USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 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 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc=-0.00748 (180deg=-0.337) USER MOD Single : A 21 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.2) USER MOD Single : A 24 GLN : amide:sc= -0.0165 K(o=-0.017,f=-1.5!) USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= -0.561 (180deg=-0.624) USER MOD Single : A 26 SER OG : rot -33:sc= 0.104 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 35 TYR OH : rot -135:sc= 0.00628 USER MOD Single : A 38 SER OG : rot -18:sc= 1.12 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -3.49! C(o=-3.5!,f=-7.6!) USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= -0.396 (180deg=-1.42!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -19:sc= 0.5 USER MOD Single : A 52 ASN : amide:sc= -0.0505 K(o=-0.051,f=-1.3!) USER MOD Single : A 53 SER OG : rot -130:sc= -0.995 USER MOD Single : A 57 HIS : no HE2:sc= -2.17 K(o=-2.2,f=-3.2!) USER MOD Single : A 59 ASN : amide:sc= -0.0133 K(o=-0.013,f=-1.9!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.448 USER MOD Single : A 61 THR OG1 : rot 127:sc= 0.927 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -75:sc= 1.23 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 13 57.512 3.310 14.266 1.00 1.00 N ATOM 2 CA MET A 13 56.666 4.112 13.337 1.00 1.00 C ATOM 3 C MET A 13 57.519 4.610 12.176 1.00 1.00 C ATOM 4 O MET A 13 57.041 4.726 11.052 1.00 1.00 O ATOM 5 CB MET A 13 56.062 5.298 14.094 1.00 1.00 C ATOM 6 CG MET A 13 55.048 4.789 15.121 1.00 1.00 C ATOM 7 SD MET A 13 54.367 6.187 16.046 1.00 1.00 S ATOM 8 CE MET A 13 53.002 6.569 14.919 1.00 1.00 C ATOM 0 HA MET A 13 55.860 3.492 12.945 1.00 1.00 H new ATOM 0 HB2 MET A 13 56.849 5.862 14.594 1.00 1.00 H new ATOM 0 HB3 MET A 13 55.576 5.979 13.395 1.00 1.00 H new ATOM 0 HG2 MET A 13 54.247 4.248 14.618 1.00 1.00 H new ATOM 0 HG3 MET A 13 55.527 4.087 15.804 1.00 1.00 H new ATOM 0 HE1 MET A 13 52.438 7.418 15.305 1.00 1.00 H new ATOM 0 HE2 MET A 13 53.401 6.815 13.935 1.00 1.00 H new ATOM 0 HE3 MET A 13 52.344 5.704 14.838 1.00 1.00 H new ATOM 18 N ARG A 14 58.787 4.885 12.456 1.00 1.00 N ATOM 19 CA ARG A 14 59.710 5.363 11.446 1.00 1.00 C ATOM 20 C ARG A 14 59.531 4.612 10.128 1.00 1.00 C ATOM 21 O ARG A 14 59.843 5.134 9.059 1.00 1.00 O ATOM 22 CB ARG A 14 61.135 5.182 11.951 1.00 1.00 C ATOM 23 CG ARG A 14 62.076 5.993 11.078 1.00 1.00 C ATOM 24 CD ARG A 14 63.499 5.860 11.610 1.00 1.00 C ATOM 25 NE ARG A 14 64.396 6.766 10.901 1.00 1.00 N ATOM 26 CZ ARG A 14 65.695 6.797 11.176 1.00 1.00 C ATOM 27 NH1 ARG A 14 66.191 6.005 12.086 1.00 1.00 N ATOM 28 NH2 ARG A 14 66.479 7.622 10.533 1.00 1.00 N ATOM 0 H ARG A 14 59.198 4.782 13.384 1.00 1.00 H new ATOM 0 HA ARG A 14 59.506 6.418 11.260 1.00 1.00 H new ATOM 0 HB2 ARG A 14 61.211 5.507 12.989 1.00 1.00 H new ATOM 0 HB3 ARG A 14 61.412 4.128 11.926 1.00 1.00 H new ATOM 0 HG2 ARG A 14 62.027 5.642 10.047 1.00 1.00 H new ATOM 0 HG3 ARG A 14 61.774 7.040 11.073 1.00 1.00 H new ATOM 0 HD2 ARG A 14 63.517 6.082 12.677 1.00 1.00 H new ATOM 0 HD3 ARG A 14 63.843 4.832 11.493 1.00 1.00 H new ATOM 0 HE ARG A 14 64.020 7.385 10.183 1.00 1.00 H new ATOM 0 HH11 ARG A 14 65.581 5.360 12.588 1.00 1.00 H new ATOM 0 HH12 ARG A 14 67.189 6.031 12.295 1.00 1.00 H new ATOM 0 HH21 ARG A 14 66.093 8.242 9.821 1.00 1.00 H new ATOM 0 HH22 ARG A 14 67.477 7.646 10.744 1.00 1.00 H new ATOM 42 N ILE A 15 59.037 3.383 10.215 1.00 1.00 N ATOM 43 CA ILE A 15 58.830 2.560 9.025 1.00 1.00 C ATOM 44 C ILE A 15 58.104 3.388 7.956 1.00 1.00 C ATOM 45 O ILE A 15 58.482 3.378 6.786 1.00 1.00 O ATOM 46 CB ILE A 15 58.001 1.278 9.385 1.00 1.00 C ATOM 47 CG1 ILE A 15 57.497 1.363 10.844 1.00 1.00 C ATOM 48 CG2 ILE A 15 58.857 0.009 9.231 1.00 1.00 C ATOM 49 CD1 ILE A 15 58.647 1.106 11.835 1.00 1.00 C ATOM 0 H ILE A 15 58.773 2.934 11.092 1.00 1.00 H new ATOM 0 HA ILE A 15 59.796 2.240 8.635 1.00 1.00 H new ATOM 0 HB ILE A 15 57.155 1.225 8.700 1.00 1.00 H new ATOM 0 HG12 ILE A 15 57.065 2.347 11.028 1.00 1.00 H new ATOM 0 HG13 ILE A 15 56.704 0.632 11.003 1.00 1.00 H new ATOM 0 HG21 ILE A 15 58.259 -0.866 9.486 1.00 1.00 H new ATOM 0 HG22 ILE A 15 59.201 -0.075 8.200 1.00 1.00 H new ATOM 0 HG23 ILE A 15 59.718 0.068 9.897 1.00 1.00 H new ATOM 0 HD11 ILE A 15 58.269 1.171 12.855 1.00 1.00 H new ATOM 0 HD12 ILE A 15 59.060 0.112 11.663 1.00 1.00 H new ATOM 0 HD13 ILE A 15 59.427 1.853 11.689 1.00 1.00 H new ATOM 61 N TYR A 16 57.081 4.122 8.381 1.00 1.00 N ATOM 62 CA TYR A 16 56.319 4.974 7.476 1.00 1.00 C ATOM 63 C TYR A 16 57.266 5.992 6.853 1.00 1.00 C ATOM 64 O TYR A 16 57.258 6.215 5.643 1.00 1.00 O ATOM 65 CB TYR A 16 55.157 5.657 8.271 1.00 1.00 C ATOM 66 CG TYR A 16 55.431 7.145 8.523 1.00 1.00 C ATOM 67 CD1 TYR A 16 56.122 7.553 9.681 1.00 1.00 C ATOM 68 CD2 TYR A 16 55.001 8.118 7.597 1.00 1.00 C ATOM 69 CE1 TYR A 16 56.378 8.899 9.910 1.00 1.00 C ATOM 70 CE2 TYR A 16 55.263 9.475 7.838 1.00 1.00 C ATOM 71 CZ TYR A 16 55.951 9.864 8.993 1.00 1.00 C ATOM 72 OH TYR A 16 56.208 11.200 9.223 1.00 1.00 O ATOM 0 H TYR A 16 56.760 4.144 9.349 1.00 1.00 H new ATOM 0 HA TYR A 16 55.870 4.392 6.671 1.00 1.00 H new ATOM 0 HB2 TYR A 16 54.225 5.549 7.716 1.00 1.00 H new ATOM 0 HB3 TYR A 16 55.021 5.147 9.225 1.00 1.00 H new ATOM 0 HD1 TYR A 16 56.455 6.814 10.395 1.00 1.00 H new ATOM 0 HD2 TYR A 16 54.471 7.819 6.705 1.00 1.00 H new ATOM 0 HE1 TYR A 16 56.909 9.201 10.800 1.00 1.00 H new ATOM 0 HE2 TYR A 16 54.933 10.221 7.131 1.00 1.00 H new ATOM 0 HH TYR A 16 55.844 11.735 8.487 1.00 1.00 H new ATOM 82 N LYS A 17 58.099 6.587 7.690 1.00 1.00 N ATOM 83 CA LYS A 17 59.072 7.552 7.211 1.00 1.00 C ATOM 84 C LYS A 17 60.048 6.855 6.273 1.00 1.00 C ATOM 85 O LYS A 17 60.509 7.439 5.298 1.00 1.00 O ATOM 86 CB LYS A 17 59.835 8.170 8.385 1.00 1.00 C ATOM 87 CG LYS A 17 60.762 9.271 7.865 1.00 1.00 C ATOM 88 CD LYS A 17 61.465 9.950 9.041 1.00 1.00 C ATOM 89 CE LYS A 17 62.367 11.070 8.518 1.00 1.00 C ATOM 90 NZ LYS A 17 63.490 10.478 7.740 1.00 1.00 N ATOM 0 H LYS A 17 58.121 6.420 8.696 1.00 1.00 H new ATOM 0 HA LYS A 17 58.552 8.348 6.678 1.00 1.00 H new ATOM 0 HB2 LYS A 17 59.135 8.582 9.112 1.00 1.00 H new ATOM 0 HB3 LYS A 17 60.415 7.404 8.900 1.00 1.00 H new ATOM 0 HG2 LYS A 17 61.499 8.847 7.183 1.00 1.00 H new ATOM 0 HG3 LYS A 17 60.189 10.005 7.298 1.00 1.00 H new ATOM 0 HD2 LYS A 17 60.728 10.356 9.734 1.00 1.00 H new ATOM 0 HD3 LYS A 17 62.056 9.221 9.595 1.00 1.00 H new ATOM 0 HE2 LYS A 17 61.793 11.750 7.889 1.00 1.00 H new ATOM 0 HE3 LYS A 17 62.756 11.657 9.