ATOM 94 O ALA A 10 -6.271 -7.078 -12.380 1.00 0.00 O ATOM 95 CB ALA A 10 -8.583 -5.263 -11.263 1.00 0.00 C ATOM 0 H ALA A 10 -8.029 -8.159 -11.056 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.381 -6.361 -12.916 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.378 -4.367 -11.849 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.556 -5.166 -10.781 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.812 -5.383 -10.502 1.00 0.00 H new ATOM 101 N LEU A 11 -7.250 -6.130 -14.170 1.00 0.00 N ATOM 102 CA LEU A 11 -6.045 -6.177 -14.991 1.00 0.00 C ATOM 103 C LEU A 11 -5.642 -4.779 -15.447 1.00 0.00 C ATOM 104 O LEU A 11 -6.326 -4.159 -16.261 1.00 0.00 O ATOM 105 CB LEU A 11 -6.267 -7.078 -16.207 1.00 0.00 C ATOM 106 CG LEU A 11 -5.012 -7.480 -16.983 1.00 0.00 C ATOM 107 CD1 LEU A 11 -5.254 -8.764 -17.761 1.00 0.00 C ATOM 108 CD2 LEU A 11 -4.583 -6.360 -17.920 1.00 0.00 C ATOM 0 H LEU A 11 -8.061 -5.722 -14.635 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.238 -6.588 -14.384 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.770 -7.986 -15.874 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.946 -6.570 -16.892 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.208 -7.658 -16.269 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.350 -9.034 -18.307 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.513 -9.565 -17.069 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.072 -8.614 -18.465 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.689 -6.663 -18.464 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.385 -6.151 -18.628 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.368 -5.463 -17.340 1.00 0.00 H new ATOM 120 N ALA A 12 -4.525 -4.288 -14.919 1.00 0.00 N ATOM 121 CA ALA A 12 -4.029 -2.965 -15.275 1.00 0.00 C ATOM 122 C ALA A 12 -2.527 -2.995 -15.537 1.00 0.00 C ATOM 123 O ALA A 12 -1.802 -3.857 -15.040 1.00 0.00 O ATOM 124 CB ALA A 12 -4.354 -1.965 -14.175 1.00 0.00 C ATOM 0 H ALA A 12 -3.947 -4.787 -14.243 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.526 -2.653 -16.193 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.977 -0.981 -14.455 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.434 -1.914 -14.037 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.884 -2.282 -13.244 1.00 0.00 H new ATOM 130 N PRO A 13 -2.046 -2.031 -16.338 1.00 0.00 N ATOM 131 CA PRO A 13 -0.626 -1.926 -16.684 1.00 0.00 C ATOM 132 C PRO A 13 0.231 -1.503 -15.496 1.00 0.00 C ATOM 133 O PRO A 13 -0.287 -1.198 -14.422 1.00 0.00 O ATOM 134 CB PRO A 13 -0.605 -0.847 -17.770 1.00 0.00 C ATOM 135 CG PRO A 13 -1.819 -0.024 -17.510 1.00 0.00 C ATOM 136 CD PRO A 13 -2.852 -0.971 -16.965 1.00 0.00 C ATOM 0 HA PRO A 13 -0.213 -2.882 -17.005 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.302 -0.245 -17.712 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.632 -1.288 -18.767 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.605 0.773 -16.797 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.171 0.453 -18.425 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.504 -0.481 -16.242 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.491 -1.366 -17.755 1.00 0.00 H new ATOM 144 N VAL A 14 1.545 -1.485 -15.697 1.00 0.00 N ATOM 145 CA VAL A 14 2.474 -1.098 -14.642 1.00 0.00 C ATOM 146 C VAL A 14 3.112 0.254 -14.941 1.00 0.00 C ATOM 147 O VAL A 14 3.460 0.549 -16.084 1.00 0.00 O ATOM 148 CB VAL A 14 3.586 -2.148 -14.459 1.00 0.00 C ATOM 149 CG1 VAL A 14 4.440 -2.245 -15.714 1.00 0.00 C ATOM 150 CG2 VAL A 14 4.441 -1.812 -13.247 1.00 0.00 C ATOM 0 H VAL A 14 1.990 -1.734 -16.580 1.00 0.00 H new ATOM 0 HA VAL A 14 1.895 -1.029 -13.721 1.00 0.00 H new ATOM 0 HB VAL A 14 3.121 -3.119 -14.289 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.220 -2.992 -15.566 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.815 -2.536 -16.558 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.898 -1.277 -15.918 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.222 -2.564 -13.133 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.898 -0.832 -13.385 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.817 -1.798 -12.354 1.00 0.00 H new ATOM 160 N ALA A 15 3.261 1.074 -13.906 1.00 0.00 N ATOM 161 CA ALA A 15 3.860 2.394 -14.057 1.00 0.00 C ATOM 162 C ALA A 15 5.089 2.545 -13.168 1.00 0.00 C ATOM 163 O ALA A 15 5.326 1.731 -12.276 1.00 0.00 O ATOM 164 CB ALA A 15 2.839 3.476 -13.736 1.00 0.00 C ATOM 0 H ALA A 15 2.975 0.847 -12.954 1.00 0.00 H new ATOM 0 HA ALA A 15 4.178 2.505 -15.094 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.300 4.457 -13.853 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.991 3.390 -14.416 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.494 3.357 -12.709 1.00 0.00 H new ATOM 170 N ALA A 16 5.870 3.592 -13.417 1.00 0.00 N ATOM 171 CA ALA A 16 7.074 3.849 -12.638 1.00 0.00 C ATOM 172 C ALA A 16 6.755 4.656 -11.384 1.00 0.00 C ATOM 173 O ALA A 16 6.211 5.757 -11.466 1.00 0.00 O ATOM 174 CB ALA A 16 8.106 4.576 -13.488 1.00 0.00 C ATOM 0 H ALA A 16 5.690 4.275 -14.152 1.00 0.00 H new ATOM 0 HA ALA A 16 7.487 2.890 -12.325 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.001 4.762 -12.894 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.364 3.962 -14.351 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.693 5.525 -13.829 1.00 0.00 H new ATOM 180 N ILE A 17 7.097 4.101 -10.226 1.00 0.00 N ATOM 181 CA ILE A 17 6.847 4.770 -8.956 1.00 0.00 C ATOM 182 C ILE A 17 7.756 5.983 -8.785 1.00 0.00 C ATOM 183 O ILE A 17 8.913 5.967 -9.204 1.00 0.00 O ATOM 184 CB ILE A 17 7.055 3.815 -7.766 1.00 0.00 C ATOM 185 CG1 ILE A 17 6.133 2.600 -7.892 1.00 0.00 C ATOM 186 CG2 ILE A 17 6.807 4.542 -6.453 1.00 0.00 C ATOM 187 CD1 ILE A 17 6.782 1.416 -8.573 1.00 0.00 C ATOM 0 H ILE A 17 7.548 3.190 -10.142 1.00 0.00 H new ATOM 0 HA ILE A 17 5.807 5.097 -8.971 1.00 0.00 H new ATOM 0 HB ILE A 17 8.088 3.466 -7.775 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.803 2.300 -6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.242 2.887 -8.451 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.958 3.853 -5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.501 5.377 -6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.784 4.917 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.070 0.592 -8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.088 1.698 -9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.657 1.103 -8.003 1.00 0.00 H new ATOM 199 N ILE A 18 7.224 7.031 -8.165 1.00 0.00 N ATOM 200 CA ILE A 18 7.988 8.251 -7.936 1.00 0.00 C ATOM 201 C ILE A 18 8.538 8.296 -6.514 1.00 0.00 C ATOM 202 O ILE A 18 7.830 8.042 -5.540 1.00 0.00 O ATOM 203 CB ILE A 18 7.131 9.506 -8.183 1.00 0.00 C ATOM 204 CG1 ILE A 18 6.549 9.483 -9.598 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.960 10.764 -7.966 1.00 0.00 C ATOM 206 CD1 ILE A 18 5.649 10.660 -9.900 1.00 0.00 C ATOM 0 H ILE A 18 6.267 7.060 -7.812 1.00 0.00 H new ATOM 0 HA ILE A 18 8.817 8.242 -8.644 1.00 0.00 H new ATOM 0 HB ILE A 18 6.306 9.510 -7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.367 9.467 -10.318 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.985 8.560 -9.735 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.341 11.643 -8.144 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.331 10.783 -6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.803 10.768 -8.657 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.273 10.578 -10.920 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.811 10.665 -9.203 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.214 11.586 -9.795 1.00 0.00 H new ATOM 218 N PRO A 19 9.832 8.628 -6.391 1.00 0.00 N ATOM 219 CA PRO A 19 10.506 8.717 -5.092 1.00 0.00 C ATOM 220 C PRO A 19 10.020 9.904 -4.267 1.00 0.00 C ATOM 221 O PRO A 19 10.388 11.053 -4.513 1.00 0.00 O ATOM 222 CB PRO A 19 11.979 8.894 -5.468 1.00 0.00 C ATOM 223 CG PRO A 19 11.952 9.505 -6.826 1.00 0.00 C ATOM 224 CD PRO A 19 10.736 8.944 -7.509 1.00 0.00 C ATOM 0 HA PRO A 19 10.313 7.842 -4.472 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.495 9.537 -4.755 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.504 7.939 -5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.898 10.592 -6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.858 9.262 -7.381 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.291 9.666 -8.194 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.977 8.056 -8.094 1.00 0.00 H new ATOM 232 N PRO A 20 9.175 9.623 -3.264 1.00 0.00 N ATOM 233 CA PRO A 20 8.622 10.655 -2.382 1.00 0.00 C ATOM 234 C PRO A 20 9.677 11.252 -1.456 1.00 0.00 C ATOM 235 O PRO A 20 10.783 10.731 -1.319 1.00 0.00 O ATOM 236 CB PRO A 20 7.565 9.901 -1.572 1.00 0.00 C ATOM 237 CG PRO A 20 8.019 8.482 -1.586 1.00 0.00 C ATOM 238 CD PRO A 20 8.694 8.276 -2.914 1.00 0.00 C ATOM 0 HA PRO A 20 8.225 11.501 -2.943 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.498 10.285 -0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.576 10.005 -2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.707 8.284 -0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.176 7.801 -1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.515 7.562 -2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.001 7.890 -3.662 1.00 0.00 H new ATOM 246 N PRO A 21 9.328 12.371 -0.805 1.00 0.00 N ATOM 247 CA PRO A 21 10.230 13.063 0.120 1.00 0.00 C ATOM 248 C PRO A 21 10.463 12.272 1.403 1.00 0.00 C ATOM 249 O PRO A 21 9.765 11.302 1.698 1.00 0.00 O ATOM 250 CB PRO A 21 9.494 