USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 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 Set 1.1: A 25 LYS NZ :NH3+ -120:sc= 0.031 (180deg=0) USER MOD Set 1.2: A 35 TYR OH : rot 30:sc= 0.0323 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 17 LYS NZ :NH3+ 170:sc= -0.527 (180deg=-0.795) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -2.62 X(o=-2.6,f=-2.7) USER MOD Single : A 24 GLN : amide:sc= -0.47 K(o=-0.47,f=-1) USER MOD Single : A 26 SER OG : rot 55:sc= 0.904 USER MOD Single : A 30 HIS : no HD1:sc= -2.55! C(o=-2.5!,f=-2.1!) USER MOD Single : A 38 SER OG : rot -49:sc= 0.315 USER MOD Single : A 43 SER OG : rot -98:sc= 0.804 USER MOD Single : A 48 GLN : amide:sc= -0.465 K(o=-0.47,f=-2) USER MOD Single : A 49 LYS NZ :NH3+ 140:sc= -5.87! (180deg=-7.23!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.42 X(o=-1.4,f=-1) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -6.68! C(o=-6.7!,f=-12!) USER MOD Single : A 59 ASN : amide:sc= -0.0525 K(o=-0.053,f=-2!) USER MOD Single : A 60 SER OG : rot 118:sc= 1.06 USER MOD Single : A 61 THR OG1 : rot 83:sc= 0.691 USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00239) USER MOD Single : A 77 SER OG : rot -97:sc= -0.342 USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= -0.0666 (180deg=-0.516) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 13 61.763 3.583 13.842 1.00 1.00 N ATOM 2 CA MET A 13 60.676 4.522 13.447 1.00 1.00 C ATOM 3 C MET A 13 60.919 5.005 12.021 1.00 1.00 C ATOM 4 O MET A 13 60.028 4.943 11.177 1.00 1.00 O ATOM 5 CB MET A 13 60.662 5.715 14.406 1.00 1.00 C ATOM 6 CG MET A 13 59.473 6.619 14.080 1.00 1.00 C ATOM 7 SD MET A 13 59.458 8.032 15.213 1.00 1.00 S ATOM 8 CE MET A 13 60.513 9.125 14.229 1.00 1.00 C ATOM 0 HA MET A 13 59.714 4.013 13.494 1.00 1.00 H new ATOM 0 HB2 MET A 13 60.595 5.366 15.436 1.00 1.00 H new ATOM 0 HB3 MET A 13 61.593 6.275 14.319 1.00 1.00 H new ATOM 0 HG2 MET A 13 59.539 6.967 13.049 1.00 1.00 H new ATOM 0 HG3 MET A 13 58.542 6.059 14.168 1.00 1.00 H new ATOM 0 HE1 MET A 13 60.640 10.074 14.750 1.00 1.00 H new ATOM 0 HE2 MET A 13 61.487 8.657 14.084 1.00 1.00 H new ATOM 0 HE3 MET A 13 60.048 9.303 13.259 1.00 1.00 H new ATOM 18 N ARG A 14 62.132 5.477 11.756 1.00 1.00 N ATOM 19 CA ARG A 14 62.494 5.968 10.447 1.00 1.00 C ATOM 20 C ARG A 14 61.954 5.061 9.343 1.00 1.00 C ATOM 21 O ARG A 14 61.718 5.505 8.220 1.00 1.00 O ATOM 22 CB ARG A 14 64.008 6.045 10.367 1.00 1.00 C ATOM 23 CG ARG A 14 64.394 6.892 9.171 1.00 1.00 C ATOM 24 CD ARG A 14 65.906 7.018 9.119 1.00 1.00 C ATOM 