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 64.246 11.183 7.630 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 63.862 9.648 8.244 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 63.148 10.189 6.801 1.00 1.00 H new ATOM 104 N GLY A 18 60.345 5.593 6.573 1.00 1.00 N ATOM 105 CA GLY A 18 61.255 4.808 5.741 1.00 1.00 C ATOM 106 C GLY A 18 60.601 4.430 4.424 1.00 1.00 C ATOM 107 O GLY A 18 61.274 4.276 3.406 1.00 1.00 O ATOM 0 H GLY A 18 59.972 5.094 7.381 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.163 5.380 5.549 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.554 3.906 6.275 1.00 1.00 H new ATOM 111 N VAL A 19 59.283 4.258 4.462 1.00 1.00 N ATOM 112 CA VAL A 19 58.545 3.868 3.275 1.00 1.00 C ATOM 113 C VAL A 19 58.701 4.936 2.205 1.00 1.00 C ATOM 114 O VAL A 19 58.428 4.706 1.029 1.00 1.00 O ATOM 115 CB VAL A 19 57.063 3.618 3.619 1.00 1.00 C ATOM 116 CG1 VAL A 19 56.194 3.676 2.343 1.00 1.00 C ATOM 117 CG2 VAL A 19 56.911 2.226 4.250 1.00 1.00 C ATOM 0 H VAL A 19 58.711 4.383 5.298 1.00 1.00 H new ATOM 0 HA VAL A 19 58.949 2.933 2.886 1.00 1.00 H new ATOM 0 HB VAL A 19 56.736 4.390 4.316 1.00 1.00 H new ATOM 0 HG11 VAL A 19 55.151 3.497 2.605 1.00 1.00 H new ATOM 0 HG12 VAL A 19 56.289 4.659 1.882 1.00 1.00 H new ATOM 0 HG13 VAL A 19 56.528 2.912 1.640 1.00 1.00 H new ATOM 0 HG21 VAL A 19 55.863 2.049 4.493 1.00 1.00 H new ATOM 0 HG22 VAL A 19 57.253 1.468 3.545 1.00 1.00 H new ATOM 0 HG23 VAL A 19 57.509 2.172 5.160 1.00 1.00 H new ATOM 127 N ILE A 20 59.147 6.105 2.631 1.00 1.00 N ATOM 128 CA ILE A 20 59.358 7.218 1.713 1.00 1.00 C ATOM 129 C ILE A 20 60.232 6.739 0.560 1.00 1.00 C ATOM 130 O ILE A 20 60.201 7.282 -0.536 1.00 1.00 O ATOM 131 CB ILE A 20 60.087 8.355 2.472 1.00 1.00 C ATOM 132 CG1 ILE A 20 59.095 9.111 3.395 1.00 1.00 C ATOM 133 CG2 ILE A 20 60.759 9.350 1.499 1.00 1.00 C ATOM 134 CD1 ILE A 20 57.943 9.744 2.587 1.00 1.00 C ATOM 0 H ILE A 20 59.371 6.311 3.605 1.00 1.00 H new ATOM 0 HA ILE A 20 58.405 7.582 1.328 1.00 1.00 H new ATOM 0 HB ILE A 20 60.868 7.896 3.079 1.00 1.00 H new ATOM 0 HG12 ILE A 20 58.687 8.422 4.134 1.00 1.00 H new ATOM 0 HG13 ILE A 20 59.627 9.889 3.943 1.00 1.00 H new ATOM 0 HG21 ILE A 20 61.260 10.133 2.068 1.00 1.00 H new ATOM 0 HG22 ILE A 20 61.490 8.822 0.886 1.00 1.00 H new ATOM 0 HG23 ILE A 20 60.002 9.797 0.855 1.00 1.00 H new ATOM 0 HD11 ILE A 20 57.267 10.265 3.265 1.00 1.00 H new ATOM 0 HD12 ILE A 20 58.351 10.452 1.865 1.00 1.00 H new ATOM 0 HD13 ILE A 20 57.396 8.962 2.059 1.00 1.00 H new ATOM 146 N GLN A 21 61.003 5.709 0.825 1.00 1.00 N ATOM 147 CA GLN A 21 61.875 5.149 -0.200 1.00 1.00 C ATOM 148 C GLN A 21 61.023 4.706 -1.382 1.00 1.00 C ATOM 149 O GLN A 21 61.481 4.673 -2.524 1.00 1.00 O ATOM 150 CB GLN A 21 62.662 3.961 0.362 1.00 1.00 C ATOM 151 CG GLN A 21 63.656 4.454 1.419 1.00 1.00 C ATOM 152 CD GLN A 21 64.728 5.320 0.768 1.00 1.00 C ATOM 153 OE1 GLN A 21 65.346 4.911 -0.215 1.00 1.00 O ATOM 154 NE2 GLN A 21 64.991 6.500 1.262 1.00 1.00 N ATOM 0 H GLN A 21 61.049 5.241 1.730 1.00 1.00 H new ATOM 0 HA GLN A 21 62.589 5.905 -0.526 1.00 1.00 H new ATOM 0 HB2 GLN A 21 61.978 3.235 0.802 1.00 1.00 H new ATOM 0 HB3 GLN A 21 63.194 3.452 -0.442 1.00 1.00 H new ATOM 0 HG2 GLN A 21 63.131 5.026 2.184 1.00 1.00 H new ATOM 0 HG3 GLN A 21 64.119 3.603 1.919 1.00 1.00 H new ATOM 0 HE21 GLN A 21 64.478 6.838 2.076 1.00 1.00 H new ATOM 0 HE22 GLN A 21 65.709 7.084 0.833 1.00 1.00 H new ATOM 163 N ALA A 22 59.771 4.380 -1.085 1.00 1.00 N ATOM 164 CA ALA A 22 58.820 3.954 -2.107 1.00 1.00 C ATOM 165 C ALA A 22 58.204 5.182 -2.781 1.00 1.00 C ATOM 166 O ALA A 22 57.724 5.096 -3.909 1.00 1.00 O ATOM 167 CB ALA A 22 57.718 3.060 -1.478 1.00 1.00 C ATOM 0 H ALA A 22 59.388 4.402 -0.140 1.00 1.00 H new ATOM 0 HA ALA A 22 59.343 3.366 -2.861 1.00 1.00 H new ATOM 0 HB1 ALA A 22 57.016 2.750 -2.252 1.00 1.00 H new ATOM 0 HB2 ALA A 22 58.177 2.179 -1.029 1.00 1.00 H new ATOM 0 HB3 ALA A 22 57.187 3.623 -0.711 1.00 1.00 H new ATOM 173 N ILE A 23 58.219 6.318 -2.074 1.00 1.00 N ATOM 174 CA ILE A 23 57.652 7.563 -2.604 1.00 1.00 C ATOM 175 C ILE A 23 57.963 7.689 -4.095 1.00 1.00 C ATOM 176 O ILE A 23 58.860 7.020 -4.600 1.00 1.00 O ATOM 177 CB ILE A 23 58.227 8.776 -1.836 1.00 1.00 C ATOM 178 CG1 ILE A 23 57.302 10.002 -1.996 1.00 1.00 C ATOM 179 CG2 ILE A 23 59.632 9.131 -2.368 1.00 1.00 C ATOM 180 CD1 ILE A 23 55.949 9.765 -1.302 1.00 1.00 C ATOM 0 H ILE A 23 58.616 6.401 -1.138 1.00 1.00 H new ATOM 0 HA ILE A 23 56.570 7.543 -2.472 1.00 1.00 H new ATOM 0 HB ILE A 23 58.295 8.509 -0.781 1.00 1.00 H new ATOM 0 HG12 ILE A 23 57.783 10.883 -1.572 1.00 1.00 H new ATOM 0 HG13 ILE A 23 57.141 10.205 -3.055 1.00 1.00 H new ATOM 0 HG21 ILE A 23 60.024 9.987 -1.818 1.00 1.00 H new ATOM 0 HG22 ILE A 23 60.298 8.278 -2.235 1.00 1.00 H new ATOM 0 HG23 ILE A 23 59.568 9.379 -3.427 1.00 1.00 H new ATOM 0 HD11 ILE A 23 55.316 10.643 -1.429 1.00 1.00 H new ATOM 0 HD12 ILE A 23 55.460 8.898 -1.745 1.00 1.00 H new ATOM 0 HD13 ILE A 23 56.112 9.586 -0.239 1.00 1.00 H new ATOM 192 N GLN A 24 57.222 8.553 -4.772 1.00 1.00 N ATOM 193 CA GLN A 24 57.406 8.785 -6.199 1.00 1.00 C ATOM 194 C GLN A 24 56.807 7.638 -6.996 1.00 1.00 C ATOM 195 O GLN A 24 56.574 7.772 -8.195 1.00 1.00 O ATOM 196 CB GLN A 24 58.891 8.946 -6.551 1.00 1.00 C ATOM 197 CG GLN A 24 59.029 9.604 -7.928 1.00 1.00 C ATOM 198 CD GLN A 24 60.504 9.842 -8.231 1.00 1.00 C ATOM 199 OE1 GLN A 24 61.318 9.939 -7.312 1.00 1.00 O ATOM 200 NE2 GLN A 24 60.902 9.933 -9.470 1.00 1.00 N ATOM 0 H GLN A 24 56.479 9.111 -4.351 1.00 1.00 H new ATOM 0 HA GLN A 24 56.894 9.712 -6.457 1.00 1.00 H new ATOM 0 HB2 GLN A 24 59.390 9.554 -5.796 1.00 1.00 H new ATOM 0 HB3 GLN A 24 59.382 7.973 -6.552 1.00 1.00 H new ATOM 0 HG2 GLN A 24 58.588 8.966 -8.694 1.00 1.00 H new ATOM 0 HG3 GLN A 24 58.485 10.549 -7.948 1.00 1.00 H new ATOM 0 HE21 GLN A 24 60.226 9.852 -10.230 1.00 1.00 H new ATOM 0 HE22 GLN A 24 61.889 10.085 -9.679 1.00 1.00 H new ATOM 209 N LYS A 25 56.559 6.504 -6.329 1.00 1.00 N ATOM 210 CA LYS A 25 55.979 5.354 -7.012 1.00 1.00 C ATOM 211 C LYS A 25 54.556 5.646 -7.488 1.00 1.00 C ATOM 212 O LYS A 25 53.667 4.803 -7.365 1.00 1.00 O ATOM 213 CB LYS A 25 55.965 4.141 -6.082 1.00 1.00 C ATOM 214 CG LYS A 25 55.111 4.431 -4.842 1.00 1.00 C ATOM 215 CD LYS A 25 55.207 3.250 -3.872 1.00 1.00 C ATOM 216 CE LYS A 25 54.606 1.990 -4.503 1.00 1.00 C ATOM 217 NZ LYS A 25 54.257 1.016 -3.429 1.00 1.00 N ATOM 0 H LYS A 25 56.748 6.364 -5.337 1.00 1.00 H new ATOM 0 HA LYS A 25 56.597 5.142 -7.884 1.00 1.00 H new ATOM 0 HB2 LYS A 25 55.569 3.274 -6.610 1.00 1.00 H new ATOM 0 HB3 LYS A 25 56.983 3.893 -5.781 1.00 1.00 H new ATOM 0 HG2 LYS A 25 55.454 5.344 -4.356 1.00 1.00 H new ATOM 0 HG3 LYS A 25 54.073 4.595 -5.132 1.00 1.00 H new ATOM 0 HD2 LYS A 25 56.250 3.071 -3.609 1.00 1.00 H new ATOM 0 HD3 LYS A 25 54.681 3.487 -2.947 1.00 1.00 H new ATOM 0 HE2 LYS A 25 53.717 2.247 -5.079 1.00 1.00 H new ATOM 0 HE3 LYS A 25 55.317 1.543 -5.197 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 53.787 0.189 -3.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 55.124 0.711 -2.942 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 53.616 1.468 -2.746 1.00 1.00 H new ATOM 231 N SER A 26 54.342 6.836 -8.041 1.00 1.00 N ATOM 232 CA SER A 26 53.022 7.217 -8.532 1.00 1.00 C ATOM 233 C SER A 26 52.398 6.090 -9.327 1.00 1.00 C ATOM 234 O SER A 26 51.188 6.060 -9.554 1.00 1.00 O ATOM 235 CB SER A 26 53.129 8.452 -9.422 1.00 1.00 C ATOM 236 OG SER A 26 51.823 8.900 -9.754 1.00 1.00 O ATOM 0 H SER A 26 55.061 7.549 -8.160 1.00 1.00 H new ATOM 0 HA SER A 26 52.393 7.436 -7.669 1.00 1.00 H new ATOM 0 HB2 SER A 26 53.677 9.241 -8.907 1.00 1.00 H new ATOM 0 HB3 SER A 26 53.687 8.215 -10.328 1.00 1.00 H new ATOM 0 HG SER A 26 51.221 8.130 -9.826 1.00 1.00 H new ATOM 242 N ASP A 27 53.230 5.154 -9.728 1.00 1.00 N ATOM 243 CA ASP A 27 52.775 4.002 -10.485 1.00 1.00 C ATOM 244 C ASP A 27 53.660 2.800 -10.137 1.00 1.00 C ATOM 245 O ASP A 27 53.212 1.871 -9.475 1.00 1.00 O ATOM 246 CB ASP A 27 52.812 4.334 -12.003 1.00 1.00 C ATOM 247 CG ASP A 27 53.202 3.107 -12.832 1.00 1.00 C ATOM 248 OD1 ASP A 27 52.420 2.172 -12.868 1.00 1.00 O ATOM 249 OD2 ASP A 27 54.283 3.114 -13.397 1.00 1.00 O ATOM 0 H ASP A 27 54.233 5.166 -9.542 1.00 1.00 H new ATOM 0 HA ASP A 27 51.746 3.751 -10.228 1.00 1.00 H new ATOM 0 HB2 ASP A 27 51.834 4.695 -12.322 1.00 1.00 H new ATOM 0 HB3 ASP A 27 53.524 5.139 -12.184 1.00 1.00 H new ATOM 254 N GLU A 28 54.913 2.840 -10.573 1.00 1.00 N ATOM 255 CA GLU A 28 55.859 1.771 -10.311 1.00 1.00 C ATOM 256 C GLU A 28 55.231 0.400 -10.530 1.00 1.00 C ATOM 257 O GLU A 28 55.559 -0.559 -9.830 1.00 1.00 O ATOM 258 CB GLU A 28 56.402 1.887 -8.883 