14.370 0.424 1.00 0.00 C ATOM 251 CG PRO A 21 8.056 14.056 0.194 1.00 0.00 C ATOM 252 CD PRO A 21 8.025 13.048 -0.920 1.00 0.00 C ATOM 0 HA PRO A 21 11.221 13.207 -0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.669 14.694 1.450 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.833 15.176 -0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.595 13.654 1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.499 14.953 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.197 12.348 -0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.905 13.527 -1.892 1.00 0.00 H new ATOM 260 N PRO A 22 11.468 12.694 2.185 1.00 0.00 N ATOM 261 CA PRO A 22 11.815 12.039 3.450 1.00 0.00 C ATOM 262 C PRO A 22 10.756 12.256 4.525 1.00 0.00 C ATOM 263 O PRO A 22 10.775 11.605 5.570 1.00 0.00 O ATOM 264 CB PRO A 22 13.129 12.714 3.850 1.00 0.00 C ATOM 265 CG PRO A 22 13.088 14.046 3.185 1.00 0.00 C ATOM 266 CD PRO A 22 12.342 13.843 1.896 1.00 0.00 C ATOM 0 HA PRO A 22 11.891 10.957 3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.209 12.814 4.932 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.990 12.133 3.519 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.586 14.781 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.095 14.420 2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.766 14.727 1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.020 13.634 1.068 1.00 0.00 H new ATOM 274 N ASP A 23 9.832 13.174 4.263 1.00 0.00 N ATOM 275 CA ASP A 23 8.764 13.476 5.208 1.00 0.00 C ATOM 276 C ASP A 23 7.589 12.520 5.024 1.00 0.00 C ATOM 277 O ASP A 23 6.819 12.280 5.954 1.00 0.00 O ATOM 278 CB ASP A 23 8.293 14.921 5.033 1.00 0.00 C ATOM 279 CG ASP A 23 7.487 15.414 6.219 1.00 0.00 C ATOM 280 OD1 ASP A 23 6.453 14.789 6.535 1.00 0.00 O ATOM 281 OD2 ASP A 23 7.890 16.426 6.831 1.00 0.00 O ATOM 0 H ASP A 23 9.801 13.722 3.403 1.00 0.00 H new ATOM 0 HA ASP A 23 9.158 13.349 6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.159 15.568 4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.688 14.996 4.129 1.00 0.00 H new ATOM 286 N VAL A 24 7.458 11.977 3.818 1.00 0.00 N ATOM 287 CA VAL A 24 6.378 11.047 3.511 1.00 0.00 C ATOM 288 C VAL A 24 6.904 9.624 3.363 1.00 0.00 C ATOM 289 O VAL A 24 6.159 8.657 3.523 1.00 0.00 O ATOM 290 CB VAL A 24 5.642 11.448 2.219 1.00 0.00 C ATOM 291 CG1 VAL A 24 4.521 10.465 1.917 1.00 0.00 C ATOM 292 CG2 VAL A 24 5.103 12.866 2.332 1.00 0.00 C ATOM 0 H VAL A 24 8.087 12.165 3.037 1.00 0.00 H new ATOM 0 HA VAL A 24 5.678 11.088 4.346 1.00 0.00 H new ATOM 0 HB VAL A 24 6.352 11.418 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.012 10.764 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.938 9.466 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.809 10.460 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.586 13.133 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.407 12.925 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.929 13.557 2.498 1.00 0.00 H new ATOM 302 N GLN A 25 8.192 9.503 3.056 1.00 0.00 N ATOM 303 CA GLN A 25 8.817 8.197 2.886 1.00 0.00 C ATOM 304 C GLN A 25 8.540 7.300 4.087 1.00 0.00 C ATOM 305 O GLN A 25 8.002 6.200 3.960 1.00 0.00 O ATOM 306 CB GLN A 25 10.326 8.353 2.688 1.00 0.00 C ATOM 307 CG GLN A 25 10.801 7.957 1.299 1.00 0.00 C ATOM 308 CD GLN A 25 12.308 8.040 1.152 1.00 0.00 C ATOM 309 OE1 GLN A 25 12.988 8.677 1.958 1.00 0.00 O ATOM 310 NE2 GLN A 25 12.839 7.395 0.120 1.00 0.00 N ATOM 0 H GLN A 25 8.822 10.293 2.920 1.00 0.00 H new ATOM 0 HA GLN A 25 8.387 7.729 2.000 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.604 9.390 2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.846 7.745 3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.474 6.940 1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.331 8.606 0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.238 6.880 -0.523 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.848 7.415 -0.030 1.00 0.00 H new ATOM 319 N PRO A 26 8.915 7.779 5.283 1.00 0.00 N ATOM 320 CA PRO A 26 8.716 7.036 6.531 1.00 0.00 C ATOM 321 C PRO A 26 7.245 6.940 6.921 1.00 0.00 C ATOM 322 O PRO A 26 6.869 6.134 7.772 1.00 0.00 O ATOM 323 CB PRO A 26 9.491 7.861 7.562 1.00 0.00 C ATOM 324 CG PRO A 26 9.513 9.241 7.003 1.00 0.00 C ATOM 325 CD PRO A 26 9.561 9.083 5.508 1.00 0.00 C ATOM 0 HA PRO A 26 9.055 6.003 6.449 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.003 7.836 8.536 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.500 7.474 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.628 9.799 7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.380 9.795 7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.029 9.888 5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.585 9.094 5.135 1.00 0.00 H new ATOM 333 N VAL A 27 6.416 7.768 6.293 1.00 0.00 N ATOM 334 CA VAL A 27 4.986 7.776 6.573 1.00 0.00 C ATOM 335 C VAL A 27 4.269 6.673 5.803 1.00 0.00 C ATOM 336 O VAL A 27 3.207 6.203 6.215 1.00 0.00 O ATOM 337 CB VAL A 27 4.351 9.133 6.215 1.00 0.00 C ATOM 338 CG1 VAL A 27 2.854 9.109 6.484 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.022 10.256 6.991 1.00 0.00 C ATOM 0 H VAL A 27 6.711 8.442 5.587 1.00 0.00 H new ATOM 0 HA VAL A 27 4.872 7.601 7.643 1.00 0.00 H new ATOM 0 HB VAL A 27 4.502 9.316 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.422 10.076 6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.388 8.330 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.677 8.904 7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.561 11.207 6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.903 10.081 8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.083 10.286 6.744 1.00 0.00 H new ATOM 349 N ILE A 28 4.855 6.263 4.684 1.00 0.00 N ATOM 350 CA ILE A 28 4.273 5.214 3.856 1.00 0.00 C ATOM 351 C ILE A 28 4.813 3.842 4.247 1.00 0.00 C ATOM 352 O ILE A 28 4.091 2.846 4.213 1.00 0.00 O ATOM 353 CB ILE A 28 4.552 5.456 2.361 1.00 0.00 C ATOM 354 CG1 ILE A 28 3.992 6.812 1.929 1.00 0.00 C ATOM 355 CG2 ILE A 28 3.951 4.337 1.523 1.00 0.00 C ATOM 356 CD1 ILE A 28 4.392 7.212 0.526 1.00 0.00 C ATOM 0 H ILE A 28 5.733 6.641 4.329 1.00 0.00 H new ATOM 0 HA ILE A 28 3.196 5.240 4.025 1.00 0.00 H new ATOM 0 HB ILE A 28 5.631 5.463 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.904 6.784 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.334 7.576 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.156 4.522 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.392 3.385 1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.873 4.302 1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.959 8.184 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.478 7.273 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.027 6.468 -0.182 1.00 0.00 H new ATOM 368 N ASP A 29 6.087 3.799 4.620 1.00 0.00 N ATOM 369 CA ASP A 29 6.725 2.550 5.022 1.00 0.00 C ATOM 370 C ASP A 29 6.262 2.125 6.411 1.00 0.00 C ATOM 371 O ASP A 29 6.003 0.947 6.658 1.00 0.00 O ATOM 372 CB ASP A 29 8.247 2.700 5.001 1.00 0.00 C ATOM 373 CG ASP A 29 8.956 1.482 5.558 1.00 0.00 C ATOM 374 OD1 ASP A 29 8.903 1.274 6.789 1.00 0.00 O ATOM 375 OD2 ASP A 29 9.564 0.735 4.763 1.00 0.00 O ATOM 0 H ASP A 29 6.699 4.614 4.653 1.00 0.00 H new ATOM 0 HA ASP A 29 6.434 1.777 4.310 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.578 2.873 3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.531 3.579 5.580 1.00 0.00 H new ATOM 380 N LYS A 30 6.160 3.093 7.317 1.00 0.00 N ATOM 381 CA LYS A 30 5.728 2.820 8.683 1.00 0.00 C ATOM 382 C LYS A 30 4.418 2.040 8.694 1.00 0.00 C ATOM 383 O LYS A 30 4.158 1.256 9.608 1.00 0.00 O ATOM 384 CB LYS A 30 5.561 4.130 9.457 1.00 0.00 C ATOM 385 CG LYS A 30 5.079 3.935 10.884 1.00 0.00 C ATOM 386 CD LYS A 30 3.569 4.067 10.986 1.00 0.00 C ATOM 387 CE LYS A 30 3.162 4.903 12.189 1.00 0.00 C ATOM 388 NZ LYS A 30 3.289 6.362 11.919 1.00 0.00 N ATOM 0 H LYS A 30 6.371 4.073 7.129 1.00 0.00 H new ATOM 0 HA LYS A 30 6.494 2.214 9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.515 4.657 9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.854 4.768 8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.384 2.951 11.241 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.554 4.671 11.533 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.181 4.524 10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.121 3.076 11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.132 4.672 12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.784 4.636 13.