25 NE ARG A 14 66.383 7.852 10.217 1.00 1.00 N ATOM 26 CZ ARG A 14 67.682 8.069 10.400 1.00 1.00 C ATOM 27 NH1 ARG A 14 68.554 7.529 9.593 1.00 1.00 N ATOM 28 NH2 ARG A 14 68.083 8.823 11.385 1.00 1.00 N ATOM 0 H ARG A 14 62.883 5.527 12.444 1.00 1.00 H new ATOM 0 HA ARG A 14 62.055 6.955 10.301 1.00 1.00 H new ATOM 0 HB2 ARG A 14 64.412 6.478 11.282 1.00 1.00 H new ATOM 0 HB3 ARG A 14 64.432 5.045 10.273 1.00 1.00 H new ATOM 0 HG2 ARG A 14 64.023 6.437 8.253 1.00 1.00 H new ATOM 0 HG3 ARG A 14 63.937 7.879 9.246 1.00 1.00 H new ATOM 0 HD2 ARG A 14 66.362 6.030 9.179 1.00 1.00 H new ATOM 0 HD3 ARG A 14 66.209 7.452 8.166 1.00 1.00 H new ATOM 0 HE ARG A 14 65.709 8.276 10.855 1.00 1.00 H new ATOM 0 HH11 ARG A 14 68.239 6.940 8.822 1.00 1.00 H new ATOM 0 HH12 ARG A 14 69.550 7.696 9.733 1.00 1.00 H new ATOM 0 HH21 ARG A 14 67.401 9.246 12.014 1.00 1.00 H new ATOM 0 HH22 ARG A 14 69.079 8.990 11.526 1.00 1.00 H new ATOM 42 N ILE A 15 61.761 3.788 9.668 1.00 1.00 N ATOM 43 CA ILE A 15 61.249 2.820 8.697 1.00 1.00 C ATOM 44 C ILE A 15 60.073 3.434 7.932 1.00 1.00 C ATOM 45 O ILE A 15 60.033 3.418 6.705 1.00 1.00 O ATOM 46 CB ILE A 15 60.804 1.506 9.420 1.00 1.00 C ATOM 47 CG1 ILE A 15 61.009 1.651 10.942 1.00 1.00 C ATOM 48 CG2 ILE A 15 61.645 0.318 8.917 1.00 1.00 C ATOM 49 CD1 ILE A 15 60.403 0.445 11.663 1.00 1.00 C ATOM 0 H ILE A 15 61.950 3.400 10.592 1.00 1.00 H new ATOM 0 HA ILE A 15 62.041 2.569 7.991 1.00 1.00 H new ATOM 0 HB ILE A 15 59.751 1.328 9.204 1.00 1.00 H new ATOM 0 HG12 ILE A 15 62.072 1.726 11.170 1.00 1.00 H new ATOM 0 HG13 ILE A 15 60.542 2.570 11.295 1.00 1.00 H new ATOM 0 HG21 ILE A 15 61.329 -0.593 9.425 1.00 1.00 H new ATOM 0 HG22 ILE A 15 61.504 0.201 7.842 1.00 1.00 H new ATOM 0 HG23 ILE A 15 62.698 0.503 9.127 1.00 1.00 H new ATOM 0 HD11 ILE A 15 60.550 0.552 12.738 1.00 1.00 H new ATOM 0 HD12 ILE A 15 59.336 0.390 11.447 1.00 1.00 H new ATOM 0 HD13 ILE A 15 60.890 -0.467 11.319 1.00 1.00 H new ATOM 61 N TYR A 16 59.134 3.993 8.677 1.00 1.00 N ATOM 62 CA TYR A 16 57.969 4.633 8.084 1.00 1.00 C ATOM 63 C TYR A 16 58.444 5.768 7.183 1.00 1.00 C ATOM 64 O TYR A 16 57.921 5.972 6.088 1.00 1.00 O ATOM 65 CB TYR A 16 57.025 5.125 9.229 1.00 1.00 C ATOM 66 CG TYR A 16 56.997 6.653 9.341 1.00 1.00 C ATOM 67 CD1 TYR A 16 58.019 7.329 10.038 1.00 1.00 C ATOM 68 CD2 TYR A 16 55.954 7.397 8.753 1.00 1.00 C ATOM 69 CE1 TYR A 16 58.000 8.717 10.141 1.00 1.00 C ATOM 70 CE2 TYR A 16 55.944 8.794 8.862 1.00 1.00 C ATOM 71 CZ TYR A 16 56.967 9.453 9.553 1.00 1.00 C ATOM 72 OH TYR A 16 56.954 10.829 