1.00 1.00 C ATOM 259 CG GLU A 28 57.757 1.188 -8.793 1.00 1.00 C ATOM 260 CD GLU A 28 58.225 1.119 -7.344 1.00 1.00 C ATOM 261 OE1 GLU A 28 57.622 1.778 -6.514 1.00 1.00 O ATOM 262 OE2 GLU A 28 59.176 0.400 -7.083 1.00 1.00 O ATOM 0 H GLU A 28 55.298 3.613 -11.116 1.00 1.00 H new ATOM 0 HA GLU A 28 56.683 1.873 -11.017 1.00 1.00 H new ATOM 0 HB2 GLU A 28 56.503 2.936 -8.606 1.00 1.00 H new ATOM 0 HB3 GLU A 28 55.702 1.437 -8.179 1.00 1.00 H new ATOM 0 HG2 GLU A 28 57.682 0.182 -9.206 1.00 1.00 H new ATOM 0 HG3 GLU A 28 58.491 1.725 -9.394 1.00 1.00 H new ATOM 269 N GLY A 29 54.322 0.304 -11.499 1.00 1.00 N ATOM 270 CA GLY A 29 53.647 -0.960 -11.784 1.00 1.00 C ATOM 271 C GLY A 29 52.371 -1.079 -10.953 1.00 1.00 C ATOM 272 O GLY A 29 51.829 -2.169 -10.776 1.00 1.00 O ATOM 0 H GLY A 29 54.038 1.081 -12.096 1.00 1.00 H new ATOM 0 HA2 GLY A 29 53.405 -1.020 -12.845 1.00 1.00 H new ATOM 0 HA3 GLY A 29 54.313 -1.794 -11.562 1.00 1.00 H new ATOM 276 N HIS A 30 51.938 0.054 -10.403 1.00 1.00 N ATOM 277 CA HIS A 30 50.768 0.095 -9.543 1.00 1.00 C ATOM 278 C HIS A 30 50.808 -1.027 -8.494 1.00 1.00 C ATOM 279 O HIS A 30 49.828 -1.754 -8.334 1.00 1.00 O ATOM 280 CB HIS A 30 49.491 -0.019 -10.392 1.00 1.00 C ATOM 281 CG HIS A 30 49.191 1.313 -11.027 1.00 1.00 C ATOM 282 ND1 HIS A 30 48.781 2.404 -10.278 1.00 1.00 N ATOM 283 CD2 HIS A 30 49.239 1.750 -12.329 1.00 1.00 C ATOM 284 CE1 HIS A 30 48.600 3.435 -11.123 1.00 1.00 C ATOM 285 NE2 HIS A 30 48.866 3.091 -12.386 1.00 1.00 N ATOM 0 H HIS A 30 52.387 0.959 -10.542 1.00 1.00 H new ATOM 0 HA HIS A 30 50.767 1.048 -9.015 1.00 1.00 H new ATOM 0 HB2 HIS A 30 49.620 -0.780 -11.161 1.00 1.00 H new ATOM 0 HB3 HIS A 30 48.654 -0.334 -9.769 1.00 1.00 H new ATOM 0 HD2 HIS A 30 49.523 1.146 -13.178 1.00 1.00 H new ATOM 0 HE1 HIS A 30 48.279 4.420 -10.818 1.00 1.00 H new ATOM 0 HE2 HIS A 30 48.808 3.683 -13.214 1.00 1.00 H new ATOM 293 N PRO A 31 51.894 -1.180 -7.752 1.00 1.00 N ATOM 294 CA PRO A 31 51.980 -2.231 -6.701 1.00 1.00 C ATOM 295 C PRO A 31 51.379 -1.722 -5.400 1.00 1.00 C ATOM 296 O PRO A 31 50.705 -2.450 -4.677 1.00 1.00 O ATOM 297 CB PRO A 31 53.486 -2.471 -6.551 1.00 1.00 C ATOM 298 CG PRO A 31 54.140 -1.168 -6.923 1.00 1.00 C ATOM 299 CD PRO A 31 53.142 -0.385 -7.813 1.00 1.00 C ATOM 0 HA PRO A 31 51.435 -3.140 -6.955 1.00 1.00 H new ATOM 0 HB2 PRO A 31 53.738 -2.759 -5.530 1.00 1.00 H new ATOM 0 HB3 PRO A 31 53.821 -3.278 -7.202 1.00 1.00 H new ATOM 0 HG2 PRO A 31 54.389 -0.595 -6.030 1.00 1.00 H new ATOM 0 HG3 PRO A 31 55.073 -1.346 -7.458 1.00 1.00 H new ATOM 0 HD2 PRO A 31 52.987 0.628 -7.441 1.00 1.00 H new ATOM 0 HD3 PRO A 31 53.507 -0.296 -8.836 1.00 1.00 H new ATOM 307 N PHE A 32 51.625 -0.446 -5.133 1.00 1.00 N ATOM 308 CA PHE A 32 51.118 0.203 -3.932 1.00 1.00 C ATOM 309 C PHE A 32 51.156 -0.749 -2.731 1.00 1.00 C ATOM 310 O PHE A 32 52.164 -0.826 -2.031 1.00 1.00 O ATOM 311 CB PHE A 32 49.692 0.691 -4.180 1.00 1.00 C ATOM 312 CG PHE A 32 49.212 1.474 -2.983 1.00 1.00 C ATOM 313 CD1 PHE A 32 49.819 2.695 -2.662 1.00 1.00 C ATOM 314 CD2 PHE A 32 48.157 0.990 -2.201 1.00 1.00 C ATOM 315 CE1 PHE A 32 49.374 3.431 -1.559 1.00 1.00 C ATOM 316 CE2 PHE A 32 47.708 1.726 -1.099 1.00 1.00 C ATOM 317 CZ PHE A 32 48.316 2.947 -0.777 1.00 1.00 C ATOM 0 H PHE A 32 52.177 0.163 -5.737 1.00 1.00 H new ATOM 0 HA PHE A 32 51.757 1.055 -3.700 1.00 1.00 H new ATOM 0 HB2 PHE A 32 49.660 1.316 -5.073 1.00 1.00 H new ATOM 0 HB3 PHE A 32 49.032 -0.158 -4.361 1.00 1.00 H new ATOM 0 HD1 PHE A 32 50.632 3.069 -3.267 1.00 1.00 H new ATOM 0 HD2 PHE A 32 47.689 0.048 -2.448 1.00 1.00 H new ATOM 0 HE1 PHE A 32 49.845 4.371 -1.310 1.00 1.00 H new ATOM 0 HE2 PHE A 32 46.893 1.353 -0.497 1.00 1.00 H new ATOM 0 HZ PHE A 32 47.969 3.515 0.074 1.00 1.00 H new ATOM 327 N ARG A 33 50.060 -1.462 -2.492 1.00 1.00 N ATOM 328 CA ARG A 33 49.993 -2.387 -1.368 1.00 1.00 C ATOM 329 C ARG A 33 50.896 -3.596 -1.580 1.00 1.00 C ATOM 330 O ARG A 33 51.462 -4.129 -0.630 1.00 1.00 O ATOM 331 CB ARG A 33 48.548 -2.832 -1.136 1.00 1.00 C ATOM 332 CG ARG A 33 48.014 -3.562 -2.385 1.00 1.00 C ATOM 333 CD ARG A 33 46.571 -4.040 -2.140 1.00 1.00 C ATOM 334 NE ARG A 33 46.078 -4.775 -3.299 1.00 1.00 N ATOM 335 CZ ARG A 33 44.784 -5.031 -3.447 1.00 1.00 C ATOM 336 NH1 ARG A 33 43.930 -4.611 -2.553 1.00 1.00 N ATOM 337 NH2 ARG A 33 44.366 -5.701 -4.487 1.00 1.00 N ATOM 0 H ARG A 33 49.212 -1.417 -3.057 1.00 1.00 H new ATOM 0 HA ARG A 33 50.350 -1.862 -0.482 1.00 1.00 H new ATOM 0 HB2 ARG A 33 48.497 -3.491 -0.270 1.00 1.00 H new ATOM 0 HB3 ARG A 33 47.923 -1.966 -0.916 1.00 1.00 H new ATOM 0 HG2 ARG A 33 48.043 -2.895 -3.246 1.00 1.00 H new ATOM 0 HG3 ARG A 33 48.653 -4.413 -2.619 1.00 1.00 H new ATOM 0 HD2 ARG A 33 46.537 -4.676 -1.256 1.00 1.00 H new ATOM 0 HD3 ARG A 33 45.926 -3.184 -1.942 1.00 1.00 H new ATOM 0 HE ARG A 33 46.738 -5.097 -4.007 1.00 1.00 H new ATOM 0 HH11 ARG A 33 44.257 -4.087 -1.742 1.00 1.00 H new ATOM 0 HH12 ARG A 33 42.935 -4.807 -2.666 1.00 1.00 H new ATOM 0 HH21 ARG A 33 45.034 -6.028 -5.185 1.00 1.00 H new ATOM 0 HH22 ARG A 33 43.372 -5.898 -4.601 1.00 1.00 H new ATOM 351 N ALA A 34 51.016 -4.047 -2.816 1.00 1.00 N ATOM 352 CA ALA A 34 51.850 -5.214 -3.081 1.00 1.00 C ATOM 353 C ALA A 34 53.258 -4.999 -2.495 1.00 1.00 C ATOM 354 O ALA A 34 53.909 -5.951 -2.063 1.00 1.00 O ATOM 355 CB ALA A 34 51.929 -5.531 -4.591 1.00 1.00 C ATOM 0 H ALA A 34 50.562 -3.640 -3.634 1.00 1.00 H new ATOM 0 HA ALA A 34 51.389 -6.074 -2.595 1.00 1.00 H new ATOM 0 HB1 ALA A 34 52.559 -6.407 -4.746 1.00 1.00 H new ATOM 0 HB2 ALA A 34 50.928 -5.732 -4.973 1.00 1.00 H new ATOM 0 HB3 ALA A 34 52.355 -4.679 -5.120 1.00 1.00 H new ATOM 361 N TYR A 35 53.710 -3.740 -2.455 1.00 1.00 N ATOM 362 CA TYR A 35 55.032 -3.419 -1.880 1.00 1.00 C ATOM 363 C TYR A 35 55.019 -3.628 -0.354 1.00 1.00 C ATOM 364 O TYR A 35 56.016 -4.051 0.230 1.00 1.00 O ATOM 365 CB TYR A 35 55.464 -1.949 -2.222 1.00 1.00 C ATOM 366 CG TYR A 35 56.790 -1.923 -3.005 1.00 1.00 C ATOM 367 CD1 TYR A 35 58.016 -1.872 -2.302 1.00 1.00 C ATOM 368 CD2 TYR A 35 56.813 -1.941 -4.425 1.00 1.00 C ATOM 369 CE1 TYR A 35 59.228 -1.839 -2.998 1.00 1.00 C ATOM 370 CE2 TYR A 35 58.039 -1.906 -5.104 1.00 1.00 C ATOM 371 CZ TYR A 35 59.240 -1.856 -4.393 1.00 1.00 C ATOM 372 OH TYR A 35 60.441 -1.822 -5.071 1.00 1.00 O ATOM 0 H TYR A 35 53.193 -2.934 -2.807 1.00 1.00 H new ATOM 0 HA TYR A 35 55.761 -4.096 -2.325 1.00 1.00 H new ATOM 0 HB2 TYR A 35 54.683 -1.465 -2.809 1.00 1.00 H new ATOM 0 HB3 TYR A 35 55.572 -1.376 -1.301 1.00 1.00 H new ATOM 0 HD1 TYR A 35 58.016 -1.858 -1.222 1.00 1.00 H new ATOM 0 HD2 TYR A 35 55.888 -1.982 -4.981 1.00 1.00 H new ATOM 0 HE1 TYR A 35 60.160 -1.800 -2.453 1.00 1.00 H new ATOM 0 HE2 TYR A 35 58.055 -1.918 -6.184 1.00 1.00 H new ATOM 0 HH TYR A 35 60.381 -1.183 -5.812 1.00 1.00 H new ATOM 382 N LEU A 36 53.889 -3.309 0.281 1.00 1.00 N ATOM 383 CA LEU A 36 53.760 -3.444 1.740 1.00 1.00 C ATOM 384 C LEU A 36 53.962 -4.893 2.175 1.00 1.00 C ATOM 385 O LEU A 36 54.441 -5.160 3.274 1.00 1.00 O ATOM 386 CB LEU A 36 52.383 -2.952 2.202 1.00 1.00 C ATOM 387 CG LEU A 36 52.400 -1.421 2.381 1.00 1.00 C ATOM 388 CD1 LEU A 36 53.010 -0.718 1.157 1.00 1.00 C ATOM 389 CD2 LEU A 36 50.970 -0.939 2.575 1.00 1.00 C ATOM 0 H LEU A 36 53.053 -2.957 -0.186 1.00 1.00 H new ATOM 0 HA LEU A 36 54.534 -2.831 2.203 1.00 1.00 H new ATOM 0 HB2 LEU A 36 51.624 -3.232 1.471 1.00 1.00 H new ATOM 0 HB3 LEU A 36 52.113 -3.433 3.142 1.00 1.00 H new ATOM 0 HG LEU A 36 53.013 -1.179 3.249 1.00 1.00 H new ATOM 0 HD11 LEU A 36 53.006 0.360 1.317 1.00 1.00 H new ATOM 0 HD12 LEU A 36 54.035 -1.060 1.014 1.00 1.00 H new ATOM 0 HD13 LEU A 36 52.422 -0.955 0.271 1.00 1.00 H new ATOM 0 HD21 LEU A 36 50.965 0.143 2.703 1.00 1.00 H new ATOM 0 HD22 LEU A 36 50.375 -1.204 1.701 1.00 1.00 H new ATOM 0 HD23 LEU A 36 50.544 -1.411 3.460 1.00 1.00 H new ATOM 401 N GLU A 37 53.589 -5.825 1.322 1.00 1.00 N ATOM 402 CA GLU A 37 53.739 -7.222 1.658 1.00 1.00 C ATOM 403 C GLU A 37 55.189 -7.519 2.048 1.00 1.00 C ATOM 404 O GLU A 37 55.450 -8.185 3.049 1.00 1.00 O ATOM 405 CB GLU A 37 53.338 -8.064 0.446 1.00 1.00 C ATOM 406 CG GLU A 37 53.631 -9.540 0.708 1.00 1.00 C ATOM 407 CD GLU A 37 52.940 -10.015 1.984 1.00 1.00 C ATOM 408 OE1 GLU A 37 53.433 -9.704 3.057 1.00 1.00 O ATOM 409 OE2 GLU A 37 51.934 -10.694 1.868 1.00 1.00 O ATOM 0 H GLU A 37 53.185 -5.642 0.403 1.00 1.00 H new ATOM 0 HA GLU A 37 53.099 -7.467 2.506 1.00 1.00 H new ATOM 0 HB2 GLU A 37 52.277 -7.928 0.235 1.00 1.00 H new ATOM 0 HB3 GLU A 37 53.884 -7.728 -0.436 1.00 1.00 H new ATOM 0 HG2 GLU A 37 53.292 -10.138 -0.138 1.00 1.00 H new ATOM 0 HG3 GLU A 37 54.707 -9.691 0.794 1.00 1.00 H new ATOM 416 N SER A 38 56.120 -7.030 1.233 1.00 1.00 N ATOM 417 CA SER A 38 57.546 -7.247 1.473 1.00 1.00 C ATOM 418 C SER A 38 58.078 -6.396 2.626 1.00 1.00 C ATOM 419 O SER A 38 59.147 -6.678 3.166 1.00 1.00 O ATOM 420 CB SER A 38 58.337 -6.935 0.204 1.00 1.00 C ATOM 421 OG SER A 38 58.159 -5.566 -0.138 1.00 1.00 O ATOM 0 H SER A 38 55.913 -6.480 0.399 1.00 1.00 H new ATOM 0 HA SER A 38 57.672 -8.294 1.750 1.00 1.00 H new ATOM 0 HB2 SER A 38 59.395 -7.148 0.360 1.00 1.00 H new ATOM 0 HB3 SER A 38 58.000 -7.572 -0.614 1.00 1.00 H new ATOM 0 HG SER A 38 57.370 -5.213 0.324 1.00 1.00 H new ATOM 427 N GLU A 39 57.349 -5.341 2.981 1.00 1.00 N ATOM 428 CA GLU A 39 57.793 -4.452 4.047 1.00 1.00 C ATOM 429 C GLU A 39 57.862 -5.192 5.376 1.00 1.00 C ATOM 430 O GLU A 39 58.473 -4.718 6.335 1.00 1.00 O ATOM 431 CB GLU A 39 56.845 -3.243 4.192 1.00 1.00 C ATOM 432 CG GLU A 39 57.000 -2.296 2.990 1.00 1.00 C ATOM 433 CD GLU A 39 58.398 -1.683 2.967 1.00 1.00 C ATOM 434 OE1 GLU A 39 59.044 -1.685 4.003 1.00 1.00 O ATOM 435 OE2 GLU A 39 58.799 -1.214 1.915 1.00 1.00 O ATOM 0 H GLU A 39 56.460 -5.084 2.552 1.00 1.00 H new ATOM 0 HA GLU A 39 58.788 -4.096 3.779 1.00 1.00 H new ATOM 0 HB2 GLU A 39 55.813 -3.588 4.261 1.00 1.00 H new ATOM 0 HB3 GLU A 39 57.065 -2.708 5.116 1.00 1.00 H new ATOM 0 HG2 GLU A 39 56.821 -2.842 2.064 1.00 1.00 H new ATOM 0 HG3 GLU A 39 56.251 -1.506 3.044 1.00 1.00 H new ATOM 442 N VAL A 40 57.205 -6.344 5.435 1.00 1.00 N ATOM 443 CA VAL A 40 57.172 -7.121 6.668 1.00 1.00 C ATOM 444 C VAL A 40 58.548 -7.701 7.027 1.00 1.00 C ATOM 445 O VAL A 40 58.996 -7.578 8.168 1.00 1.00 O ATOM 446 CB VAL A 40 56.126 -8.251 6.580 1.00 1.00 C ATOM 447 CG1 VAL A 40 56.285 -9.190 7.785 1.00 1.00 C ATOM 448 CG2 VAL A 40 54.704 -7.663 6.600 1.00 1.00 C ATOM 0 H VAL A 40 56.694 -6.757 4.655 1.00 1.00 H new ATOM 0 HA VAL A 40 56.886 -6.434 7.464 1.00 1.00 H new ATOM 0 HB VAL A 40 56.281 -8.799 5.650 1.00 1.00 H new ATOM 0 HG11 VAL A 40 55.546 -9.989 7.724 1.00 1.00 H new ATOM 0 HG12 VAL A 40 57.286 -9.621 7.781 1.00 1.00 H new ATOM 0 HG13 VAL A 40 56.136 -8.628 8.707 1.00 1.00 H new ATOM 0 HG21 VAL A 40 53.975 -8.471 6.537 1.00 1.00 H new ATOM 0 HG22 VAL A 40 54.552 -7.109 7.526 1.00 1.00 H new ATOM 0 HG23 VAL A 40 54.576 -6.992 5.751 1.00 1.00 H new ATOM 458 N ALA A 41 59.211 -8.343 6.068 1.00 1.00 N ATOM 459 CA ALA A 41 60.524 -8.935 6.338 1.00 1.00 C ATOM 460 C ALA A 41 61.588 -7.846 6.391 1.00 1.00 C ATOM 461 O ALA A 41 62.736 -8.083 6.769 1.00 1.00 O ATOM 462 CB ALA A 41 60.891 -9.970 5.258 1.00 1.00 C ATOM 0 H ALA A 41 58.872 -8.467 5.114 1.00 1.00 H new ATOM 0 HA ALA A 41 60.478 -9.441 7.302 1.00 1.00 H new ATOM 0 HB1 ALA A 41 61.870 -10.396 5.480 1.00 1.00 H new ATOM 0 HB2 ALA A 41 60.144 -10.764 5.246 1.00 1.00 H new ATOM 0 HB3 ALA A 41 60.919 -9.484 4.283 1.00 1.00 H new ATOM 468 N ILE A 42 61.184 -6.650 5.994 1.00 1.00 N ATOM 469 CA ILE A 42 62.066 -5.485 5.968 1.00 1.00 C ATOM 470 C ILE A 42 61.916 -4.667 7.245 1.00 1.00 C ATOM 471 O ILE A 42 62.879 -4.083 7.739 1.00 1.00 O ATOM 472 CB ILE A 42 61.675 -4.644 4.772 1.00 1.00 C ATOM 473 CG1 ILE A 42 62.027 -5.410 3.502 1.00 1.00 C ATOM 474 CG2 ILE A 42 62.406 -3.298 4.807 1.00 1.00 C ATOM 475 CD1 ILE A 42 61.468 -4.701 2.258 1.00 1.00 C ATOM 0 H ILE A 42 60.234 -6.455 5.679 1.00 1.00 H new ATOM 0 HA ILE A 42 63.106 -5.805 5.897 1.00 1.00 H new ATOM 0 HB ILE A 42 60.604 -4.445 4.794 1.00 1.00 H new ATOM 0 HG12 ILE A 42 63.110 -5.502 3.417 1.00 1.00 H new ATOM 0 HG13 ILE A 42 61.625 -6.421 3.560 1.00 1.00 H new ATOM 0 HG21 ILE A 42 62.115 -2.703 3.941 1.00 1.00 H new ATOM 0 HG22 ILE A 42 62.141 -2.764 5.719 1.00 1.00 H new ATOM 0 HG23 ILE A 42 63.482 -3.468 4.786 1.00 1.00 H new ATOM 0 HD11 ILE A 42 61.733 -5.268 1.366 1.00 1.00 H new ATOM 0 HD12 ILE A 42 60.383 -4.633 2.335 1.00 1.00 H new ATOM 0 HD13 ILE A 42 61.891 -3.699 2.190 1.00 1.00 H new ATOM 487 N SER A 43 60.680 -4.624 7.728 1.00 1.00 N ATOM 488 CA SER A 43 60.301 -3.878 8.939 1.00 1.00 C ATOM 489 C SER A 43 61.494 -3.566 9.860 1.00 1.00 C ATOM 490 O SER A 43 61.553 -2.494 10.463 1.00 1.00 O ATOM 491 CB SER A 43 59.262 -4.686 9.720 1.00 1.00 C ATOM 492 OG SER A 43 58.679 -3.856 10.718 1.00 1.00 O ATOM 0 H SER A 43 59.897 -5.110 7.290 1.00 1.00 H new ATOM 0 HA SER A 43 59.894 -2.922 8.610 1.00 1.00 H new ATOM 0 HB2 SER A 43 58.492 -5.060 9.045 1.00 1.00 H new ATOM 0 HB3 SER A 43 59.731 -5.555 10.181 1.00 1.00 H new ATOM 0 HG SER A 43 58.011 -4.368 11.220 1.00 1.00 H new ATOM 498 N GLU A 44 62.438 -4.498 9.965 1.00 1.00 N ATOM 499 CA GLU A 44 63.617 -4.294 10.822 1.00 1.00 C ATOM 500 C GLU A 44 64.421 -3.060 10.388 1.00 1.00 C ATOM 501 O GLU A 44 64.601 -2.125 11.169 1.00 1.00 O ATOM 502 CB GLU A 44 64.517 -5.541 10.795 1.00 1.00 C ATOM 503 CG GLU A 44 63.919 -6.648 11.678 1.00 1.00 C ATOM 504 CD GLU A 44 64.770 -7.909 11.572 1.00 1.00 C ATOM 505 OE1 GLU A 44 65.743 -7.884 10.836 1.00 1.00 O ATOM 506 OE2 GLU A 44 64.435 -8.881 12.227 1.00 1.00 O ATOM 0 H GLU A 44 62.417 -5.393 9.477 1.00 1.00 H new ATOM 0 HA GLU A 44 63.262 -4.126 11.839 1.00 1.00 H new ATOM 0 HB2 GLU A 44 64.622 -5.900 9.771 1.00 1.00 H new ATOM 0 HB3 GLU A 44 65.516 -5.285 11.148 1.00 1.00 H new ATOM 0 HG2 GLU A 44 63.874 -6.315 12.715 1.00 1.00 H new ATOM 0 HG3 GLU A 44 62.896 -6.861 11.367 1.00 1.00 H new ATOM 513 N GLU A 45 64.900 -3.054 9.142 1.00 1.00 N ATOM 514 CA GLU A 45 65.685 -1.919 8.623 1.00 1.00 C ATOM 515 C GLU A 45 65.308 -1.647 7.173 1.00 1.00 C ATOM 516 O GLU A 45 65.663 -2.411 6.275 1.00 1.00 O ATOM 517 CB GLU A 45 67.181 -2.226 8.706 1.00 1.00 C ATOM 518 CG GLU A 45 67.606 -2.310 10.174 1.00 1.00 C ATOM 519 CD GLU A 45 69.078 -2.697 10.269 1.00 1.00 C ATOM 520 OE1 GLU A 45 69.695 -2.859 9.230 1.00 1.00 O ATOM 521 OE2 GLU A 45 69.566 -2.823 11.379 1.00 1.00 O ATOM 0 H GLU A 45 64.763 -3.813 8.474 1.00 1.00 H new ATOM 0 HA GLU A 45 65.465 -1.040 9.229 1.00 1.00 H new ATOM 0 HB2 GLU A 45 67.398 -3.166 8.199 1.00 1.00 H new ATOM 0 HB3 GLU A 45 67.751 -1.450 8.196 1.00 1.00 H new ATOM 0 HG2 GLU A 45 67.441 -1.351 10.664 1.00 1.00 H new ATOM 0 HG3 GLU A 45 66.994 -3.045 10.697 1.00 1.00 H new ATOM 528 N LEU A 46 64.548 -0.578 6.953 1.00 1.00 N ATOM 529 CA LEU A 46 64.094 -0.245 5.610 1.00 1.00 C ATOM 530 C LEU A 46 65.216 0.201 4.684 1.00 1.00 C ATOM 531 O LEU A 46 65.346 -0.343 3.608 1.00 1.00 O ATOM 532 CB LEU A 46 62.983 0.830 5.669 1.00 1.00 C ATOM 533 CG LEU A 46 61.596 0.175 5.727 1.00 1.00 C ATOM 534 CD1 LEU A 46 61.418 -0.577 7.046 1.00 1.00 C ATOM 535 CD2 LEU A 46 60.525 1.258 5.607 1.00 1.00 C ATOM 0 H LEU A 46 64.237 0.066 7.681 1.00 1.00 H new ATOM 0 HA LEU A 46 63.693 -1.165 5.184 1.00 1.00 H