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.002 6.898 12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.277 6.587 11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.676 6.622 11.120 1.00 0.00 H new ATOM 402 N LEU A 31 3.597 2.257 7.672 1.00 0.00 N ATOM 403 CA LEU A 31 2.313 1.572 7.563 1.00 0.00 C ATOM 404 C LEU A 31 2.472 0.226 6.865 1.00 0.00 C ATOM 405 O LEU A 31 1.756 -0.729 7.166 1.00 0.00 O ATOM 406 CB LEU A 31 1.313 2.441 6.799 1.00 0.00 C ATOM 407 CG LEU A 31 -0.102 1.876 6.665 1.00 0.00 C ATOM 408 CD1 LEU A 31 -0.683 1.560 8.034 1.00 0.00 C ATOM 409 CD2 LEU A 31 -0.997 2.852 5.916 1.00 0.00 C ATOM 0 H LEU A 31 3.797 2.902 6.907 1.00 0.00 H new ATOM 0 HA LEU A 31 1.936 1.395 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.250 3.410 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.707 2.620 5.799 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.050 0.950 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.690 1.159 7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.055 0.823 8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.722 2.471 8.632 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.000 2.434 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.043 3.795 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.590 3.028 4.920 1.00 0.00 H new ATOM 421 N ALA A 32 3.416 0.156 5.932 1.00 0.00 N ATOM 422 CA ALA A 32 3.672 -1.074 5.195 1.00 0.00 C ATOM 423 C ALA A 32 4.127 -2.190 6.129 1.00 0.00 C ATOM 424 O ALA A 32 3.659 -3.324 6.030 1.00 0.00 O ATOM 425 CB ALA A 32 4.713 -0.834 4.111 1.00 0.00 C ATOM 0 H ALA A 32 4.016 0.938 5.669 1.00 0.00 H new ATOM 0 HA ALA A 32 2.739 -1.386 4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.894 -1.762 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.349 -0.074 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.642 -0.494 4.568 1.00 0.00 H new ATOM 431 N GLU A 33 5.042 -1.861 7.035 1.00 0.00 N ATOM 432 CA GLU A 33 5.561 -2.838 7.986 1.00 0.00 C ATOM 433 C GLU A 33 4.455 -3.333 8.914 1.00 0.00 C ATOM 434 O GLU A 33 4.472 -4.481 9.360 1.00 0.00 O ATOM 435 CB GLU A 33 6.697 -2.228 8.809 1.00 0.00 C ATOM 436 CG GLU A 33 7.448 -3.242 9.655 1.00 0.00 C ATOM 437 CD GLU A 33 8.628 -2.631 10.388 1.00 0.00 C ATOM 438 OE1 GLU A 33 8.464 -1.536 10.965 1.00 0.00 O ATOM 439 OE2 GLU A 33 9.713 -3.249 10.383 1.00 0.00 O ATOM 0 H GLU A 33 5.439 -0.926 7.131 1.00 0.00 H new ATOM 0 HA GLU A 33 5.947 -3.687 7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.400 -1.738 8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.288 -1.456 9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.764 -3.683 10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.801 -4.052 9.017 1.00 0.00 H new ATOM 446 N TYR A 34 3.497 -2.460 9.201 1.00 0.00 N ATOM 447 CA TYR A 34 2.385 -2.806 10.079 1.00 0.00 C ATOM 448 C TYR A 34 1.364 -3.673 9.348 1.00 0.00 C ATOM 449 O TYR A 34 0.795 -4.601 9.922 1.00 0.00 O ATOM 450 CB TYR A 34 1.710 -1.539 10.607 1.00 0.00 C ATOM 451 CG TYR A 34 1.133 -1.694 11.996 1.00 0.00 C ATOM 452 CD1 TYR A 34 1.949 -1.644 13.119 1.00 0.00 C ATOM 453 CD2 TYR A 34 -0.230 -1.890 12.185 1.00 0.00 C ATOM 454 CE1 TYR A 34 1.426 -1.786 14.389 1.00 0.00 C ATOM 455 CE2 TYR A 34 -0.762 -2.032 13.452 1.00 0.00 C ATOM 456 CZ TYR A 34 0.070 -1.979 14.550 1.00 0.00 C ATOM 457 OH TYR A 34 -0.456 -2.120 15.814 1.00 0.00 O ATOM 0 H TYR A 34 3.467 -1.507 8.839 1.00 0.00 H new ATOM 0 HA TYR A 34 2.783 -3.374 10.920 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.436 -0.726 10.613 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.913 -1.250 9.922 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.011 -1.491 12.997 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.884 -1.932 11.327 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.075 -1.746 15.251 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.823 -2.184 13.582 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.426 -2.247 15.752 1.00 0.00 H new ATOM 467 N VAL A 35 1.136 -3.361 8.076 1.00 0.00 N ATOM 468 CA VAL A 35 0.185 -4.111 7.264 1.00 0.00 C ATOM 469 C VAL A 35 0.747 -5.475 6.879 1.00 0.00 C ATOM 470 O VAL A 35 -0.002 -6.425 6.653 1.00 0.00 O ATOM 471 CB VAL A 35 -0.188 -3.342 5.982 1.00 0.00 C ATOM 472 CG1 VAL A 35 -1.168 -4.147 5.143 1.00 0.00 C ATOM 473 CG2 VAL A 35 -0.765 -1.978 6.329 1.00 0.00 C ATOM 0 H VAL A 35 1.597 -2.594 7.586 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.710 -4.248 7.871 1.00 0.00 H new ATOM 0 HB VAL A 35 0.717 -3.189 5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.420 -3.588 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.714 -5.098 4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.074 -4.333 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.023 -1.448 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.660 -2.106 6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.026 -1.401 6.886 1.00 0.00 H new ATOM 483 N ALA A 36 2.071 -5.565 6.807 1.00 0.00 N ATOM 484 CA ALA A 36 2.734 -6.814 6.452 1.00 0.00 C ATOM 485 C ALA A 36 2.803 -7.758 7.647 1.00 0.00 C ATOM 486 O ALA A 36 2.857 -8.977 7.485 1.00 0.00 O ATOM 487 CB ALA A 36 4.130 -6.536 5.914 1.00 0.00 C ATOM 0 H ALA A 36 2.706 -4.788 6.990 1.00 0.00 H new ATOM 0 HA ALA A 36 2.147 -7.300 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.613 -7.477 5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.059 -5.906 5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.719 -6.025 6.676 1.00 0.00 H new ATOM 493 N ARG A 37 2.803 -7.186 8.847 1.00 0.00 N ATOM 494 CA ARG A 37 2.868 -7.977 10.070 1.00 0.00 C ATOM 495 C ARG A 37 1.474 -8.417 10.508 1.00 0.00 C ATOM 496 O ARG A 37 1.229 -9.601 10.736 1.00 0.00 O ATOM 497 CB ARG A 37 3.535 -7.173 11.188 1.00 0.00 C ATOM 498 CG ARG A 37 4.926 -7.669 11.548 1.00 0.00 C ATOM 499 CD ARG A 37 5.845 -6.520 11.931 1.00 0.00 C ATOM 500 NE ARG A 37 6.010 -6.410 13.377 1.00 0.00 N ATOM 501 CZ ARG A 37 6.849 -5.560 13.959 1.00 0.00 C ATOM 502 NH1 ARG A 37 7.595 -4.750 13.220 1.00 0.00 N ATOM 503 NH2 ARG A 37 6.943 -5.518 15.282 1.00 0.00 N ATOM 0 H ARG A 37 2.759 -6.178 8.998 1.00 0.00 H new ATOM 0 HA ARG A 37 3.464 -8.867 9.866 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.598 -6.128 10.885 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.904 -7.209 12.076 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.859 -8.374 12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.351 -8.210 10.702 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.820 -6.665 11.465 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.440 -5.586 11.540 1.00 0.00 H new ATOM 0 HE ARG A 37 5.450 -7.019 13.974 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.525 -4.779 12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.238 -4.098 13.669 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.371 -6.139 15.854 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.588 -4.865 15.727 1.00 0.00 H new ATOM 517 N ASN A 38 0.564 -7.455 10.622 1.00 0.00 N ATOM 518 CA ASN A 38 -0.805 -7.743 11.034 1.00 0.00 C ATOM 519 C ASN A 38 -1.562 -8.476 9.930 1.00 0.00 C ATOM 520 O ASN A 38 -1.982 -9.619 10.105 1.00 0.00 O ATOM 521 CB ASN A 38 -1.535 -6.447 11.394 1.00 0.00 C ATOM 522 CG ASN A 38 -1.137 -5.919 12.758 1.00 0.00 C ATOM 523 OD1 ASN A 38 -1.748 -6.260 13.771 1.00 0.00 O ATOM 524 ND2 ASN A 38 -0.107 -5.082 12.791 1.00 0.00 N ATOM 0 H ASN A 38 0.750 -6.470 10.435 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.766 -8.386 11.913 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.321 -5.691 10.638 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.611 -6.622 11.375 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.207 -4.694 13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.370 -4.827 11.927 1.00 0.00 H new ATOM 531 N GLY A 39 -1.732 -7.810 8.792 1.00 0.00 N ATOM 532 CA GLY A 39 -2.437 -8.413 7.677 1.00 0.00 C ATOM 533 C GLY A 39 -3.039 -7.381 6.744 1.00 0.00 C ATOM 534 O GLY A 39 -3.147 -6.205 7.095 1.00 0.00 O ATOM 0 H GLY A 39 -1.394 -6.863 8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.750 -9.047 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.228 -9.059 8.058 1.00 0.00 H new ATOM 538 N LEU A 40 -3.430 -7.819 5.553 1.00 0.00 N ATOM 539 CA LEU A 40 -4.023 -6.923 4.566 1.00 0.00 C ATOM 540 C LEU A 40 -5.342 -6.350 5.074 1.00 0.00 C ATOM 541 O LEU A 40 -5.747 -5.255 4.682 1.00 0.00 O ATOM 542 CB LEU A 40 -4.251 -7.665 3.247 1.00 0.00 C ATOM 543 CG LEU A 40 -3.188 -7.456 2.168 1.00 0.00 C ATOM 544 CD1 LEU A 40 -2.631 -8.792 1.702 1.00 0.00 C ATOM 545 CD2 LEU A 40 -3.766 -6.679 0.994 1.00 0.00 C ATOM 0 H LEU A 40 -3.347 -8.788 5.247 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.330 -6.098 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.319 -8.732 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.216 -7.359 2.843 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.372 -6.875 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.876 -8.623 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.180 -9.313 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.438 -9.399 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.996 -6.539 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.601 -7.234 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.116 -5.706 1.339 1.00 0.00 H new ATOM 557 N LYS A 41 -6.007 -7.095 5.950 1.00 0.00 N ATOM 558 CA LYS A 41 -7.279 -6.660 6.516 1.00 0.00 C ATOM 559 C LYS A 41 -7.153 -5.270 7.131 1.00 0.00 C ATOM 560 O LYS A 41 -8.121 -4.511 7.176 1.00 0.00 O ATOM 561 CB LYS A 41 -7.757 -7.657 7.574 1.00 0.00 C ATOM 562 CG LYS A 41 -6.744 -7.906 8.677 1.00 0.00 C ATOM 563 CD LYS A 41 -7.101 -9.136 9.495 1.00 0.00 C ATOM 564 CE LYS A 41 -6.481 -10.395 8.910 1.00 0.00 C ATOM 565 NZ LYS A 41 -7.476 -11.494 8.779 1.00 0.00 N ATOM 0 H LYS A 41 -5.686 -8.004 6.284 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.012 -6.616 5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.681 -7.287 8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.993 -8.604 7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.753 -8.033 8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.695 -7.035 9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.758 -9.004 10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.185 -9.247 9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.057 -10.170 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.659 -10.724 9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.014 -12.334 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.862 -11.726 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.248 -11.190 8.152 1.00 0.00 H new ATOM 579 N PHE A 42 -5.955 -4.943 7.604 1.00 0.00 N ATOM 580 CA PHE A 42 -5.703 -3.644 8.217 1.00 0.00 C ATOM 581 C PHE A 42 -5.785 -2.529 7.179 1.00 0.00 C ATOM 582 O PHE A 42 -6.297 -1.445 7.457 1.00 0.00 O ATOM 583 CB PHE A 42 -4.329 -3.631 8.890 1.00 0.00 C ATOM 584 CG PHE A 42 -4.081 -2.406 9.722 1.00 0.00 C ATOM 585 CD1 PHE A 42 -3.614 -1.239 9.139 1.00 0.00 C ATOM 586 CD2 PHE A 42 -4.314 -2.422 11.088 1.00 0.00 C ATOM 587 CE1 PHE A 42 -3.384 -0.111 9.904 1.00 0.00 C ATOM 588 CE2 PHE A 42 -4.086 -1.297 11.858 1.00 0.00 C ATOM 589 CZ PHE A 42 -3.622 -0.139 11.264 1.00 0.00 C ATOM 0 H PHE A 42 -5.143 -5.560 7.575 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.470 -3.471 8.972 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.234 -4.515 9.521 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.557 -3.702 8.124 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.428 -1.210 8.076 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.678 -3.324 11.557 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.018 0.792 9.438 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.270 -1.323 12.922 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.446 0.743 11.862 1.00 0.00 H new ATOM 599 N GLU A 43 -5.275 -2.803 5.983 1.00 0.00 N ATOM 600 CA GLU A 43 -5.288 -1.822 4.904 1.00 0.00 C ATOM 601 C GLU A 43 -6.706 -1.327 4.636 1.00 0.00 C ATOM 602 O GLU A 43 -6.908 -0.201 4.181 1.00 0.00 O ATOM 603 CB GLU A 43 -4.698 -2.426 3.628 1.00 0.00 C ATOM 604 CG GLU A 43 -4.409 -1.400 2.546 1.00 0.00 C ATOM 605 CD GLU A 43 -3.888 -2.030 1.268 1.00 0.00 C ATOM 606 OE1 GLU A 43 -3.866 -3.276 1.188 1.00 0.00 O ATOM 607 OE2 GLU A 43 -3.504 -1.277 0.349 1.00 0.00 O ATOM 0 H GLU A 43 -4.848 -3.696 5.736 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.677 -0.973 5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.775 -2.949 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.390 -3.171 3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.320 -0.843 2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.677 -0.682 2.917 1.00 0.00 H new ATOM 614 N THR A 44 -7.688 -2.177 4.923 1.00 0.00 N ATOM 615 CA THR A 44 -9.087 -1.828 4.712 1.00 0.00 C ATOM 616 C THR A 44 -9.569 -0.833 5.762 1.00 0.00 C ATOM 617 O THR A 44 -10.471 -0.034 5.506 1.00 0.00 O ATOM 618 CB THR A 44 -9.989 -3.076 4.752 1.00 0.00 C ATOM 619 OG1 THR A 44 -9.563 -4.020 3.763 1.00 0.00 O ATOM 620 CG2 THR A 44 -11.443 -2.700 4.509 1.00 0.00 C ATOM 0 H THR A 44 -7.539 -3.112 5.302 1.00 0.00 H new ATOM 0 HA THR A 44 -9.154 -1.372 3.724 1.00 0.00 H new ATOM 0 HB THR A 44 -9.907 -3.526 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.140 -4.811 3.796 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.061 -3.597 4.542 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.773 -2.004 5.280 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.538 -2.229 3.531 1.00 0.00 H new ATOM 628 N SER A 45 -8.963 -0.885 6.943 1.00 0.00 N ATOM 629 CA SER A 45 -9.333 0.010 8.033 1.00 0.00 C ATOM 630 C SER A 45 -8.806 1.419 7.781 1.00 0.00 C ATOM 631 O SER A 45 -9.562 2.391 7.802 1.00 0.00 O ATOM 632 CB SER A 45 -8.792 -0.519 9.362 1.00 0.00 C ATOM 633 OG SER A 45 -9.820 -0.608 10.333 1.00 0.00 O ATOM 0 H SER A 45 -8.213 -1.538 7.170 1.00 0.00 H new ATOM 0 HA SER A 45 -10.421 0.051 8.083 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.345 -1.501 9.211 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.002 0.139 9.724 1.00 0.00 H new ATOM 0 HG SER A 45 -9.448 -0.950 11.173 1.00 0.00 H new ATOM 639 N VAL A 46 -7.503 1.523 7.542 1.00 0.00 N ATOM 640 CA VAL A 46 -6.873 2.813 7.285 1.00 0.00 C ATOM 641 C VAL A 46 -7.568 3.545 6.143 1.00 0.00 C ATOM 642 O VAL A 46 -7.610 4.776 6.116 1.00 0.00 O ATOM 643 CB VAL A 46 -5.380 2.649 6.942 1.00 0.00 C ATOM 644 CG1 VAL A 46 -5.206 1.758 5.722 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.734 4.008 6.717 1.00 0.00 C ATOM 0 H VAL A 46 -6.863 0.729 7.521 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.966 3.400 8.199 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.882 2.170 7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.145 1.654 5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.631 0.775 5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.717 2.205 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.679 3.874 6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.233 4.516 5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.826 4.609 7.622 1.00 0.00 H new ATOM 655 N ARG A 47 -8.112 2.782 5.201 1.00 0.00 N ATOM 656 CA ARG A 47 -8.805 3.358 4.056 1.00 0.00 C ATOM 657 C ARG A 47 -10.158 3.930 4.470 1.00 0.00 C ATOM 658 O ARG A 47 -10.589 4.963 3.959 1.00 0.00 O ATOM 659 CB ARG A 47 -8.998 2.303 2.965 1.00 0.00 C ATOM 660 CG ARG A 47 -8.922 2.864 1.554 1.00 0.00 C ATOM 661 CD ARG A 47 -8.881 1.755 0.515 1.00 0.00 C ATOM 662 NE ARG A 47 -7.523 1.267 0.288 1.00 0.00 N ATOM 663 CZ ARG A 47 -7.188 0.469 -0.720 1.00 0.00 C ATOM 664 NH1 ARG A 47 -8.107 0.072 -1.589 1.00 0.00 N ATOM 665 NH2 ARG A 47 -5.931 0.068 -0.860 1.00 0.00 N ATOM 0 H ARG A 47 -8.086 1.762 5.209 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.192 4.169 3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.238 1.530 3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.966 1.822 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.784 3.505 1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.034 3.488 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.513 0.929 0.841 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.296 2.122 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.792 1.555 0.939 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.074 0.379 -1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.847 -0.541 -2.362 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.221 0.372 -0.194 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.674 -0.545 -1.634 1.00 0.00 H new ATOM 679 N ALA A 48 -10.822 3.251 5.399 1.00 0.00 N ATOM 680 CA ALA A 48 -12.124 3.692 5.883 1.00 0.00 C ATOM 681 C ALA A 48 -12.030 5.066 6.536 1.00 0.00 C ATOM 682 O ALA A 48 -13.005 5.819 6.567 1.00 0.00 O ATOM 683 CB ALA A 48 -12.694 2.677 6.864 1.00 0.00 C ATOM 0 H ALA A 48 -10.480 2.393 5.832 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.795 3.770 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.667 3.019 7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.807 1.714 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.017 2.570 7.712 1.00 0.00 H new ATOM 689 N LYS A 49 -10.852 5.389 7.059 1.00 0.00 N ATOM 690 CA LYS A 49 -10.630 6.674 7.712 1.00 0.00 C ATOM 691 C LYS A 49 -10.679 7.814 6.700 1.00 0.00 C ATOM 692 O LYS A 49 -11.223 8.881 6.980 1.00 0.00 O ATOM 693 CB LYS A 49 -9.280 6.676 8.433 1.00 0.00 C ATOM 694 CG LYS A 49 -9.074 5.476 9.341 1.00 0.00 C ATOM 695 CD LYS A 49 -7.983 5.734 10.367 1.00 0.00 C ATOM 696 CE LYS A 49 -6.613 5.830 9.713 1.00 0.00 C ATOM 697 NZ LYS A 49 -5.714 4.725 10.145 1.00 0.00 N ATOM 0 H LYS A 49 -10.035 4.778 7.043 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.425 6.825 8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.482 6.701 7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.195 7.588 9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.007 5.241 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.811 4.605 8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.197 6.659 10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.979 4.932 11.105 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.725 5.804 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.157 6.788 9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.802 4.806 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.559 4.785 11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.152 3.811 9.914 1.00 0.00 H new ATOM 711 N ASN A 50 -10.109 7.579 5.522 1.00 0.00 N ATOM 712 CA ASN A 50 -10.090 8.587 4.468 1.00 0.00 C ATOM 713 C ASN A 50 -9.537 9.910 4.991 1.00 0.00 C ATOM 714 O ASN A 50 -10.033 10.982 4.643 1.00 0.00 O ATOM 715 CB ASN A 50 -11.498 8.796 3.907 1.00 0.00 C ATOM 716 CG ASN A 50 -12.098 7.515 3.360 1.00 0.00 C ATOM 717 OD1 ASN A 50 -11.602 6.952 2.384 1.00 0.00 O ATOM 718 ND2 ASN A 50 -13.171 7.049 3.989 1.00 0.00 N ATOM 0 H ASN A 50 -9.655 6.700 5.274 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.438 8.230 3.670 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.144 9.191 4.691 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.464 9.545 3.116 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.618 6.191 3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.548 7.549 4.794 1.00 0.00 H new ATOM 725 N ASP A 51 -8.508 9.826 5.826 1.00 0.00 N ATOM 726 CA ASP A 51 -7.886 11.016 6.395 1.00 0.00 C ATOM 727 C ASP A 51 -6.883 11.624 5.420 1.00 0.00 C ATOM 728 O ASP A 51 -6.287 10.918 4.607 1.00 0.00 O ATOM 729 CB ASP A 51 -7.190 10.673 7.713 1.00 0.00 C ATOM 730 CG ASP A 51 -8.076 10.922 8.918 1.00 0.00 C ATOM 731 OD1 ASP A 51 -9.295 11.118 8.728 1.00 0.00 O ATOM 732 OD2 ASP A 51 -7.550 10.921 10.051 1.00 0.00 O ATOM 0 H ASP A 51 -8.087 8.946 6.124 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.670 11.749 6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.887 9.626 7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.281 11.267 7.805 1.00 0.00 H new ATOM 737 N GLN A 52 -6.704 12.939 5.507 1.00 0.00 N ATOM 738 CA GLN A 52 -5.775 13.642 4.630 1.00 0.00 