9.655 1.00 1.00 O ATOM 0 H TYR A 16 59.155 4.017 9.697 1.00 1.00 H new ATOM 0 HA TYR A 16 57.399 3.938 7.468 1.00 1.00 H new ATOM 0 HB2 TYR A 16 56.015 4.757 9.048 1.00 1.00 H new ATOM 0 HB3 TYR A 16 57.354 4.699 10.177 1.00 1.00 H new ATOM 0 HD1 TYR A 16 58.821 6.767 10.494 1.00 1.00 H new ATOM 0 HD2 TYR A 16 55.163 6.891 8.219 1.00 1.00 H new ATOM 0 HE1 TYR A 16 58.786 9.227 10.677 1.00 1.00 H new ATOM 0 HE2 TYR A 16 55.145 9.364 8.412 1.00 1.00 H new ATOM 0 HH TYR A 16 56.168 11.184 9.190 1.00 1.00 H new ATOM 82 N LYS A 17 59.456 6.480 7.650 1.00 1.00 N ATOM 83 CA LYS A 17 60.028 7.569 6.877 1.00 1.00 C ATOM 84 C LYS A 17 60.676 7.008 5.616 1.00 1.00 C ATOM 85 O LYS A 17 60.637 7.627 4.559 1.00 1.00 O ATOM 86 CB LYS A 17 61.069 8.328 7.716 1.00 1.00 C ATOM 87 CG LYS A 17 61.313 9.718 7.113 1.00 1.00 C ATOM 88 CD LYS A 17 62.258 10.541 8.021 1.00 1.00 C ATOM 89 CE LYS A 17 61.448 11.496 8.908 1.00 1.00 C ATOM 90 NZ LYS A 17 60.493 10.706 9.737 1.00 1.00 N ATOM 0 H LYS A 17 59.897 6.324 8.557 1.00 1.00 H new ATOM 0 HA LYS A 17 59.237 8.265 6.597 1.00 1.00 H new ATOM 0 HB2 LYS A 17 60.720 8.424 8.744 1.00 1.00 H new ATOM 0 HB3 LYS A 17 62.003 7.767 7.747 1.00 1.00 H new ATOM 0 HG2 LYS A 17 61.749 9.619 6.119 1.00 1.00 H new ATOM 0 HG3 LYS A 17 60.364 10.242 6.995 1.00 1.00 H new ATOM 0 HD2 LYS A 17 62.850 9.870 8.643 1.00 1.00 H new ATOM 0 HD3 LYS A 17 62.958 11.109 7.408 1.00 1.00 H new ATOM 0 HE2 LYS A 17 62.116 12.070 9.550 1.00 1.00 H new ATOM 0 HE3 LYS A 17 60.906 12.212 8.291 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 60.064 11.323 10.456 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 59.747 10.314 9.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 61.001 9.929 10.206 1.00 1.00 H new ATOM 104 N GLY A 18 61.269 5.825 5.737 1.00 1.00 N ATOM 105 CA GLY A 18 61.918 5.181 4.605 1.00 1.00 C ATOM 106 C GLY A 18 60.900 4.687 3.589 1.00 1.00 C ATOM 107 O GLY A 18 61.188 4.606 2.395 1.00 1.00 O ATOM 0 H GLY A 18 61.313 5.295 6.607 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.600 5.884 4.127 1.00 1.00 H new ATOM 0 HA3 GLY A 18 62.519 4.343 4.957 1.00 1.00 H new ATOM 111 N VAL A 19 59.715 4.325 4.073 1.00 1.00 N ATOM 112 CA VAL A 19 58.679 3.806 3.197 1.00 1.00 C ATOM 113 C VAL A 19 58.270 4.880 2.199 1.00 1.00 C ATOM 114 O VAL A 19 57.729 4.587 1.132 1.00 1.00 O ATOM 115 CB VAL A 19 57.464 3.345 4.030 1.00 1.00 C ATOM 116 CG1 VAL A 19 56.210 3.213 3.136 1.00 1.00 C ATOM 117 CG2 VAL A 19 57.761 1.975 4.656 1.00 1.00 C ATOM 0 H VAL A 19 59.454 4.382 5.057 1.00 1.00 H new ATOM 0 HA