new ATOM 0 HB2 LEU A 46 63.129 1.463 6.545 1.00 1.00 H new ATOM 0 HB3 LEU A 46 63.049 1.477 4.794 1.00 1.00 H new ATOM 0 HG LEU A 46 61.501 -0.534 4.905 1.00 1.00 H new ATOM 0 HD11 LEU A 46 60.430 -1.036 7.073 1.00 1.00 H new ATOM 0 HD12 LEU A 46 62.180 -1.352 7.129 1.00 1.00 H new ATOM 0 HD13 LEU A 46 61.517 0.120 7.878 1.00 1.00 H new ATOM 0 HD21 LEU A 46 59.537 0.799 5.648 1.00 1.00 H new ATOM 0 HD22 LEU A 46 60.630 1.966 6.429 1.00 1.00 H new ATOM 0 HD23 LEU A 46 60.643 1.783 4.659 1.00 1.00 H new ATOM 547 N VAL A 47 65.998 1.197 5.077 1.00 1.00 N ATOM 548 CA VAL A 47 67.064 1.691 4.204 1.00 1.00 C ATOM 549 C VAL A 47 68.219 0.695 4.066 1.00 1.00 C ATOM 550 O VAL A 47 68.797 0.558 2.987 1.00 1.00 O ATOM 551 CB VAL A 47 67.592 3.030 4.722 1.00 1.00 C ATOM 552 CG1 VAL A 47 66.414 3.961 5.021 1.00 1.00 C ATOM 553 CG2 VAL A 47 68.399 2.802 5.998 1.00 1.00 C ATOM 0 H VAL A 47 65.921 1.674 5.976 1.00 1.00 H new ATOM 0 HA VAL A 47 66.629 1.823 3.213 1.00 1.00 H new ATOM 0 HB VAL A 47 68.232 3.485 3.966 1.00 1.00 H new ATOM 0 HG11 VAL A 47 66.789 4.915 5.390 1.00 1.00 H new ATOM 0 HG12 VAL A 47 65.839 4.125 4.109 1.00 1.00 H new ATOM 0 HG13 VAL A 47 65.773 3.506 5.777 1.00 1.00 H new ATOM 0 HG21 VAL A 47 68.775 3.757 6.366 1.00 1.00 H new ATOM 0 HG22 VAL A 47 67.761 2.347 6.755 1.00 1.00 H new ATOM 0 HG23 VAL A 47 69.238 2.140 5.784 1.00 1.00 H new ATOM 563 N GLN A 48 68.575 0.018 5.156 1.00 1.00 N ATOM 564 CA GLN A 48 69.685 -0.936 5.109 1.00 1.00 C ATOM 565 C GLN A 48 69.355 -2.139 4.225 1.00 1.00 C ATOM 566 O GLN A 48 70.130 -2.498 3.341 1.00 1.00 O ATOM 567 CB GLN A 48 70.038 -1.420 6.537 1.00 1.00 C ATOM 568 CG GLN A 48 71.530 -1.803 6.651 1.00 1.00 C ATOM 569 CD GLN A 48 71.982 -2.561 5.404 1.00 1.00 C ATOM 570 OE1 GLN A 48 71.411 -3.598 5.067 1.00 1.00 O ATOM 571 NE2 GLN A 48 72.973 -2.100 4.693 1.00 1.00 N ATOM 0 H GLN A 48 68.123 0.108 6.066 1.00 1.00 H new ATOM 0 HA GLN A 48 70.543 -0.421 4.677 1.00 1.00 H new ATOM 0 HB2 GLN A 48 69.807 -0.634 7.256 1.00 1.00 H new ATOM 0 HB3 GLN A 48 69.420 -2.280 6.794 1.00 1.00 H new ATOM 0 HG2 GLN A 48 72.134 -0.904 6.777 1.00 1.00 H new ATOM 0 HG3 GLN A 48 71.687 -2.420 7.536 1.00 1.00 H new ATOM 0 HE21 GLN A 48 73.445 -1.241 4.973 1.00 1.00 H new ATOM 0 HE22 GLN A 48 73.276 -2.599 3.856 1.00 1.00 H new ATOM 580 N LYS A 49 68.216 -2.766 4.487 1.00 1.00 N ATOM 581 CA LYS A 49 67.807 -3.942 3.724 1.00 1.00 C ATOM 582 C LYS A 49 67.523 -3.570 2.285 1.00 1.00 C ATOM 583 O LYS A 49 67.834 -4.312 1.351 1.00 1.00 O ATOM 584 CB LYS A 49 66.554 -4.550 4.359 1.00 1.00 C ATOM 585 CG LYS A 49 66.168 -5.887 3.681 1.00 1.00 C ATOM 586 CD LYS A 49 67.254 -6.954 3.970 1.00 1.00 C ATOM 587 CE LYS A 49 66.718 -8.399 3.779 1.00 1.00 C ATOM 588 NZ LYS A 49 65.370 -8.524 4.403 1.00 1.00 N ATOM 0 H LYS A 49 67.561 -2.484 5.217 1.00 1.00 H new ATOM 0 HA LYS A 49 68.617 -4.671 3.739 1.00 1.00 H new ATOM 0 HB2 LYS A 49 66.727 -4.716 5.422 1.00 1.00 H new ATOM 0 HB3 LYS A 49 65.725 -3.847 4.278 1.00 1.00 H new ATOM 0 HG2 LYS A 49 65.202 -6.228 4.053 1.00 1.00 H new ATOM 0 HG3 LYS A 49 66.063 -5.743 2.606 1.00 1.00 H new ATOM 0 HD2 LYS A 49 68.105 -6.793 3.308 1.00 1.00 H new ATOM 0 HD3 LYS A 49 67.617 -6.834 4.991 1.00 1.00 H new ATOM 0 HE2 LYS A 49 66.661 -8.638 2.717 1.00 1.00 H new ATOM 0 HE3 LYS A 49 67.406 -9.114 4.230 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 65.195 -9.517 4.656 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 65.328 -7.936 5.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 64.645 -8.206 3.729 1.00 1.00 H new ATOM 602 N TYR A 50 66.944 -2.406 2.123 1.00 1.00 N ATOM 603 CA TYR A 50 66.609 -1.892 0.814 1.00 1.00 C ATOM 604 C TYR A 50 67.860 -1.772 -0.057 1.00 1.00 C ATOM 605 O TYR A 50 67.877 -2.228 -1.200 1.00 1.00 O ATOM 606 CB TYR A 50 65.962 -0.532 1.032 1.00 1.00 C ATOM 607 CG TYR A 50 65.926 0.279 -0.240 1.00 1.00 C ATOM 608 CD1 TYR A 50 65.144 -0.136 -1.320 1.00 1.00 C ATOM 609 CD2 TYR A 50 66.686 1.454 -0.335 1.00 1.00 C ATOM 610 CE1 TYR A 50 65.120 0.620 -2.498 1.00 1.00 C ATOM 611 CE2 TYR A 50 66.670 2.205 -1.505 1.00 1.00 C ATOM 612 CZ TYR A 50 65.885 1.793 -2.593 1.00 1.00 C ATOM 613 OH TYR A 50 65.875 2.526 -3.761 1.00 1.00 O ATOM 0 H TYR A 50 66.691 -1.787 2.893 1.00 1.00 H new ATOM 0 HA TYR A 50 65.928 -2.564 0.292 1.00 1.00 H new ATOM 0 HB2 TYR A 50 64.947 -0.668 1.406 1.00 1.00 H new ATOM 0 HB3 TYR A 50 66.513 0.015 1.797 1.00 1.00 H new ATOM 0 HD1 TYR A 50 64.558 -1.040 -1.246 1.00 1.00 H new ATOM 0 HD2 TYR A 50 67.286 1.776 0.503 1.00 1.00 H new ATOM 0 HE1 TYR A 50 64.514 0.301 -3.333 1.00 1.00 H new ATOM 0 HE2 TYR A 50 67.262 3.106 -1.577 1.00 1.00 H new ATOM 0 HH TYR A 50 66.456 3.309 -3.661 1.00 1.00 H new ATOM 623 N SER A 51 68.902 -1.157 0.493 1.00 1.00 N ATOM 624 CA SER A 51 70.151 -0.985 -0.240 1.00 1.00 C ATOM 625 C SER A 51 70.879 -2.321 -0.410 1.00 1.00 C ATOM 626 O SER A 51 71.562 -2.541 -1.411 1.00 1.00 O ATOM 627 CB SER A 51 71.063 0.001 0.510 1.00 1.00 C ATOM 628 OG SER A 51 71.321 -0.499 1.816 1.00 1.00 O ATOM 0 H SER A 51 68.907 -0.772 1.437 1.00 1.00 H new ATOM 0 HA SER A 51 69.913 -0.592 -1.228 1.00 1.00 H new ATOM 0 HB2 SER A 51 71.999 0.134 -0.033 1.00 1.00 H new ATOM 0 HB3 SER A 51 70.588 0.980 0.570 1.00 1.00 H new ATOM 0 HG SER A 51 70.647 -1.172 2.048 1.00 1.00 H new ATOM 634 N ASN A 52 70.770 -3.191 0.594 1.00 1.00 N ATOM 635 CA ASN A 52 71.463 -4.484 0.562 1.00 1.00 C ATOM 636 C ASN A 52 70.710 -5.568 -0.214 1.00 1.00 C ATOM 637 O ASN A 52 71.197 -6.061 -1.231 1.00 1.00 O ATOM 638 CB ASN A 52 71.686 -4.969 1.999 1.00 1.00 C ATOM 639 CG ASN A 52 72.816 -5.994 2.044 1.00 1.00 C ATOM 640 OD1 ASN A 52 73.777 -5.891 1.281 1.00 1.00 O ATOM 641 ND2 ASN A 52 72.760 -6.981 2.895 1.00 1.00 N ATOM 0 H ASN A 52 70.214 -3.029 1.434 1.00 1.00 H new ATOM 0 HA ASN A 52 72.406 -4.319 0.041 1.00 1.00 H new ATOM 0 HB2 ASN A 52 71.928 -4.123 2.642 1.00 1.00 H new ATOM 0 HB3 ASN A 52 70.769 -5.412 2.387 1.00 1.00 H new ATOM 0 HD21 ASN A 52 73.513 -7.668 2.929 1.00 1.00 H new ATOM 0 HD22 ASN A 52 71.963 -7.065 3.527 1.00 1.00 H new ATOM 648 N SER A 53 69.545 -5.974 0.293 1.00 1.00 N ATOM 649 CA SER A 53 68.776 -7.041 -0.353 1.00 1.00 C ATOM 650 C SER A 53 67.918 -6.507 -1.480 1.00 1.00 C ATOM 651 O SER A 53 66.760 -6.895 -1.635 1.00 1.00 O ATOM 652 CB SER A 53 67.886 -7.738 0.660 1.00 1.00 C ATOM 653 OG SER A 53 68.707 -8.364 1.637 1.00 1.00 O ATOM 0 H SER A 53 69.118 -5.588 1.135 1.00 1.00 H new ATOM 0 HA SER A 53 69.493 -7.750 -0.768 1.00 1.00 H new ATOM 0 HB2 SER A 53 67.218 -7.019 1.133 1.00 1.00 H new ATOM 0 HB3 SER A 53 67.258 -8.478 0.164 1.00 1.00 H new ATOM 0 HG SER A 53 68.426 -9.296 1.751 1.00 1.00 H new ATOM 659 N ALA A 54 68.502 -5.640 -2.279 1.00 1.00 N ATOM 660 CA ALA A 54 67.798 -5.081 -3.412 1.00 1.00 C ATOM 661 C ALA A 54 67.326 -6.216 -4.304 1.00 1.00 C ATOM 662 O ALA A 54 66.378 -6.073 -5.077 1.00 1.00 O ATOM 663 CB ALA A 54 68.724 -4.169 -4.210 1.00 1.00 C ATOM 0 H ALA A 54 69.460 -5.308 -2.165 1.00 1.00 H new ATOM 0 HA ALA A 54 66.948 -4.499 -3.057 1.00 1.00 H new ATOM 0 HB1 ALA A 54 68.182 -3.754 -5.060 1.00 1.00 H new ATOM 0 HB2 ALA A 54 69.074 -3.357 -3.572 1.00 1.00 H new ATOM 0 HB3 ALA A 54 69.579 -4.742 -4.569 1.00 1.00 H new ATOM 669 N LEU A 55 68.040 -7.339 -4.202 1.00 1.00 N ATOM 670 CA LEU A 55 67.742 -8.523 -5.018 1.00 1.00 C ATOM 671 C LEU A 55 66.753 -9.467 -4.333 1.00 1.00 C ATOM 672 O LEU A 55 66.150 -10.321 -4.985 1.00 1.00 O ATOM 673 CB LEU A 55 69.040 -9.288 -5.344 1.00 1.00 C ATOM 674 CG LEU A 55 69.978 -8.408 -6.212 1.00 1.00 C ATOM 675 CD1 LEU A 55 70.910 -7.588 -5.313 1.00 1.00 C ATOM 676 CD2 LEU A 55 70.840 -9.289 -7.135 1.00 1.00 C ATOM 0 H LEU A 55 68.828 -7.456 -3.564 1.00 1.00 H new ATOM 0 HA LEU A 55 67.279 -8.166 -5.938 1.00 1.00 H new ATOM 0 HB2 LEU A 55 69.546 -9.570 -4.421 1.00 1.00 H new ATOM 0 HB3 LEU A 55 68.803 -10.211 -5.873 1.00 1.00 H new ATOM 0 HG LEU A 55 69.358 -7.743 -6.813 1.00 1.00 H new ATOM 0 HD11 LEU A 55 71.564 -6.974 -5.931 1.00 1.00 H new ATOM 0 HD12 LEU A 55 70.316 -6.945 -4.663 1.00 1.00 H new ATOM 0 HD13 LEU A 55 71.513 -8.261 -4.704 1.00 1.00 H new ATOM 0 HD21 LEU A 55 71.492 -8.656 -7.737 1.00 1.00 H new ATOM 0 HD22 LEU A 55 71.446 -9.964 -6.531 1.00 1.00 H new ATOM 0 HD23 LEU A 55 70.193 -9.871 -7.791 1.00 1.00 H new ATOM 688 N GLY A 56 66.615 -9.337 -3.018 1.00 1.00 N ATOM 689 CA GLY A 56 65.721 -10.212 -2.254 1.00 1.00 C ATOM 690 C GLY A 56 64.304 -9.653 -2.158 1.00 1.00 C ATOM 691 O GLY A 56 63.411 -10.307 -1.619 1.00 1.00 O ATOM 0 H GLY A 56 67.106 -8.640 -2.458 1.00 1.00 H new ATOM 0 HA2 GLY A 56 65.690 -11.195 -2.724 1.00 1.00 H new ATOM 0 HA3 GLY A 56 66.123 -10.351 -1.250 1.00 1.00 H new ATOM 695 N HIS A 57 64.096 -8.442 -2.667 1.00 1.00 N ATOM 696 CA HIS A 57 62.770 -7.815 -2.619 1.00 1.00 C ATOM 697 C HIS A 57 62.033 -7.970 -3.945 1.00 1.00 C ATOM 698 O HIS A 57 60.893 -7.526 -4.071 1.00 1.00 O ATOM 699 CB HIS A 57 62.912 -6.323 -2.333 1.00 1.00 C ATOM 700 CG HIS A 57 63.489 -6.126 -0.960 1.00 1.00 C ATOM 701 ND1 HIS A 57 63.485 -7.134 -0.009 1.00 1.00 N ATOM 702 CD2 HIS A 57 64.076 -5.042 -0.360 1.00 1.00 C ATOM 703 CE1 HIS A 57 64.054 -6.637 1.105 1.00 1.00 C ATOM 704 NE2 HIS A 57 64.430 -5.366 0.941 1.00 1.00 N ATOM 0 H HIS A 57 64.818 -7.877 -3.114 1.00 1.00 H new ATOM 0 HA HIS A 57 62.204 -8.310 -1.830 1.00 1.00 H new ATOM 0 HB2 HIS A 57 63.557 -5.859 -3.079 1.00 1.00 H new ATOM 0 HB3 HIS A 57 61.940 -5.835 -2.404 1.00 1.00 H new ATOM 0 HD1 HIS A 57 63.119 -8.078 -0.131 1.00 1.00 H new ATOM 0 HD2 HIS A 57 64.238 -4.083 -0.829 1.00 1.00 H new ATOM 0 HE1 HIS A 57 64.190 -7.197 2.019 1.00 1.00 H new ATOM 712 N VAL A 58 62.688 -8.546 -4.949 1.00 1.00 N ATOM 713 CA VAL A 58 62.054 -8.674 -6.258 1.00 1.00 C ATOM 714 C VAL A 58 61.012 -9.795 -6.307 1.00 1.00 C ATOM 715 O VAL A 58 59.824 -9.521 -6.471 1.00 1.00 O ATOM 716 CB VAL A 58 63.134 -8.893 -7.329 1.00 1.00 C ATOM 717 CG1 VAL A 58 63.879 -10.217 -7.084 1.00 1.00 C ATOM 718 CG2 VAL A 58 62.481 -8.910 -8.716 1.00 1.00 C ATOM 0 H VAL A 58 63.634 -8.923 -4.886 1.00 1.00 H new ATOM 0 HA VAL A 58 61.516 -7.747 -6.455 1.00 1.00 H new ATOM 0 HB VAL A 58 63.855 -8.077 -7.275 1.00 1.00 H new ATOM 0 HG11 VAL A 58 64.640 -10.354 -7.853 1.00 1.00 H new ATOM 0 HG12 VAL A 58 64.354 -10.191 -6.104 1.00 1.00 H new ATOM 0 HG13 VAL A 58 63.171 -11.045 -7.122 1.00 1.00 H new ATOM 0 HG21 VAL A 58 63.246 -9.065 -9.477 1.00 1.00 H new ATOM 0 HG22 VAL A 58 61.752 -9.718 -8.765 1.00 1.00 H new ATOM 0 HG23 VAL A 58 61.980 -7.958 -8.894 1.00 1.00 H new ATOM 728 N ASN A 59 61.434 -11.054 -6.179 1.00 1.00 N ATOM 729 CA ASN A 59 60.472 -12.154 -6.229 1.00 1.00 C ATOM 730 C ASN A 59 59.635 -12.238 -4.965 1.00 1.00 C ATOM 731 O ASN A 59 58.436 -12.508 -5.021 1.00 1.00 O ATOM 732 CB ASN A 59 61.145 -13.496 -6.474 1.00 1.00 C ATOM 733 CG ASN A 59 61.745 -13.531 -7.875 1.00 1.00 C ATOM 734 OD1 ASN A 59 61.344 -12.755 -8.742 1.00 1.00 O ATOM 735 ND2 ASN A 59 62.687 -14.391 -8.149 1.00 1.00 N ATOM 0 H ASN A 59 62.406 -11.332 -6.044 1.00 1.00 H new ATOM 0 HA ASN A 59 59.817 -11.933 -7.071 1.00 1.00 H new ATOM 0 HB2 ASN A 59 61.925 -13.662 -5.731 1.00 1.00 H new ATOM 0 HB3 ASN A 59 60.420 -14.302 -6.360 1.00 1.00 H new ATOM 0 HD21 ASN A 59 63.093 -14.422 -9.084 1.00 1.00 H new ATOM 0 HD22 ASN A 59 63.017 -15.033 -7.428 1.00 1.00 H new ATOM 742 N SER A 60 60.276 -12.033 -3.820 1.00 1.00 N ATOM 743 CA SER A 60 59.570 -12.122 -2.554 1.00 1.00 C ATOM 744 C SER A 60 58.304 -11.291 -2.622 1.00 1.00 C ATOM 745 O SER A 60 57.272 -11.670 -2.083 1.00 1.00 O ATOM 746 CB SER A 60 60.454 -11.619 -1.413 1.00 1.00 C ATOM 747 OG SER A 60 59.649 -11.399 -0.262 1.00 1.00 O ATOM 0 H SER A 60 61.268 -11.808 -3.745 1.00 1.00 H new ATOM 0 HA SER A 60 59.315 -13.165 -2.365 1.00 1.00 H new ATOM 0 HB2 SER A 60 61.234 -12.348 -1.192 1.00 1.00 H new ATOM 0 HB3 SER A 60 60.954 -10.695 -1.704 1.00 1.00 H new ATOM 0 HG SER A 60 60.211 -11.077 0.474 1.00 1.00 H new ATOM 753 N THR A 61 58.392 -10.166 -3.307 1.00 1.00 N ATOM 754 CA THR A 61 57.246 -9.292 -3.466 1.00 1.00 C ATOM 755 C THR A 61 56.121 -10.004 -4.209 1.00 1.00 C ATOM 756 O THR A 61 54.953 -9.891 -3.836 1.00 1.00 O ATOM 757 CB THR A 61 57.655 -8.040 -4.246 1.00 1.00 C ATOM 758 OG1 THR A 61 58.619 -7.324 -3.489 1.00 1.00 O ATOM 759 CG2 THR A 61 56.429 -7.153 -4.478 1.00 1.00 C ATOM 0 H THR A 61 59.244 -9.837 -3.761 1.00 1.00 H new ATOM 0 HA THR A 61 56.889 -9.011 -2.475 1.00 1.00 H new ATOM 0 HB THR A 61 58.075 -8.327 -5.210 1.00 1.00 H new ATOM 0 HG1 THR A 61 59.410 -7.156 -4.042 1.00 1.00 H new ATOM 0 HG21 THR A 61 56.724 -6.263 -5.033 1.00 1.00 H new ATOM 0 HG22 THR A 61 55.683 -7.706 -5.048 1.00 1.00 H new ATOM 0 HG23 THR A 61 56.006 -6.858 -3.518 1.00 1.00 H new ATOM 767 N ILE A 62 56.480 -10.701 -5.284 1.00 1.00 N ATOM 768 CA ILE A 62 55.490 -11.391 -6.104 1.00 1.00 C ATOM 769 C ILE A 62 55.006 -12.694 -5.469 1.00 1.00 C ATOM 770 O ILE A 62 53.897 -13.151 -5.751 1.00 1.00 O ATOM 771 CB ILE A 62 56.044 -11.672 -7.502 1.00 1.00 C ATOM 772 CG1 ILE A 62 56.742 -10.404 -8.039 1.00 1.00 C ATOM 773 CG2 ILE A 62 54.889 -12.045 -8.439 1.00 1.00 C ATOM 774 CD1 ILE A 62 57.655 -10.768 -9.199 1.00 1.00 C ATOM 0 H ILE A 62 57.443 -10.802 -5.606 1.00 1.00 H new ATOM 0 HA ILE A 62 54.632 -10.723 -6.180 1.00 1.00 H new ATOM 0 HB ILE A 62 56.759 -12.493 -7.453 1.00 1.00 H new ATOM 0 HG12 ILE A 62 55.997 -9.679 -8.365 1.00 1.00 H new ATOM 0 HG13 ILE A 62 57.320 -9.932 -7.244 1.00 1.00 H new ATOM 0 HG21 ILE A 62 55.280 -12.246 -9.436 1.00 1.00 H new ATOM 0 HG22 ILE A 62 54.386 -12.935 -8.060 1.00 1.00 H new ATOM 0 HG23 ILE A 62 54.179 -11.220 -8.487 1.00 1.00 H new ATOM 0 HD11 ILE A 62 58.144 -9.869 -9.573 1.00 1.00 H new ATOM 0 HD12 ILE A 62 58.410 -11.477 -8.859 1.00 1.00 H new ATOM 0 HD13 ILE A 62 57.066 -11.220 -9.998 1.00 1.00 H new ATOM 786 N LYS A 63 55.841 -13.307 -4.641 1.00 1.00 N ATOM 787 CA LYS A 63 55.472 -14.573 -4.009 1.00 1.00 C ATOM 788 C LYS A 63 54.341 -14.428 -2.970 1.00 1.00 C ATOM 789 O LYS A 63 53.299 -15.073 -3.082 1.00 1.00 O ATOM 790 CB LYS A 63 56.719 -15.173 -3.316 1.00 1.00 C ATOM 791 CG LYS A 63 57.646 -15.801 -4.360 1.00 1.00 C ATOM 792 CD LYS A 63 58.872 -16.386 -3.659 1.00 1.00 C ATOM 793 CE LYS A 63 59.753 -17.098 -4.686 1.00 1.00 C ATOM 794 NZ LYS A 63 60.939 -17.684 -3.998 1.00 1.00 N ATOM 0 H LYS A 63 56.766 -12.957 -4.392 1.00 1.00 H new ATOM 0 HA LYS A 63 55.100 -15.227 -4.797 1.00 1.00 H new ATOM 0 HB2 LYS A 63 57.250 -14.395 -2.767 1.00 1.00 H new ATOM 0 HB3 LYS A 63 56.414 -15.925 -2.588 1.00 1.00 H new ATOM 0 HG2 LYS A 63 57.119 -16.582 -4.908 1.00 1.00 H new ATOM 0 HG3 LYS A 63 57.953 -15.051 -5.089 1.00 1.00 H new ATOM 0 HD2 LYS A 63 59.436 -15.593 -3.167 1.00 1.00 H new ATOM 0 HD3 LYS A 63 58.562 -17.085 -2.883 1.00 1.00 H new ATOM 0 HE2 LYS A 63 59.185 -17.882 -5.188 1.00 1.00 H new ATOM 0 HE3 LYS A 63 60.075 -16.396 -5.