C ATOM 739 C GLN A 52 -4.362 13.089 4.779 1.00 0.00 C ATOM 740 O GLN A 52 -3.557 13.158 3.850 1.00 0.00 O ATOM 741 CB GLN A 52 -5.785 15.140 4.938 1.00 0.00 C ATOM 742 CG GLN A 52 -6.012 16.012 3.714 1.00 0.00 C ATOM 743 CD GLN A 52 -5.626 17.459 3.948 1.00 0.00 C ATOM 744 OE1 GLN A 52 -4.511 17.755 4.377 1.00 0.00 O ATOM 745 NE2 GLN A 52 -6.550 18.371 3.667 1.00 0.00 N ATOM 0 H GLN A 52 -7.189 13.538 6.175 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.099 13.488 3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.565 15.346 5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.836 15.414 5.398 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.434 15.616 2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.062 15.962 3.427 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.462 18.081 3.313 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.348 19.361 3.805 1.00 0.00 H new ATOM 754 N ARG A 53 -4.066 12.542 5.954 1.00 0.00 N ATOM 755 CA ARG A 53 -2.749 11.979 6.225 1.00 0.00 C ATOM 756 C ARG A 53 -2.573 10.641 5.513 1.00 0.00 C ATOM 757 O ARG A 53 -1.472 10.295 5.084 1.00 0.00 O ATOM 758 CB ARG A 53 -2.548 11.799 7.731 1.00 0.00 C ATOM 759 CG ARG A 53 -2.435 13.110 8.491 1.00 0.00 C ATOM 760 CD ARG A 53 -1.846 12.900 9.878 1.00 0.00 C ATOM 761 NE ARG A 53 -0.393 13.051 9.884 1.00 0.00 N ATOM 762 CZ ARG A 53 0.369 12.777 10.936 1.00 0.00 C ATOM 763 NH1 ARG A 53 -0.180 12.342 12.062 1.00 0.00 N ATOM 764 NH2 ARG A 53 1.684 12.940 10.864 1.00 0.00 N ATOM 0 H ARG A 53 -4.721 12.477 6.733 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.999 12.674 5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.383 11.226 8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.646 11.211 7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.810 13.804 7.930 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.420 13.568 8.578 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.288 13.615 10.572 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.109 11.905 10.237 1.00 0.00 H new ATOM 0 HE ARG A 53 0.061 13.385 9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.191 12.217 12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.408 12.132 12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.110 13.276 10.000 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.269 12.729 11.673 1.00 0.00 H new ATOM 778 N PHE A 54 -3.664 9.892 5.393 1.00 0.00 N ATOM 779 CA PHE A 54 -3.631 8.592 4.735 1.00 0.00 C ATOM 780 C PHE A 54 -4.315 8.653 3.372 1.00 0.00 C ATOM 781 O PHE A 54 -5.182 7.836 3.065 1.00 0.00 O ATOM 782 CB PHE A 54 -4.308 7.536 5.611 1.00 0.00 C ATOM 783 CG PHE A 54 -3.545 7.217 6.865 1.00 0.00 C ATOM 784 CD1 PHE A 54 -2.337 6.541 6.803 1.00 0.00 C ATOM 785 CD2 PHE A 54 -4.035 7.595 8.105 1.00 0.00 C ATOM 786 CE1 PHE A 54 -1.632 6.247 7.955 1.00 0.00 C ATOM 787 CE2 PHE A 54 -3.334 7.303 9.259 1.00 0.00 C ATOM 788 CZ PHE A 54 -2.132 6.628 9.185 1.00 0.00 C ATOM 0 H PHE A 54 -4.583 10.164 5.743 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.587 8.316 4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.305 7.884 5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.436 6.622 5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.942 6.240 5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.975 8.123 8.170 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.691 5.720 7.893 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.726 7.603 10.219 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.584 6.398 10.087 1.00 0.00 H new ATOM 798 N GLU A 55 -3.918 9.629 2.561 1.00 0.00 N ATOM 799 CA GLU A 55 -4.493 9.798 1.232 1.00 0.00 C ATOM 800 C GLU A 55 -3.660 9.071 0.181 1.00 0.00 C ATOM 801 O GLU A 55 -4.173 8.659 -0.859 1.00 0.00 O ATOM 802 CB GLU A 55 -4.594 11.284 0.881 1.00 0.00 C ATOM 803 CG GLU A 55 -3.256 12.004 0.895 1.00 0.00 C ATOM 804 CD GLU A 55 -3.391 13.490 0.626 1.00 0.00 C ATOM 805 OE1 GLU A 55 -4.474 13.916 0.175 1.00 0.00 O ATOM 806 OE2 GLU A 55 -2.412 14.227 0.868 1.00 0.00 O ATOM 0 H GLU A 55 -3.201 10.314 2.801 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.493 9.365 1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.042 11.386 -0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.267 11.771 1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.778 11.856 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.601 11.561 0.145 1.00 0.00 H new ATOM 813 N PHE A 56 -2.369 8.917 0.461 1.00 0.00 N ATOM 814 CA PHE A 56 -1.463 8.241 -0.460 1.00 0.00 C ATOM 815 C PHE A 56 -1.963 6.836 -0.783 1.00 0.00 C ATOM 816 O PHE A 56 -1.658 6.284 -1.841 1.00 0.00 O ATOM 817 CB PHE A 56 -0.056 8.170 0.136 1.00 0.00 C ATOM 818 CG PHE A 56 -0.021 7.592 1.522 1.00 0.00 C ATOM 819 CD1 PHE A 56 0.003 6.220 1.714 1.00 0.00 C ATOM 820 CD2 PHE A 56 -0.012 8.420 2.633 1.00 0.00 C ATOM 821 CE1 PHE A 56 0.035 5.684 2.988 1.00 0.00 C ATOM 822 CE2 PHE A 56 0.021 7.890 3.909 1.00 0.00 C ATOM 823 CZ PHE A 56 0.043 6.521 4.087 1.00 0.00 C ATOM 0 H PHE A 56 -1.928 9.251 1.318 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.430 8.816 -1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.576 7.568 -0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.372 9.172 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.003 5.561 0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.031 9.492 2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.054 4.613 3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.030 8.546 4.767 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.066 6.105 5.084 1.00 0.00 H new ATOM 833 N LEU A 57 -2.731 6.263 0.137 1.00 0.00 N ATOM 834 CA LEU A 57 -3.274 4.921 -0.047 1.00 0.00 C ATOM 835 C LEU A 57 -4.319 4.905 -1.158 1.00 0.00 C ATOM 836 O LEU A 57 -4.554 3.873 -1.787 1.00 0.00 O ATOM 837 CB LEU A 57 -3.891 4.416 1.257 1.00 0.00 C ATOM 838 CG LEU A 57 -2.916 3.826 2.277 1.00 0.00 C ATOM 839 CD1 LEU A 57 -3.328 4.206 3.691 1.00 0.00 C ATOM 840 CD2 LEU A 57 -2.842 2.313 2.130 1.00 0.00 C ATOM 0 H LEU A 57 -2.992 6.706 1.018 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.456 4.260 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.422 5.243 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.634 3.657 1.014 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.926 4.239 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.623 3.777 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.329 5.291 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.328 3.822 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.144 1.910 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.830 1.883 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.499 2.061 1.126 1.00 0.00 H new ATOM 852 N GLN A 58 -4.942 6.055 -1.395 1.00 0.00 N ATOM 853 CA GLN A 58 -5.961 6.172 -2.431 1.00 0.00 C ATOM 854 C GLN A 58 -5.438 5.660 -3.769 1.00 0.00 C ATOM 855 O GLN A 58 -4.236 5.655 -4.033 1.00 0.00 O ATOM 856 CB GLN A 58 -6.412 7.627 -2.570 1.00 0.00 C ATOM 857 CG GLN A 58 -7.178 8.144 -1.363 1.00 0.00 C ATOM 858 CD GLN A 58 -8.630 7.708 -1.362 1.00 0.00 C ATOM 859 OE1 GLN A 58 -9.314 7.785 -2.383 1.00 0.00 O ATOM 860 NE2 GLN A 58 -9.109 7.247 -0.213 1.00 0.00 N ATOM 0 H GLN A 58 -4.759 6.918 -0.884 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.814 5.561 -2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.537 8.256 -2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.040 7.721 -3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.696 7.789 -0.452 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.130 9.233 -1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.507 7.201 0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -10.080 6.939 -0.152 1.00 0.00 H new ATOM 869 N PRO A 59 -6.362 5.217 -4.635 1.00 0.00 N ATOM 870 CA PRO A 59 -6.017 4.694 -5.961 1.00 0.00 C ATOM 871 C PRO A 59 -5.516 5.784 -6.902 1.00 0.00 C ATOM 872 O PRO A 59 -4.485 5.626 -7.556 1.00 0.00 O ATOM 873 CB PRO A 59 -7.341 4.117 -6.469 1.00 0.00 C ATOM 874 CG PRO A 59 -8.392 4.879 -5.739 1.00 0.00 C ATOM 875 CD PRO A 59 -7.813 5.193 -4.387 1.00 0.00 C ATOM 0 HA PRO A 59 -5.208 3.965 -5.914 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.439 4.241 -7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.412 3.049 -6.264 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.654 5.792 -6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.306 4.292 -5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.172 6.150 -4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -8.082 4.437 -3.649 1.00 0.00 H new ATOM 883 N TRP A 60 -6.250 6.889 -6.964 1.00 0.00 N ATOM 884 CA TRP A 60 -5.879 8.006 -7.825 1.00 0.00 C ATOM 885 C TRP A 60 -4.490 8.527 -7.473 1.00 0.00 C ATOM 886 O TRP A 60 -3.761 9.014 -8.337 1.00 0.00 O ATOM 887 CB TRP A 60 -6.905 9.134 -7.704 1.00 0.00 C ATOM 888 CG TRP A 60 -7.056 9.652 -6.305 1.00 0.00 C ATOM 889 CD1 TRP A 60 -7.949 9.225 -5.365 1.00 0.00 C ATOM 890 CD2 TRP A 60 -6.292 10.696 -5.692 1.00 0.00 C ATOM 891 NE1 TRP A 60 -7.787 9.940 -4.203 1.00 0.00 N ATOM 892 CE2 TRP A 60 -6.776 10.848 -4.377 1.00 0.00 C ATOM 893 CE3 TRP A 60 -5.246 11.515 -6.123 1.00 0.00 C ATOM 894 CZ2 TRP A 60 -6.249 11.787 -3.494 1.00 0.00 C ATOM 895 CZ3 TRP A 60 -4.724 12.446 -5.246 1.00 0.00 C ATOM 896 CH2 TRP A 60 -5.225 12.576 -3.944 1.00 0.00 C ATOM 0 H TRP A 60 -7.106 7.036 -6.428 1.00 0.00 H new ATOM 0 HA TRP A 60 -5.863 7.648 -8.854 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.611 9.955 -8.358 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -7.872 8.776 -8.058 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.676 8.440 -5.513 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -8.331 9.815 -3.349 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -4.852 11.422 -7.