VAL A 19 59.064 2.946 2.649 1.00 1.00 H new ATOM 0 HB VAL A 19 57.279 4.087 4.806 1.00 1.00 H new ATOM 0 HG11 VAL A 19 55.364 2.887 3.741 1.00 1.00 H new ATOM 0 HG12 VAL A 19 55.982 4.178 2.684 1.00 1.00 H new ATOM 0 HG13 VAL A 19 56.398 2.480 2.351 1.00 1.00 H new ATOM 0 HG21 VAL A 19 56.903 1.650 5.244 1.00 1.00 H new ATOM 0 HG22 VAL A 19 57.956 1.249 3.867 1.00 1.00 H new ATOM 0 HG23 VAL A 19 58.635 2.052 5.302 1.00 1.00 H new ATOM 127 N ILE A 20 58.556 6.120 2.553 1.00 1.00 N ATOM 128 CA ILE A 20 58.242 7.248 1.686 1.00 1.00 C ATOM 129 C ILE A 20 58.888 6.992 0.338 1.00 1.00 C ATOM 130 O ILE A 20 58.423 7.476 -0.688 1.00 1.00 O ATOM 131 CB ILE A 20 58.832 8.548 2.312 1.00 1.00 C ATOM 132 CG1 ILE A 20 58.112 8.904 3.652 1.00 1.00 C ATOM 133 CG2 ILE A 20 58.729 9.745 1.341 1.00 1.00 C ATOM 134 CD1 ILE A 20 58.798 10.082 4.390 1.00 1.00 C ATOM 0 H ILE A 20 59.005 6.374 3.433 1.00 1.00 H new ATOM 0 HA ILE A 20 57.164 7.363 1.572 1.00 1.00 H new ATOM 0 HB ILE A 20 59.885 8.352 2.512 1.00 1.00 H new ATOM 0 HG12 ILE A 20 57.073 9.162 3.447 1.00 1.00 H new ATOM 0 HG13 ILE A 20 58.101 8.028 4.301 1.00 1.00 H new ATOM 0 HG21 ILE A 20 59.150 10.633 1.812 1.00 1.00 H new ATOM 0 HG22 ILE A 20 59.282 9.522 0.428 1.00 1.00 H new ATOM 0 HG23 ILE A 20 57.682 9.926 1.096 1.00 1.00 H new ATOM 0 HD11 ILE A 20 58.262 10.293 5.315 1.00 1.00 H new ATOM 0 HD12 ILE A 20 59.830 9.816 4.620 1.00 1.00 H new ATOM 0 HD13 ILE A 20 58.785 10.967 3.754 1.00 1.00 H new ATOM 146 N GLN A 21 59.948 6.204 0.351 1.00 1.00 N ATOM 147 CA GLN A 21 60.636 5.865 -0.878 1.00 1.00 C ATOM 148 C GLN A 21 59.614 5.327 -1.872 1.00 1.00 C ATOM 149 O GLN A 21 59.687 5.603 -3.070 1.00 1.00 O ATOM 150 CB GLN A 21 61.729 4.821 -0.593 1.00 1.00 C ATOM 151 CG GLN A 21 62.160 4.122 -1.887 1.00 1.00 C ATOM 152 CD GLN A 21 62.373 5.148 -2.997 1.00 1.00 C ATOM 153 OE1 GLN A 21 61.919 4.950 -4.125 1.00 1.00 O ATOM 154 NE2 GLN A 21 63.034 6.243 -2.738 1.00 1.00 N ATOM 0 H GLN A 21 60.348 5.790 1.193 1.00 1.00 H new ATOM 0 HA GLN A 21 61.117 6.747 -1.300 1.00 1.00 H new ATOM 0 HB2 GLN A 21 62.590 5.305 -0.131 1.00 1.00 H new ATOM 0 HB3 GLN A 21 61.358 4.083 0.119 1.00 1.00 H new ATOM 0 HG2 GLN A 21 63.080 3.563 -1.717 1.00 1.00 H new ATOM 0 HG3 GLN A 21 61.400 3.401 -2.189 1.00 1.00 H new ATOM 0 HE21 GLN A 21 63.408 6.404 -1.803 1.00 1.00 H new ATOM 0 HE22 GLN A 21 63.176 6.938 -3.471 1.00 1.00 H new ATOM 163 N ALA A 22 58.656 4.568 -1.355 1.00 1.00 N ATOM 164 CA ALA A 22 57.607 4.007 -2.195 1.00 1.00 C ATOM 165 C ALA A 22 56.681 5.118 -2.688 1.00 1.00 C ATOM 166 O