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 61.540 -18.169 -4.695 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 61.484 -16.926 -3.539 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 60.622 -18.366 -3.280 1.00 1.00 H new ATOM 808 N GLU A 64 54.586 -13.618 -1.940 1.00 1.00 N ATOM 809 CA GLU A 64 53.628 -13.426 -0.836 1.00 1.00 C ATOM 810 C GLU A 64 52.438 -12.495 -1.157 1.00 1.00 C ATOM 811 O GLU A 64 51.423 -12.564 -0.469 1.00 1.00 O ATOM 812 CB GLU A 64 54.370 -12.929 0.434 1.00 1.00 C ATOM 813 CG GLU A 64 55.672 -12.238 0.040 1.00 1.00 C ATOM 814 CD GLU A 64 56.340 -11.616 1.263 1.00 1.00 C ATOM 815 OE1 GLU A 64 55.705 -11.565 2.304 1.00 1.00 O ATOM 816 OE2 GLU A 64 57.479 -11.198 1.136 1.00 1.00 O ATOM 0 H GLU A 64 55.445 -13.077 -1.842 1.00 1.00 H new ATOM 0 HA GLU A 64 53.186 -14.407 -0.664 1.00 1.00 H new ATOM 0 HB2 GLU A 64 53.735 -12.238 0.989 1.00 1.00 H new ATOM 0 HB3 GLU A 64 54.580 -13.770 1.095 1.00 1.00 H new ATOM 0 HG2 GLU A 64 56.347 -12.958 -0.423 1.00 1.00 H new ATOM 0 HG3 GLU A 64 55.470 -11.466 -0.703 1.00 1.00 H new ATOM 823 N LEU A 65 52.577 -11.583 -2.120 1.00 1.00 N ATOM 824 CA LEU A 65 51.492 -10.621 -2.406 1.00 1.00 C ATOM 825 C LEU A 65 50.085 -11.219 -2.221 1.00 1.00 C ATOM 826 O LEU A 65 49.138 -10.488 -1.933 1.00 1.00 O ATOM 827 CB LEU A 65 51.646 -10.001 -3.817 1.00 1.00 C ATOM 828 CG LEU A 65 52.165 -11.019 -4.821 1.00 1.00 C ATOM 829 CD1 LEU A 65 51.350 -12.306 -4.770 1.00 1.00 C ATOM 830 CD2 LEU A 65 52.085 -10.415 -6.225 1.00 1.00 C ATOM 0 H LEU A 65 53.405 -11.484 -2.707 1.00 1.00 H new ATOM 0 HA LEU A 65 51.591 -9.828 -1.665 1.00 1.00 H new ATOM 0 HB2 LEU A 65 50.683 -9.616 -4.153 1.00 1.00 H new ATOM 0 HB3 LEU A 65 52.330 -9.154 -3.770 1.00 1.00 H new ATOM 0 HG LEU A 65 53.198 -11.263 -4.572 1.00 1.00 H new ATOM 0 HD11 LEU A 65 51.744 -13.015 -5.498 1.00 1.00 H new ATOM 0 HD12 LEU A 65 51.414 -12.738 -3.771 1.00 1.00 H new ATOM 0 HD13 LEU A 65 50.308 -12.086 -5.004 1.00 1.00 H new ATOM 0 HD21 LEU A 65 52.455 -11.137 -6.953 1.00 1.00 H new ATOM 0 HD22 LEU A 65 51.049 -10.165 -6.455 1.00 1.00 H new ATOM 0 HD23 LEU A 65 52.694 -9.512 -6.268 1.00 1.00 H new ATOM 842 N ARG A 66 49.948 -12.530 -2.373 1.00 1.00 N ATOM 843 CA ARG A 66 48.651 -13.182 -2.198 1.00 1.00 C ATOM 844 C ARG A 66 48.255 -13.195 -0.717 1.00 1.00 C ATOM 845 O ARG A 66 47.092 -13.001 -0.362 1.00 1.00 O ATOM 846 CB ARG A 66 48.708 -14.619 -2.736 1.00 1.00 C ATOM 847 CG ARG A 66 50.039 -15.267 -2.337 1.00 1.00 C ATOM 848 CD ARG A 66 50.002 -16.758 -2.675 1.00 1.00 C ATOM 849 NE ARG A 66 51.260 -17.396 -2.289 1.00 1.00 N ATOM 850 CZ ARG A 66 52.284 -17.490 -3.134 1.00 1.00 C ATOM 851 NH1 ARG A 66 52.185 -17.013 -4.346 1.00 1.00 N ATOM 852 NH2 ARG A 66 53.396 -18.058 -2.751 1.00 1.00 N ATOM 0 H ARG A 66 50.712 -13.161 -2.615 1.00 1.00 H new ATOM 0 HA ARG A 66 47.902 -12.621 -2.756 1.00 1.00 H new ATOM 0 HB2 ARG A 66 47.876 -15.200 -2.338 1.00 1.00 H new ATOM 0 HB3 ARG A 66 48.605 -14.616 -3.821 1.00 1.00 H new ATOM 0 HG2 ARG A 66 50.863 -14.784 -2.863 1.00 1.00 H new ATOM 0 HG3 ARG A 66 50.217 -15.129 -1.271 1.00 1.00 H new ATOM 0 HD2 ARG A 66 49.170 -17.235 -2.157 1.00 1.00 H new ATOM 0 HD3 ARG A 66 49.831 -16.892 -3.743 1.00 1.00 H new ATOM 0 HE ARG A 66 51.355 -17.779 -1.348 1.00 1.00 H new ATOM 0 HH11 ARG A 66 51.320 -16.566 -4.649 1.00 1.00 H new ATOM 0 HH12 ARG A 66 52.973 -17.088 -4.989 1.00 1.00 H new ATOM 0 HH21 ARG A 66 53.479 -18.429 -1.805 1.00 1.00 H new ATOM 0 HH22 ARG A 66 54.181 -18.130 -3.398 1.00 1.00 H new ATOM 866 N ARG A 67 49.249 -13.440 0.127 1.00 1.00 N ATOM 867 CA ARG A 67 49.067 -13.509 1.580 1.00 1.00 C ATOM 868 C ARG A 67 48.630 -12.178 2.183 1.00 1.00 C ATOM 869 O ARG A 67 47.858 -12.159 3.139 1.00 1.00 O ATOM 870 CB ARG A 67 50.378 -13.960 2.230 1.00 1.00 C ATOM 871 CG ARG A 67 50.581 -15.468 2.024 1.00 1.00 C ATOM 872 CD ARG A 67 51.963 -15.877 2.552 1.00 1.00 C ATOM 873 NE ARG A 67 52.044 -15.638 3.991 1.00 1.00 N ATOM 874 CZ ARG A 67 51.607 -16.537 4.868 1.00 1.00 C ATOM 875 NH1 ARG A 67 51.083 -17.656 4.450 1.00 1.00 N ATOM 876 NH2 ARG A 67 51.701 -16.299 6.149 1.00 1.00 N ATOM 0 H ARG A 67 50.211 -13.598 -0.174 1.00 1.00 H new ATOM 0 HA ARG A 67 48.271 -14.227 1.777 1.00 1.00 H new ATOM 0 HB2 ARG A 67 51.214 -13.411 1.798 1.00 1.00 H new ATOM 0 HB3 ARG A 67 50.362 -13.730 3.295 1.00 1.00 H new ATOM 0 HG2 ARG A 67 49.802 -16.025 2.545 1.00 1.00 H new ATOM 0 HG3 ARG A 67 50.497 -15.716 0.966 1.00 1.00 H new ATOM 0 HD2 ARG A 67 52.144 -16.931 2.340 1.00 1.00 H new ATOM 0 HD3 ARG A 67 52.739 -15.311 2.038 1.00 1.00 H new ATOM 0 HE ARG A 67 52.444 -14.763 4.330 1.00 1.00 H new ATOM 0 HH11 ARG A 67 51.008 -17.842 3.450 1.00 1.00 H new ATOM 0 HH12 ARG A 67 50.748 -18.345 5.123 1.00 1.00 H new ATOM 0 HH21 ARG A 67 52.110 -15.424 6.476 1.00 1.00 H new ATOM 0 HH22 ARG A 67 51.366 -16.989 6.822 1.00 1.00 H new ATOM 890 N LEU A 68 49.138 -11.075 1.655 1.00 1.00 N ATOM 891 CA LEU A 68 48.794 -9.765 2.208 1.00 1.00 C ATOM 892 C LEU A 68 47.293 -9.522 2.142 1.00 1.00 C ATOM 893 O LEU A 68 46.697 -9.011 3.087 1.00 1.00 O ATOM 894 CB LEU A 68 49.529 -8.649 1.449 1.00 1.00 C ATOM 895 CG LEU A 68 49.101 -7.266 1.971 1.00 1.00 C ATOM 896 CD1 LEU A 68 49.337 -7.171 3.485 1.00 1.00 C ATOM 897 CD2 LEU A 68 49.927 -6.189 1.258 1.00 1.00 C ATOM 0 H LEU A 68 49.777 -11.054 0.861 1.00 1.00 H new ATOM 0 HA LEU A 68 49.105 -9.754 3.253 1.00 1.00 H new ATOM 0 HB2 LEU A 68 50.606 -8.771 1.566 1.00 1.00 H new ATOM 0 HB3 LEU A 68 49.314 -8.724 0.383 1.00 1.00 H new ATOM 0 HG LEU A 68 48.039 -7.119 1.772 1.00 1.00 H new ATOM 0 HD11 LEU A 68 49.030 -6.187 3.840 1.00 1.00 H new ATOM 0 HD12 LEU A 68 48.754 -7.939 3.993 1.00 1.00 H new ATOM 0 HD13 LEU A 68 50.396 -7.319 3.698 1.00 1.00 H new ATOM 0 HD21 LEU A 68 49.632 -5.204 1.621 1.00 1.00 H new ATOM 0 HD22 LEU A 68 50.986 -6.348 1.462 1.00 1.00 H new ATOM 0 HD23 LEU A 68 49.752 -6.248 0.184 1.00 1.00 H new ATOM 909 N PHE A 69 46.693 -9.876 1.020 1.00 1.00 N ATOM 910 CA PHE A 69 45.263 -9.676 0.836 1.00 1.00 C ATOM 911 C PHE A 69 44.455 -10.586 1.760 1.00 1.00 C ATOM 912 O PHE A 69 43.444 -10.167 2.324 1.00 1.00 O ATOM 913 CB PHE A 69 44.889 -9.946 -0.622 1.00 1.00 C ATOM 914 CG PHE A 69 45.793 -9.178 -1.586 1.00 1.00 C ATOM 915 CD1 PHE A 69 46.577 -8.073 -1.175 1.00 1.00 C ATOM 916 CD2 PHE A 69 45.847 -9.593 -2.923 1.00 1.00 C ATOM 917 CE1 PHE A 69 47.392 -7.403 -2.094 1.00 1.00 C ATOM 918 CE2 PHE A 69 46.664 -8.925 -3.842 1.00 1.00 C ATOM 919 CZ PHE A 69 47.440 -7.828 -3.430 1.00 1.00 C ATOM 0 H PHE A 69 47.169 -10.302 0.225 1.00 1.00 H new ATOM 0 HA PHE A 69 45.025 -8.643 1.089 1.00 1.00 H new ATOM 0 HB2 PHE A 69 44.963 -11.014 -0.825 1.00 1.00 H new ATOM 0 HB3 PHE A 69 43.851 -9.661 -0.791 1.00 1.00 H new ATOM 0 HD1 PHE A 69 46.546 -7.745 -0.146 1.00 1.00 H new ATOM 0 HD2 PHE A 69 45.253 -10.435 -3.247 1.00 1.00 H new ATOM 0 HE1 PHE A 69 47.984 -6.558 -1.775 1.00 1.00 H new ATOM 0 HE2 PHE A 69 46.698 -9.253 -4.870 1.00 1.00 H new ATOM 0 HZ PHE A 69 48.071 -7.314 -4.140 1.00 1.00 H new ATOM 929 N LEU A 70 44.893 -11.831 1.911 1.00 1.00 N ATOM 930 CA LEU A 70 44.180 -12.772 2.768 1.00 1.00 C ATOM 931 C LEU A 70 44.194 -12.300 4.221 1.00 1.00 C ATOM 932 O LEU A 70 43.182 -12.377 4.918 1.00 1.00 O ATOM 933 CB LEU A 70 44.824 -14.159 2.675 1.00 1.00 C ATOM 934 CG LEU A 70 44.607 -14.752 1.273 1.00 1.00 C ATOM 935 CD1 LEU A 70 45.468 -16.011 1.123 1.00 1.00 C ATOM 936 CD2 LEU A 70 43.124 -15.114 1.059 1.00 1.00 C ATOM 0 H LEU A 70 45.726 -12.209 1.459 1.00 1.00 H new ATOM 0 HA LEU A 70 43.146 -12.827 2.427 1.00 1.00 H new ATOM 0 HB2 LEU A 70 45.891 -14.088 2.886 1.00 1.00 H new ATOM 0 HB3 LEU A 70 44.393 -14.819 3.428 1.00 1.00 H new ATOM 0 HG LEU A 70 44.893 -14.011 0.527 1.00 1.00 H new ATOM 0 HD11 LEU A 70 45.319 -16.437 0.131 1.00 1.00 H new ATOM 0 HD12 LEU A 70 46.519 -15.751 1.253 1.00 1.00 H new ATOM 0 HD13 LEU A 70 45.179 -16.741 1.879 1.00 1.00 H new ATOM 0 HD21 LEU A 70 42.992 -15.532 0.061 1.00 1.00 H new ATOM 0 HD22 LEU A 70 42.818 -15.849 1.804 1.00 1.00 H new ATOM 0 HD23 LEU A 70 42.512 -14.218 1.161 1.00 1.00 H new ATOM 948 N VAL A 71 45.349 -11.815 4.677 1.00 1.00 N ATOM 949 CA VAL A 71 45.482 -11.337 6.062 1.00 1.00 C ATOM 950 C VAL A 71 45.220 -9.832 6.157 1.00 1.00 C ATOM 951 O VAL A 71 44.955 -9.310 7.241 1.00 1.00 O ATOM 952 CB VAL A 71 46.881 -11.683 6.618 1.00 1.00 C ATOM 953 CG1 VAL A 71 47.957 -10.733 6.068 1.00 1.00 C ATOM 954 CG2 VAL A 71 46.855 -11.578 8.146 1.00 1.00 C ATOM 0 H VAL A 71 46.199 -11.741 4.119 1.00 1.00 H new ATOM 0 HA VAL A 71 44.731 -11.844 6.668 1.00 1.00 H new ATOM 0 HB VAL A 71 47.129 -12.698 6.306 1.00 1.00 H new ATOM 0 HG11 VAL A 71 48.928 -11.006 6.480 1.00 1.00 H new ATOM 0 HG12 VAL A 71 47.989 -10.810 4.981 1.00 1.00 H new ATOM 0 HG13 VAL A 71 47.717 -9.708 6.352 1.00 1.00 H new ATOM 0 HG21 VAL A 71 47.840 -11.821 8.544 1.00 1.00 H new ATOM 0 HG22 VAL A 71 46.587 -10.562 8.436 1.00 1.00 H new ATOM 0 HG23 VAL A 71 46.119 -12.276 8.546 1.00 1.00 H new ATOM 964 N ASP A 72 45.280 -9.138 5.024 1.00 1.00 N ATOM 965 CA ASP A 72 45.035 -7.700 5.002 1.00 1.00 C ATOM 966 C ASP A 72 45.788 -6.990 6.130 1.00 1.00 C ATOM 967 O ASP A 72 45.192 -6.253 6.916 1.00 1.00 O ATOM 968 CB ASP A 72 43.533 -7.435 5.132 1.00 1.00 C ATOM 969 CG ASP A 72 42.820 -7.786 3.829 1.00 1.00 C ATOM 970 OD1 ASP A 72 43.488 -7.860 2.811 1.00 1.00 O ATOM 971 OD2 ASP A 72 41.614 -7.968 3.868 1.00 1.00 O ATOM 0 H ASP A 72 45.495 -9.546 4.114 1.00 1.00 H new ATOM 0 HA ASP A 72 45.399 -7.305 4.054 1.00 1.00 H new ATOM 0 HB2 ASP A 72 43.122 -8.026 5.950 1.00 1.00 H new ATOM 0 HB3 ASP A 72 43.361 -6.387 5.378 1.00 1.00 H new ATOM 976 N ASP A 73 47.103 -7.212 6.200 1.00 1.00 N ATOM 977 CA ASP A 73 47.940 -6.585 7.230 1.00 1.00 C ATOM 978 C ASP A 73 48.723 -5.412 6.645 1.00 1.00 C ATOM 979 O ASP A 73 49.749 -5.006 7.191 1.00 1.00 O ATOM 980 CB ASP A 73 48.920 -7.609 7.814 1.00 1.00 C ATOM 981 CG ASP A 73 48.173 -8.592 8.708 1.00 1.00 C ATOM 982 OD1 ASP A 73 47.024 -8.325 9.021 1.00 1.00 O ATOM 983 OD2 ASP A 73 48.760 -9.598 9.069 1.00 1.00 O ATOM 0 H ASP A 73 47.612 -7.820 5.558 1.00 1.00 H new ATOM 0 HA ASP A 73 47.286 -6.218 8.021 1.00 1.00 H new ATOM 0 HB2 ASP A 73 49.422 -8.146 7.009 1.00 1.00 H new ATOM 0 HB3 ASP A 73 49.694 -7.099 8.387 1.00 1.00 H new ATOM 988 N LEU A 74 48.237 -4.881 5.528 1.00 1.00 N ATOM 989 CA LEU A 74 48.903 -3.760 4.873 1.00 1.00 C ATOM 990 C LEU A 74 48.916 -2.524 5.773 1.00 1.00 C ATOM 991 O LEU A 74 49.855 -1.730 5.730 1.00 1.00 O ATOM 992 CB LEU A 74 48.223 -3.460 3.515 1.00 1.00 C ATOM 993 CG LEU A 74 46.936 -2.609 3.696 1.00 1.00 C ATOM 994 CD1 LEU A 74 47.240 -1.114 3.482 1.00 1.00 C ATOM 995 CD2 LEU A 74 45.868 -3.047 2.678 1.00 1.00 C ATOM 0 H LEU A 74 47.391 -5.205 5.060 1.00 1.00 H new ATOM 0 HA LEU A 74 49.941 -4.034 4.685 1.00 1.00 H new ATOM 0 HB2 LEU A 74 48.921 -2.931 2.867 1.00 1.00 H new ATOM 0 HB3 LEU A 74 47.973 -4.397 3.017 1.00 1.00 H new ATOM 0 HG LEU A 74 46.569 -2.762 4.711 1.00 1.00 H new ATOM 0 HD11 LEU A 74 46.326 -0.534 3.613 1.00 1.00 H new ATOM 0 HD12 LEU A 74 47.984 -0.787 4.208 1.00 1.00 H new ATOM 0 HD13 LEU A 74 47.625 -0.962 2.474 1.00 1.00 H new ATOM 0 HD21 LEU A 74 44.969 -2.445 2.812 1.00 1.00 H new ATOM 0 HD22 LEU A 74 46.250 -2.908 1.667 1.00 1.00 H new ATOM 0 HD23 LEU A 74 45.627 -4.099 2.833 1.00 1.00 H new ATOM 1007 N VAL A 75 47.873 -2.364 6.582 1.00 1.00 N ATOM 1008 CA VAL A 75 47.789 -1.221 7.483 1.00 1.00 C ATOM 1009 C VAL A 75 48.794 -1.356 8.619 1.00 1.00 C ATOM 1010 O VAL A 75 49.460 -0.392 8.997 1.00 1.00 O ATOM 1011 CB VAL A 75 46.366 -1.095 8.040 1.00 1.00 C ATOM 1012 CG1 VAL A 75 46.321 0.007 9.101 1.00 1.00 C ATOM 1013 CG2 VAL A 75 45.401 -0.745 6.903 1.00 1.00 C ATOM 0 H VAL A 75 47.081 -3.005 6.632 1.00 1.00 H new ATOM 0 HA VAL A 75 48.029 -0.318 6.922 1.00 1.00 H new ATOM 0 HB VAL A 75 46.072 -2.043 8.491 1.00 1.00 H new ATOM 0 HG11 VAL A 75 45.308 0.093 9.494 1.00 1.00 H new ATOM 0 HG12 VAL A 75 47.005 -0.241 9.913 1.00 1.00 H new ATOM 0 HG13 VAL A 75 46.618 0.955 8.653 1.00 1.00 H new ATOM 0 HG21 VAL A 75 44.389 -0.655 7.299 1.00 1.00 H new ATOM 0 HG22 VAL A 75 45.699 0.201 6.451 1.00 1.00 H new ATOM 0 HG23 VAL A 75 45.427 -1.531 6.149 1.00 1.00 H new ATOM 1023 N ASP A 76 48.880 -2.559 9.175 1.00 1.00 N ATOM 1024 CA ASP A 76 49.785 -2.824 10.287 1.00 1.00 C ATOM 1025 C ASP A 76 51.197 -3.140 9.798 1.00 1.00 C ATOM 1026 O ASP A 76 52.108 -3.342 10.601 1.00 1.00 O ATOM 1027 CB ASP A 76 49.257 -4.002 11.102 1.00 1.00 C ATOM 1028 CG ASP A 76 47.961 -3.610 11.804 1.00 1.00 C ATOM 1029 OD1 ASP A 76 47.620 -2.440 11.765 1.00 1.00 O ATOM 1030 OD2 ASP A 76 47.328 -4.487 12.368 1.00 1.00 O ATOM 0 H ASP A 76 48.334 -3.366 8.874 1.00 1.00 H new ATOM 0 HA ASP A 76 49.832 -1.927 10.905 1.00 1.00 H new ATOM 0 HB2 ASP A 76 49.083 -4.857 10.449 1.00 1.00 H new ATOM 0 HB3 ASP A 76 50.001 -4.309 11.838 1.00 1.00 H new ATOM 1035 N SER A 77 51.373 -3.190 8.484 1.00 1.00 N ATOM 1036 CA SER A 77 52.680 -3.492 7.911 1.00 1.00 C ATOM 1037 C SER A 77 53.751 -2.593 8.517 1.00 1.00 C ATOM 1038 O SER A 77 54.896 -3.005 8.697 1.00 1.00 O ATOM 1039 CB SER A 77 52.642 -3.274 6.402 1.00 1.00 C ATOM 1040 OG SER A 77 52.349 -1.910 6.132 1.00 1.00 O ATOM 0 H SER A 77 50.635 -3.027 7.799 1.00 1.00 H new ATOM 0 HA SER A 77 52.921 -4.532 8.131 1.00 1.00 H new ATOM 0 HB2 SER A 77 53.600 -3.547 5.959 1.00 1.00 H new ATOM 0 HB3 SER A 77 51.887 -3.917 5.949 1.00 1.00 H new ATOM 0 HG SER A 77 51.399 -1.740 6.300 1.00 1.00 H new ATOM 1046 N LEU A 78 53.364 -1.358 8.828 1.00 1.00 N ATOM 1047 CA LEU A 78 54.282 -0.379 9.416 1.00 1.00 C ATOM 1048 C LEU A 78 53.802 0.033 10.803 1.00 1.00 C ATOM 1049 O LEU A 78 54.123 1.119 11.284 1.00 1.00 O ATOM 1050 CB LEU A 78 54.388 0.860 8.515 1.00 1.00 C ATOM 1051 CG LEU A 78 52.984 1.373 8.082 1.00 1.00 C ATOM 1052 CD1 LEU A 78 52.524 2.508 9.005 1.00 1.00 C ATOM 1053 CD2 LEU A 78 53.052 1.902 6.639 1.00 1.00 C ATOM 0 H LEU A 78 52.417 -1.008 8.683 1.00 1.00 H new ATOM 0 HA LEU A 78 55.266 -0.840 9.504 1.00 1.00 H new ATOM 0 HB2 LEU A 78 54.918 1.652 9.044 1.00 1.00 H new ATOM 0 HB3 LEU A 78 54.977 0.618 7.630 1.00 1.00 H new ATOM 0 HG LEU A 78 52.276 0.547 8.145 1.00 1.00 H new ATOM 0 HD11 LEU A 78 51.541 2.857 8.690 1.00 1.00 H new ATOM 0 HD12 LEU A 78 52.468 2.143 10.031 1.00 1.00 H new ATOM 0 HD13 LEU A 78 53.236 3.332 8.951 1.00 1.00 H new ATOM 0 HD21 LEU A 78 52.068 2.261 6.336 1.00 1.00 H new ATOM 0 HD22 LEU A 78 53.770 2.721 6.585 1.00 1.00 H new ATOM 0 HD23 LEU A 78 53.366 1.099 5.972 1.00 1.00 H new ATOM 1065 N LYS A 79 53.033 -0.846 11.435 1.00 1.00 N ATOM 1066 CA LYS A 79 52.497 -0.587 12.770 1.00 1.00 C ATOM 1067 C LYS A 79 52.247 -1.911 13.492 1.00 1.00 C ATOM 1068 O LYS A 79 52.717 -2.049 14.610 1.00 1.00 O ATOM 1069 CB LYS A 79 51.188 0.227 12.647 1.00 1.00 C ATOM 1070 CG LYS A 79 51.450 1.709 12.942 1.00 1.00 C ATOM 1071 CD LYS A 79 50.184 2.517 12.654 1.00 1.00 C ATOM 1072 CE LYS A 79 50.452 3.995 12.939 1.00 1.00 C ATOM 1073 NZ LYS A 79 49.238 4.792 12.606 1.00 1.00 N ATOM 1074 OXT LYS A 79 51.589 -2.766 12.919 1.00 1.00 O ATOM 0 H LYS A 79 52.765 -1.749 11.044 1.00 1.00 H new ATOM 0 HA LYS A 79 53.216 -0.010 13.351 1.00 1.00 H new ATOM 0 HB2 LYS A 79 50.777 0.117 11.644 1.00 1.00 H new ATOM 0 HB3 LYS A 79 50.444 -0.162 13.341 1.00 1.00 H new ATOM 0 HG2 LYS A 79 51.747 1.837 13.983 1.00 1.00 H new ATOM 0 HG3 LYS A 79 52.274 2.073 12.328 1.00 1.00 H new ATOM 0 HD2 LYS A 79 49.882 2.384 11.615 1.00 1.00 H new ATOM 0 HD3 LYS A 79 49.361 2.159 13.273 1.00 1.00 H new ATOM 0 HE2 LYS A 79 50.714 4.133 13.988 1.00 1.00 H new ATOM 0 HE3 LYS A 79 51.301 4.342 12.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 49.419 5.798 12.799 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 49.007 4.669 11.599 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 48.439 4.466 13.186 1.00 1.00 H new