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.634 11.889 -2.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.916 13.085 -5.570 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.795 13.313 -3.282 1.00 0.00 H new ATOM 907 N HIS A 61 -4.128 8.420 -6.198 1.00 0.00 N ATOM 908 CA HIS A 61 -2.824 8.879 -5.732 1.00 0.00 C ATOM 909 C HIS A 61 -1.701 8.081 -6.387 1.00 0.00 C ATOM 910 O HIS A 61 -1.843 6.885 -6.638 1.00 0.00 O ATOM 911 CB HIS A 61 -2.732 8.760 -4.211 1.00 0.00 C ATOM 912 CG HIS A 61 -2.234 10.003 -3.541 1.00 0.00 C ATOM 913 ND1 HIS A 61 -0.973 10.519 -3.753 1.00 0.00 N ATOM 914 CD2 HIS A 61 -2.837 10.836 -2.660 1.00 0.00 C ATOM 915 CE1 HIS A 61 -0.821 11.615 -3.030 1.00 0.00 C ATOM 916 NE2 HIS A 61 -1.938 11.829 -2.358 1.00 0.00 N ATOM 0 H HIS A 61 -4.719 8.020 -5.470 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.713 9.926 -6.014 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.717 8.513 -3.814 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.070 7.932 -3.959 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.838 10.738 -2.268 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.066 12.231 -2.995 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.105 12.606 -1.719 1.00 0.00 H new ATOM 924 N GLN A 62 -0.587 8.752 -6.660 1.00 0.00 N ATOM 925 CA GLN A 62 0.560 8.104 -7.287 1.00 0.00 C ATOM 926 C GLN A 62 1.418 7.391 -6.247 1.00 0.00 C ATOM 927 O GLN A 62 1.964 6.319 -6.508 1.00 0.00 O ATOM 928 CB GLN A 62 1.403 9.133 -8.042 1.00 0.00 C ATOM 929 CG GLN A 62 1.880 10.285 -7.173 1.00 0.00 C ATOM 930 CD GLN A 62 2.771 11.254 -7.925 1.00 0.00 C ATOM 931 OE1 GLN A 62 2.680 11.379 -9.146 1.00 0.00 O ATOM 932 NE2 GLN A 62 3.639 11.947 -7.197 1.00 0.00 N ATOM 0 H GLN A 62 -0.454 9.743 -6.457 1.00 0.00 H new ATOM 0 HA GLN A 62 0.186 7.362 -7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.269 8.633 -8.475 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.818 9.532 -8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.016 10.821 -6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.424 9.888 -6.316 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.680 11.812 -6.187 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.264 12.615 -7.648 1.00 0.00 H new ATOM 941 N TYR A 63 1.532 7.992 -5.068 1.00 0.00 N ATOM 942 CA TYR A 63 2.326 7.415 -3.990 1.00 0.00 C ATOM 943 C TYR A 63 1.852 6.003 -3.659 1.00 0.00 C ATOM 944 O TYR A 63 2.615 5.184 -3.151 1.00 0.00 O ATOM 945 CB TYR A 63 2.246 8.297 -2.742 1.00 0.00 C ATOM 946 CG TYR A 63 2.925 9.638 -2.904 1.00 0.00 C ATOM 947 CD1 TYR A 63 4.159 9.744 -3.533 1.00 0.00 C ATOM 948 CD2 TYR A 63 2.330 10.801 -2.429 1.00 0.00 C ATOM 949 CE1 TYR A 63 4.782 10.967 -3.683 1.00 0.00 C ATOM 950 CE2 TYR A 63 2.946 12.029 -2.576 1.00 0.00 C ATOM 951 CZ TYR A 63 4.172 12.107 -3.203 1.00 0.00 C ATOM 952 OH TYR A 63 4.789 13.328 -3.351 1.00 0.00 O ATOM 0 H TYR A 63 1.085 8.878 -4.835 1.00 0.00 H new ATOM 0 HA TYR A 63 3.362 7.362 -4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.198 8.458 -2.488 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.700 7.768 -1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.640 8.854 -3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.370 10.744 -1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.742 11.031 -4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.470 12.923 -2.202 1.00 0.00 H new ATOM 0 HH TYR A 63 4.226 14.028 -2.960 1.00 0.00 H new ATOM 962 N ASN A 64 0.585 5.727 -3.953 1.00 0.00 N ATOM 963 CA ASN A 64 0.008 4.415 -3.688 1.00 0.00 C ATOM 964 C ASN A 64 0.873 3.309 -4.285 1.00 0.00 C ATOM 965 O ASN A 64 0.928 2.198 -3.759 1.00 0.00 O ATOM 966 CB ASN A 64 -1.409 4.333 -4.260 1.00 0.00 C ATOM 967 CG ASN A 64 -1.997 2.939 -4.152 1.00 0.00 C ATOM 968 OD1 ASN A 64 -2.072 2.207 -5.139 1.00 0.00 O ATOM 969 ND2 ASN A 64 -2.417 2.566 -2.949 1.00 0.00 N ATOM 0 H ASN A 64 -0.061 6.395 -4.375 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.034 4.276 -2.608 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.052 5.037 -3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.394 4.638 -5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.822 1.639 -2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.335 3.206 -2.159 1.00 0.00 H new ATOM 976 N ALA A 65 1.549 3.623 -5.386 1.00 0.00 N ATOM 977 CA ALA A 65 2.414 2.657 -6.052 1.00 0.00 C ATOM 978 C ALA A 65 3.576 2.249 -5.154 1.00 0.00 C ATOM 979 O ALA A 65 3.834 1.062 -4.956 1.00 0.00 O ATOM 980 CB ALA A 65 2.933 3.231 -7.363 1.00 0.00 C ATOM 0 H ALA A 65 1.514 4.538 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 65 1.825 1.765 -6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.578 2.500 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.092 3.466 -8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.501 4.139 -7.163 1.00 0.00 H new ATOM 986 N TYR A 66 4.275 3.241 -4.612 1.00 0.00 N ATOM 987 CA TYR A 66 5.413 2.984 -3.737 1.00 0.00 C ATOM 988 C TYR A 66 5.031 2.024 -2.615 1.00 0.00 C ATOM 989 O TYR A 66 5.765 1.084 -2.310 1.00 0.00 O ATOM 990 CB TYR A 66 5.934 4.296 -3.146 1.00 0.00 C ATOM 991 CG TYR A 66 7.123 4.116 -2.229 1.00 0.00 C ATOM 992 CD1 TYR A 66 8.419 4.140 -2.728 1.00 0.00 C ATOM 993 CD2 TYR A 66 6.950 3.922 -0.864 1.00 0.00 C ATOM 994 CE1 TYR A 66 9.509 3.976 -1.895 1.00 0.00 C ATOM 995 CE2 TYR A 66 8.033 3.759 -0.023 1.00 0.00 C ATOM 996 CZ TYR A 66 9.311 3.787 -0.543 1.00 0.00 C ATOM 997 OH TYR A 66 10.393 3.623 0.291 1.00 0.00 O ATOM 0 H TYR A 66 4.074 4.229 -4.763 1.00 0.00 H new ATOM 0 HA TYR A 66 6.201 2.523 -4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.211 4.967 -3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.129 4.781 -2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.577 4.289 -3.786 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.951 3.898 -0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.510 3.996 -2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.881 3.610 1.036 1.00 0.00 H new ATOM 0 HH TYR A 66 10.109 3.739 1.222 1.00 0.00 H new ATOM 1007 N TYR A 67 3.877 2.268 -2.003 1.00 0.00 N ATOM 1008 CA TYR A 67 3.397 1.427 -0.913 1.00 0.00 C ATOM 1009 C TYR A 67 3.364 -0.040 -1.331 1.00 0.00 C ATOM 1010 O TYR A 67 3.710 -0.926 -0.550 1.00 0.00 O ATOM 1011 CB TYR A 67 2.002 1.874 -0.472 1.00 0.00 C ATOM 1012 CG TYR A 67 1.389 0.988 0.589 1.00 0.00 C ATOM 1013 CD1 TYR A 67 1.902 0.962 1.880 1.00 0.00 C ATOM 1014 CD2 TYR A 67 0.299 0.177 0.300 1.00 0.00 C ATOM 1015 CE1 TYR A 67 1.346 0.154 2.853 1.00 0.00 C ATOM 1016 CE2 TYR A 67 -0.264 -0.633 1.267 1.00 0.00 C ATOM 1017 CZ TYR A 67 0.263 -0.642 2.542 1.00 0.00 C ATOM 1018 OH TYR A 67 -0.294 -1.448 3.507 1.00 0.00 O ATOM 0 H TYR A 67 3.257 3.041 -2.243 1.00 0.00 H new ATOM 0 HA TYR A 67 4.087 1.533 -0.076 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.060 2.894 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.344 1.894 -1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.750 1.584 2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.115 0.180 -0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.757 0.146 3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.113 -1.256 1.026 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.266 -1.483 3.384 1.00 0.00 H new ATOM 1028 N GLU A 68 2.947 -0.287 -2.569 1.00 0.00 N ATOM 1029 CA GLU A 68 2.869 -1.647 -3.091 1.00 0.00 C ATOM 1030 C GLU A 68 4.258 -2.273 -3.187 1.00 0.00 C ATOM 1031 O GLU A 68 4.406 -3.494 -3.125 1.00 0.00 O ATOM 1032 CB GLU A 68 2.199 -1.651 -4.466 1.00 0.00 C ATOM 1033 CG GLU A 68 0.757 -1.173 -4.442 1.00 0.00 C ATOM 1034 CD GLU A 68 0.217 -0.879 -5.828 1.00 0.00 C ATOM 1035 OE1 GLU A 68 1.028 -0.781 -6.773 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -1.017 -0.746 -5.968 1.00 0.00 O ATOM 0 H GLU A 68 2.658 0.436 -3.228 1.00 0.00 H new ATOM 0 HA GLU A 68 2.269 -2.240 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.772 -1.016 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.231 -2.661 -4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.135 -1.931 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.686 -0.274 -3.830 1.00 0.00 H new ATOM 1043 N PHE A 69 5.272 -1.428 -3.340 1.00 0.00 N ATOM 1044 CA PHE A 69 6.648 -1.898 -3.446 1.00 0.00 C ATOM 1045 C PHE A 69 7.254 -2.125 -2.064 1.00 0.00 C ATOM 1046 O PHE A 69 8.040 -3.051 -1.863 1.00 0.00 O ATOM 1047 CB PHE A 69 7.494 -0.889 -4.227 1.00 0.00 C ATOM 1048 CG PHE A 69 8.943 -1.274 -4.329 1.00 0.00 C ATOM 1049 CD1 PHE A 69 9.360 -2.208 -5.264 1.00 0.00 C ATOM 1050 CD2 PHE A 69 9.886 -0.704 -3.490 1.00 0.00 C ATOM 1051 CE1 PHE A 69 10.693 -2.564 -5.362 1.00 0.00 C ATOM 1052 CE2 PHE A 69 11.219 -1.056 -3.583 1.00 0.00 C ATOM 1053 CZ PHE A 69 11.623 -1.988 -4.519 1.00 0.00 C ATOM 0 H PHE A 69 5.167 -0.415 -3.393 1.00 0.00 H new ATOM 0 HA PHE A 69 6.641 -2.848 -3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.083 -0.782 -5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.418 0.086 -3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.636 -2.663 -5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.576 0.024 -2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.006 -3.291 -6.097 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.945 -0.603 -2.924 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.664 -2.266 -4.591 1.00 0.00 H new ATOM 1063 N LYS A 70 6.883 -1.273 -1.115 1.00 0.00 N ATOM 1064 CA LYS A 70 7.388 -1.380 0.249 1.00 0.00 C ATOM 1065 C LYS A 70 6.676 -2.496 1.007 1.00 0.00 C ATOM 1066 O LYS A 70 7.267 -3.154 1.864 1.00 0.00 O ATOM 1067 CB LYS A 70 7.205 -0.051 0.987 1.00 0.00 C ATOM 1068 CG LYS A 70 8.351 0.285 1.926 1.00 0.00 C ATOM 1069 CD LYS A 70 9.653 0.486 1.167 1.00 0.00 C ATOM 1070 CE LYS A 70 10.671 -0.590 1.514 1.00 0.00 C ATOM 1071 NZ LYS A 70 11.727 -0.710 0.470 1.00 0.00 N ATOM 0 H LYS A 70 6.234 -0.500 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 70 8.450 -1.619 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.099 0.750 0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.277 -0.086 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.111 1.189 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.473 -0.517 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.457 0.471 0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.065 1.468 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.133 -0.357 2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.163 -1.548 1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.402 -1.453 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.289 -0.957 -0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.229 0.196 0.378 1.00 0.00 H new ATOM 1085 N LYS A 71 5.404 -2.706 0.685 1.00 0.00 N ATOM 1086 CA LYS A 71 4.612 -3.745 1.333 1.00 0.00 C ATOM 1087 C LYS A 71 5.200 -5.126 1.061 1.00 0.00 C ATOM 1088 O LYS A 71 5.510 -5.872 1.990 1.00 0.00 O ATOM 1089 CB LYS A 71 3.163 -3.690 0.843 1.00 0.00 C ATOM 1090 CG LYS A 71 2.239 -4.650 1.571 1.00 0.00 C ATOM 1091 CD LYS A 71 0.804 -4.149 1.574 1.00 0.00 C ATOM 1092 CE LYS A 71 0.176 -4.252 0.192 1.00 0.00 C ATOM 1093 NZ LYS A 71 -1.299 -4.444 0.267 1.00 0.00 N ATOM 0 H LYS A 71 4.899 -2.170 -0.021 1.00 0.00 H new ATOM 0 HA LYS A 71 4.633 -3.566 2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.786 -2.674 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.140 -3.915 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.282 -5.630 1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.582 -4.779 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.216 -4.728 2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.780 -3.112 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.396 -3.348 -0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.624 -5.085 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.660 -4.728 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.518 -5.185 0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.751 -3.553 0.557 1.00 0.00 H new ATOM 1107 N GLN A 72 5.352 -5.459 -0.217 1.00 0.00 N ATOM 1108 CA GLN A 72 5.904 -6.750 -0.609 1.00 0.00 C ATOM 1109 C GLN A 72 7.234 -7.009 0.091 1.00 0.00 C ATOM 1110 O GLN A 72 7.521 -8.133 0.503 1.00 0.00 O ATOM 1111 CB GLN A 72 6.092 -6.809 -2.126 1.00 0.00 C ATOM 1112 CG GLN A 72 6.102 -8.223 -2.684 1.00 0.00 C ATOM 1113 CD GLN A 72 4.740 -8.663 -3.183 1.00 0.00 C ATOM 1114 OE1 GLN A 72 4.038 -7.906 -3.855 1.00 0.00 O ATOM 1115 NE2 GLN A 72 4.358 -9.892 -2.856 1.00 0.00 N ATOM 0 H GLN A 72 5.101 -4.853 -0.998 1.00 0.00 H new ATOM 0 HA GLN A 72 5.199 -7.525 -0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.292 -6.244 -2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.029 -6.318 -2.387 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.821 -8.282 -3.501 1.00 0.00 H new ATOM 0 HG3 GLN A 72 6.442 -8.912 -1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.972 -10.485 -2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.451 -10.243 -3.163 1.00 0.00 H new ATOM 1124 N PHE A 73 8.042 -5.963 0.220 1.00 0.00 N ATOM 1125 CA PHE A 73 9.343 -6.077 0.869 1.00 0.00 C ATOM 1126 C PHE A 73 9.201 -6.655 2.274 1.00 0.00 C ATOM 1127 O PHE A 73 9.801 -7.679 2.600 1.00 0.00 O ATOM 1128 CB PHE A 73 10.026 -4.710 0.934 1.00 0.00 C ATOM 1129 CG PHE A 73 11.328 -4.725 1.684 1.00 0.00 C ATOM 1130 CD1 PHE A 73 12.397 -5.477 1.226 1.00 0.00 C ATOM 1131 CD2 PHE A 73 11.481 -3.988 2.847 1.00 0.00 C ATOM 1132 CE1 PHE A 73 13.596 -5.493 1.913 1.00 0.00 C ATOM 1133 CE2 PHE A 73 12.678 -4.000 3.538 1.00 0.00 C ATOM 1134 CZ PHE A 73 13.736 -4.754 3.071 1.00 0.00 C ATOM 0 H PHE A 73 7.819 -5.026 -0.116 1.00 0.00 H new ATOM 0 HA PHE A 73 9.958 -6.755 0.277 1.00 0.00 H new ATOM 0 HB2 PHE A 73 10.204 -4.353 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.351 -3.998 1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.292 -6.058 0.321 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.656 -3.398 3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.422 -6.083 1.545 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.786 -3.420 4.443 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.672 -4.766 3.610 1.00 0.00 H new ATOM 1144 N PHE A 74 8.403 -5.990 3.103 1.00 0.00 N ATOM 1145 CA PHE A 74 8.183 -6.435 4.474 1.00 0.00 C ATOM 1146 C PHE A 74 7.486 -7.793 4.500 1.00 0.00 C ATOM 1147 O PHE A 74 7.763 -8.629 5.360 1.00 0.00 O ATOM 1148 CB PHE A 74 7.347 -5.406 5.239 1.00 0.00 C ATOM 1149 CG PHE A 74 8.111 -4.166 5.605 1.00 0.00 C ATOM 1150 CD1 PHE A 74 9.339 -4.256 6.241 1.00 0.00 C ATOM 1151 CD2 PHE A 74 7.603 -2.911 5.311 1.00 0.00 C ATOM 1152 CE1 PHE A 74 10.044 -3.116 6.580 1.00 0.00 C ATOM 1153 CE2 PHE A 74 8.303 -1.768 5.647 1.00 0.00 C ATOM 1154 CZ PHE A 74 9.526 -1.871 6.281 1.00 0.00 C ATOM 0 H PHE A 74 7.898 -5.141 2.849 1.00 0.00 H new ATOM 0 HA PHE A 74 9.155 -6.535 4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.485 -5.127 4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.961 -5.867 6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.750 -5.227 6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.648 -2.825 4.813 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.999 -3.199 7.078 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.895 -0.796 5.414 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.076 -0.979 6.543 1.00 0.00 H new ATOM 1164 N LEU A 75 6.581 -8.005 3.551 1.00 0.00 N ATOM 1165 CA LEU A 75 5.844 -9.260 3.463 1.00 0.00 C ATOM 1166 C LEU A 75 6.794 -10.438 3.279 1.00 0.00 C ATOM 1167 O LEU A 75 6.693 -11.445 3.980 1.00 0.00 O ATOM 1168 CB LEU A 75 4.846 -9.209 2.305 1.00 0.00 C ATOM 1169 CG LEU A 75 3.402 -8.869 2.677 1.00 0.00 C ATOM 1170 CD1 LEU A 75 2.586 -8.571 1.429 1.00 0.00 C ATOM 1171 CD2 LEU A 75 2.774 -10.006 3.469 1.00 0.00 C ATOM 0 H LEU A 75 6.340 -7.323 2.831 1.00 0.00 H new ATOM 0 HA LEU A 75 5.300 -9.399 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.197 -8.473 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.853 -10.177 1.803 1.00 0.00 H new ATOM 0 HG LEU A 75 3.408 -7.977 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.561 -8.331 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.024 -7.724 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.587 -9.444 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.747 -9.747 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.780 -10.915 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.345 -10.172 4.383 1.00 0.00 H new ATOM 1183 N GLN A 76 7.718 -10.305 2.332 1.00 0.00 N ATOM 1184 CA GLN A 76 8.688 -11.358 2.057 1.00 0.00 C ATOM 1185 C GLN A 76 9.713 -11.461 3.182 1.00 0.00 C ATOM 1186 O GLN A 76 10.191 -12.549 3.502 1.00 0.00 O ATOM 1187 CB GLN A 76 9.396 -11.094 0.728 1.00 0.00 C ATOM 1188 CG GLN A 76 8.601 -11.547 -0.486 1.00 0.00 C ATOM 1189 CD GLN A 76 9.457 -11.671 -1.731 1.00 0.00 C ATOM 1190 OE1 GLN A 76 9.583 -12.752 -2.307 1.00 0.00 O ATOM 1191 NE2 GLN A 76 10.051 -10.562 -2.155 1.00 0.00 N ATOM 0 H GLN A 76 7.815 -9.478 1.743 1.00 0.00 H new ATOM 0 HA GLN A 76 8.151 -12.304 1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.600 -10.027 0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.359 -11.604 0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.136 -12.509 -0.272 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.795 -10.838 -0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.920 -9.687 -1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.639 -10.585 -2.988 1.00 0.00 H new ATOM 1200 N LYS A 77 10.046 -10.322 3.778 1.00 0.00 N ATOM 1201 CA LYS A 77 11.014 -10.282 4.868 1.00 0.00 C ATOM 1202 C LYS A 77 10.310 -10.197 6.218 1.00 0.00 C ATOM 1203 O LYS A 77 10.194 -9.119 6.800 1.00 0.00 O ATOM 1204 CB LYS A 77 11.958 -9.090 4.697 1.00 0.00 C ATOM 1205 CG LYS A 77 13.311 -9.285 5.358 1.00 0.00 C ATOM 1206 CD LYS A 77 13.841 -7.984 5.938 1.00 0.00 C ATOM 1207 CE LYS A 77 13.240 -7.697 7.306 1.00 0.00 C ATOM 1208 NZ LYS A 77 12.205 -6.628 7.244 1.00 0.00 N ATOM 0 H LYS A 77 9.659 -9.413 3.525 1.00 0.00 H new ATOM 0 HA LYS A 77 11.595 -11.204 4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.106 -8.905 3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.485 -8.200 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.226 -10.029 6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.021 -9.675 4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.927 -8.037 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.612 -7.162 5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.797 -8.609 7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.030 -7.398 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.077 -6.214 8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.510 -5.888 6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.305 -7.035 6.919 1.00 0.00 H new ATOM 1222 N GLU A 78 9.843 -11.340 6.710 1.00 0.00 N ATOM 1223 CA GLU A 78 9.151 -11.393 7.992 1.00 0.00 C ATOM 1224 C GLU A 78 10.103 -11.064 9.139 1.00 0.00 C ATOM 1225 O GLU A 78 9.686 -10.560 10.181 1.00 0.00 O ATOM 1226 CB GLU A 78 8.535 -12.777 8.208 1.00 0.00 C ATOM 1227 CG GLU A 78 7.403 -13.096 7.247 1.00 0.00 C ATOM 1228 CD GLU A 78 7.432 -14.535 6.767 1.00 0.00 C ATOM 1229 OE1 GLU A 78 7.440 -15.444 7.623 1.00 0.00 O ATOM 1230 OE2 GLU A 78 7.448 -14.751 5.537 1.00 0.00 O ATOM 0 H GLU A 78 9.931 -12.241 6.240 1.00 0.00 H new ATOM 0 HA GLU A 78 8.356 -10.647 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.314 -13.532 8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.162 -12.844 9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.449 -12.900 7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.463 -12.429 6.387 1.00 0.00 H new ATOM 1237 N GLY A 79 11.385 -11.354 8.937 1.00 0.00 N ATOM 1238 CA GLY A 79 12.377 -11.083 9.961 1.00 0.00 C ATOM 1239 C GLY A 79 12.857 -12.344 10.652 1.00 0.00 C ATOM 1240 O GLY A 79 13.356 -12.294 11.775 1.00 0.00 O ATOM 0 H GLY A 79 11.754 -11.772 8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.229 -10.572 9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.954 -10.405 10.702 1.00 0.00 H new ATOM 1244 N GLY A 80 12.703 -13.481 9.979 1.00 0.00 N ATOM 1245 CA GLY A 80 13.128 -14.745 10.551 1.00 0.00 C ATOM 1246 C GLY A 80 14.635 -14.908 10.543 1.00 0.00 C ATOM 1247 O GLY A 80 15.189 -15.568 9.664 1.00 0.00 O ATOM 0 H GLY A 80 12.292 -13.549 9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.763 -14.817 11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.674 -15.564 9.993 1.00 0.00 H new ATOM 1251 N ASP A 81 15.299 -14.304 11.522 1.00 0.00 N ATOM 1252 CA ASP A 81 16.751 -14.385 11.624 1.00 0.00 C ATOM 1253 C ASP A 81 17.171 -14.931 12.985 1.00 0.00 C ATOM 1254 O ASP A 81 18.056 -15.782 13.077 1.00 0.00 O ATOM 1255 CB ASP A 81 17.377 -13.007 11.399 1.00 0.00 C ATOM 1256 CG ASP A 81 18.037 -12.887 10.040 1.00 0.00 C ATOM 1257 OD1 ASP A 81 18.624 -13.886 9.574 1.00 0.00 O ATOM 1258 OD2 ASP A 81 17.967 -11.793 9.441 1.00 0.00 O ATOM 0 H ASP A 81 14.855 -13.753 12.256 1.00 0.00 H new ATOM 0 HA ASP A 81 17.107 -15.068 10.853 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.607 -12.241 11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 81 18.116 -12.815 12.177 1.00 0.00 H new ATOM 1263 N SER A 82 16.530 -14.437 14.039 1.00 0.00 N ATOM 1264 CA SER A 82 16.840 -14.872 15.396 1.00 0.00 C ATOM 1265 C SER A 82 15.629 -14.708 16.309 1.00 0.00 C ATOM 1266 O SER A 82 15.464 -13.677 16.960 1.00 0.00 O ATOM 1267 CB SER A 82 18.023 -14.077 15.951 1.00 0.00 C ATOM 1268 OG SER A 82 18.052 -12.765 15.417 1.00 0.00 O ATOM 0 H SER A 82 15.792 -13.735 13.980 1.00 0.00 H new ATOM 0 HA SER A 82 17.106 -15.928 15.361 1.00 0.00 H new ATOM 0 HB2 SER A 82 17.955 -14.029 17.038 1.00 0.00 H new ATOM 0 HB3 SER A 82 18.954 -14.591 15.712 1.00 0.00 H new ATOM 0 HG SER A 82 18.816 -12.277 15.789 1.00 0.00 H new ATOM 1274 N MET A 83 14.785 -15.734 16.351 1.00 0.00 N ATOM 1275 CA MET A 83 13.589 -15.705 17.186 1.00 0.00 C ATOM 1276 C MET A 83 13.693 -16.720 18.320 1.00 0.00 C ATOM 1277 O MET A 83 13.198 -17.841 18.208 1.00 0.00 O ATOM 1278 CB MET A 83 12.345 -15.992 16.342 1.00 0.00 C ATOM 1279 CG MET A 83 11.551 -14.745 15.988 1.00 0.00 C ATOM 1280 SD MET A 83 9.850 -15.116 15.518 1.00 0.00 S ATOM 1281 CE MET A 83 9.448 -13.674 14.535 1.00 0.00 C ATOM 0 H MET A 83 14.907 -16.595 15.817 1.00 0.00 H new ATOM 0 HA MET A 83 13.503 -14.709 17.620 1.00 0.00 H new ATOM 0 HB2 MET A 83 12.647 -16.494 15.423 1.00 0.00 H new ATOM 0 HB3 MET A 83 11.699 -16.682 16.884 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.549 -14.066 16.841 1.00 0.00 H new ATOM 0 HG3 MET A 83 12.045 -14.225 15.168 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.424 -13.756 14.171 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.545 -12.778 15.147 1.00 0.00 H new ATOM 0 HE3 MET A 83 10.130 -13.610 13.687 1.00 0.00 H new ATOM 1291 N GLN A 84 14.339 -16.318 19.410 1.00 0.00 N ATOM 1292 CA GLN A 84 14.507 -17.194 20.564 1.00 0.00 C ATOM 1293 C GLN A 84 13.164 -17.492 21.222 1.00 0.00 C ATOM 1294 O GLN A 84 12.164 -16.834 20.938 1.00 0.00 O ATOM 1295 CB GLN A 84 15.456 -16.556 21.580 1.00 0.00 C ATOM 1296 CG GLN A 84 14.861 -15.357 22.299 1.00 0.00 C ATOM 1297 CD GLN A 84 15.722 -14.115 22.174 1.00 0.00 C ATOM 1298 OE1 GLN A 84 15.838 -13.532 21.096 1.00 0.00 O ATOM 1299 NE2 GLN A 84 16.331 -13.703 23.280 1.00 0.00 N ATOM 0 H GLN A 84 14.754 -15.393 19.518 1.00 0.00 H new ATOM 0 HA GLN A 84 14.936 -18.134 20.216 1.00 0.00 H new ATOM 0 HB2 GLN A 84 15.743 -17.306 22.317 1.00 0.00 H new ATOM 0 HB3 GLN A 84 16.368 -16.247 21.069 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.870 -15.150 21.894 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.730 -15.599 23.354 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.207 -14.217 24.152 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.923 -12.873 23.257 1.00 0.00 H new ATOM 1308 N ALA A 85 13.150 -18.488 22.101 1.00 0.00 N ATOM 1309 CA ALA A 85 11.930 -18.872 22.801 1.00 0.00 C ATOM 1310 C ALA A 85 11.617 -17.899 23.932 1.00 0.00 C ATOM 1311 O ALA A 85 12.198 -17.981 25.014 1.00 0.00 O ATOM 1312 CB ALA A 85 12.056 -20.289 23.341 1.00 0.00 C ATOM 0 H ALA A 85 13.970 -19.044 22.346 1.00 0.00 H new ATOM 0 HA ALA A 85 11.105 -18.838 22.089 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.138 -20.563 23.861 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.225 -20.980 22.515 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.895 -20.341 24.034 1.00 0.00 H new ATOM 1318 N VAL A 86 10.694 -16.977 23.675 1.00 0.00 N ATOM 1319 CA VAL A 86 10.303 -15.988 24.672 1.00 0.00 C ATOM 1320 C VAL A 86 8.794 -15.993 24.888 1.00 0.00 C ATOM 1321 O VAL A 86 8.203 -14.970 25.235 1.00 0.00 O ATOM 1322 CB VAL A 86 10.747 -14.571 24.261 1.00 0.00 C ATOM 1323 CG1 VAL A 86 12.250 -14.411 24.436 1.00 0.00 C ATOM 1324 CG2 VAL A 86 10.334 -14.279 22.826 1.00 0.00 C ATOM 0 H VAL A 86 10.203 -16.895 22.785 1.00 0.00 H new ATOM 0 HA VAL A 86 10.801 -16.262 25.602 1.00 0.00 H new ATOM 0 HB VAL A 86 10.251 -13.850 24.911 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.546 -13.404 24.141 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.514 -14.575 25.481 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.768 -15.139 23.812 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.655 -13.274 22.552 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.800 -15.004 22.159 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.250 -14.350 22.738 1.00 0.00 H new ATOM 1334 N SER A 87 8.176 -17.151 24.680 1.00 0.00 N ATOM 1335 CA SER A 87 6.734 -17.289 24.849 1.00 0.00 C ATOM 1336 C SER A 87 6.395 -18.578 25.591 1.00 0.00 C ATOM 1337 O SER A 87 5.699 -19.445 25.065 1.00 0.00 O ATOM 1338 CB SER A 87 6.035 -17.272 23.488 1.00 0.00 C ATOM 1339 OG SER A 87 6.608 -18.224 22.609 1.00 0.00 O ATOM 0 H SER A 87 8.651 -18.007 24.394 1.00 0.00 H new ATOM 0 HA SER A 87 6.380 -16.445 25.441 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.974 -17.485 23.618 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.109 -16.277 23.050 1.00 0.00 H new ATOM 0 HG SER A 87 6.464 -19.126 22.965 1.00 0.00 H new ATOM 1345 N ALA A 88 6.893 -18.696 26.818 1.00 0.00 N ATOM 1346 CA ALA A 88 6.642 -19.877 27.634 1.00 0.00 C ATOM 1347 C ALA A 88 7.078 -19.650 29.077 1.00 0.00 C ATOM 1348 O ALA A 88 8.155 -20.072 29.500 1.00 0.00 O ATOM 1349 CB ALA A 88 7.358 -21.085 27.048 1.00 0.00 C ATOM 0 H ALA A 88 7.473 -17.988 27.268 1.00 0.00 H new ATOM 0 HA ALA A 88 5.569 -20.068 27.632 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.162 -21.960 27.668 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.995 -21.268 26.037 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.431 -20.894 27.020 1.00 0.00 H new ATOM 1355 N PRO A 89 6.224 -18.967 29.854 1.00 0.00 N ATOM 1356 CA PRO A 89 6.501 -18.668 31.262 1.00 0.00 C ATOM 1357 C PRO A 89 6.454 -19.915 32.139 1.00 0.00 C ATOM 1358 O PRO A 89 5.639 -20.809 31.918 1.00 0.00 O ATOM 1359 CB PRO A 89 5.378 -17.701 31.647 1.00 0.00 C ATOM 1360 CG PRO A 89 4.268 -18.016 30.705 1.00 0.00 C ATOM 1361 CD PRO A 89 4.923 -18.434 29.417 1.00 0.00 C ATOM 0 HA PRO A 89 7.501 -18.259 31.403 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.071 -17.844 32.683 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.698 -16.664 31.549 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.637 -18.813 31.098 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.627 -17.148 30.553 1.00 0.00 H new ATOM 0 HD2 PRO A 89 4.335 -19.188 28.893 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.042 -17.592 28.735 1.00 0.00 H new ATOM 1369 N GLU A 90 7.334 -19.966 33.135 1.00 0.00 N ATOM 1370 CA GLU A 90 7.392 -21.104 34.044 1.00 0.00 C ATOM 1371 C GLU A 90 7.551 -22.410 33.272 1.00 0.00 C ATOM 1372 O GLU A 90 7.336 -23.493 33.815 1.00 0.00 O ATOM 1373 CB GLU A 90 6.130 -21.160 34.908 1.00 0.00 C ATOM 1374 CG GLU A 90 6.404 -21.024 36.396 1.00 0.00 C ATOM 1375 CD GLU A 90 5.152 -21.184 37.237 1.00 0.00 C ATOM 1376 OE1 GLU A 90 4.105 -21.567 36.676 1.00 0.00 O ATOM 1377 OE2 GLU A 90 5.221 -20.926 38.457 1.00 0.00 O ATOM 0 H GLU A 90 8.015 -19.233 33.332 1.00 0.00 H new ATOM 0 HA GLU A 90 8.261 -20.976 34.690 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.452 -20.365 34.598 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.617 -22.105 34.726 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.137 -21.773 36.697 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.847 -20.047 36.592 1.00 0.00 H new TER 1384 GLU A 90