ALA A 22 56.328 5.171 -3.866 1.00 1.00 O ATOM 167 CB ALA A 22 56.794 2.970 -1.407 1.00 1.00 C ATOM 0 H ALA A 22 58.584 4.328 -0.366 1.00 1.00 H new ATOM 0 HA ALA A 22 58.071 3.519 -3.052 1.00 1.00 H new ATOM 0 HB1 ALA A 22 56.013 2.558 -2.046 1.00 1.00 H new ATOM 0 HB2 ALA A 22 57.452 2.167 -1.075 1.00 1.00 H new ATOM 0 HB3 ALA A 22 56.339 3.448 -0.539 1.00 1.00 H new ATOM 173 N ILE A 23 56.286 5.995 -1.766 1.00 1.00 N ATOM 174 CA ILE A 23 55.390 7.101 -2.094 1.00 1.00 C ATOM 175 C ILE A 23 56.054 8.111 -3.034 1.00 1.00 C ATOM 176 O ILE A 23 55.439 8.580 -3.993 1.00 1.00 O ATOM 177 CB ILE A 23 54.953 7.805 -0.804 1.00 1.00 C ATOM 178 CG1 ILE A 23 54.074 6.851 0.011 1.00 1.00 C ATOM 179 CG2 ILE A 23 54.155 9.070 -1.146 1.00 1.00 C ATOM 180 CD1 ILE A 23 53.819 7.440 1.400 1.00 1.00 C ATOM 0 H ILE A 23 56.572 5.961 -0.788 1.00 1.00 H new ATOM 0 HA ILE A 23 54.522 6.689 -2.609 1.00 1.00 H new ATOM 0 HB ILE A 23 55.833 8.085 -0.225 1.00 1.00 H new ATOM 0 HG12 ILE A 23 53.127 6.685 -0.503 1.00 1.00 H new ATOM 0 HG13 ILE A 23 54.562 5.880 0.101 1.00 1.00 H new ATOM 0 HG21 ILE A 23 53.847 9.566 -0.225 1.00 1.00 H new ATOM 0 HG22 ILE A 23 54.778 9.746 -1.732 1.00 1.00 H new ATOM 0 HG23 ILE A 23 53.272 8.798 -1.724 1.00 1.00 H new ATOM 0 HD11 ILE A 23 53.193 6.758 1.975 1.00 1.00 H new ATOM 0 HD12 ILE A 23 54.769 7.583 1.915 1.00 1.00 H new ATOM 0 HD13 ILE A 23 53.313 8.400 1.301 1.00 1.00 H new ATOM 192 N GLN A 24 57.301 8.458 -2.735 1.00 1.00 N ATOM 193 CA GLN A 24 58.037 9.430 -3.539 1.00 1.00 C ATOM 194 C GLN A 24 58.337 8.886 -4.930 1.00 1.00 C ATOM 195 O GLN A 24 58.382 9.641 -5.901 1.00 1.00 O ATOM 196 CB GLN A 24 59.346 9.808 -2.839 1.00 1.00 C ATOM 197 CG GLN A 24 60.047 10.941 -3.599 1.00 1.00 C ATOM 198 CD GLN A 24 59.216 12.218 -3.521 1.00 1.00 C ATOM 199 OE1 GLN A 24 58.284 12.405 -4.304 1.00 1.00 O ATOM 200 NE2 GLN A 24 59.497 13.113 -2.613 1.00 1.00 N ATOM 0 H GLN A 24 57.824 8.082 -1.944 1.00 1.00 H new ATOM 0 HA GLN A 24 57.412 10.316 -3.647 1.00 1.00 H new ATOM 0 HB2 GLN A 24 59.142 10.120 -1.815 1.00 1.00 H new ATOM 0 HB3 GLN A 24 60.001 8.938 -2.783 1.00 1.00 H new ATOM 0 HG2 GLN A 24 61.036 11.115 -3.176 1.00 1.00 H new ATOM 0 HG3 GLN A 24 60.192 10.655 -4.641 1.00 1.00 H new ATOM 0 HE21 GLN A 24 60.269 12.957 -1.965 1.00 1.00 H new ATOM 0 HE22 GLN A 24 58.944 13.968 -2.552 1.00 1.00 H new ATOM 209 N LYS A 25 58.571 7.581 -5.023 1.00 1.00 N ATOM 210 CA LYS A 25 58.899 6.974 -6.315 1.00 1.00 C ATOM 211 C LYS A 25 58.018 7.544 -7.434 1.00 1.00 C ATOM 212 O LYS A 25 58.531 8.000 -8.456 1.00 1.00 O ATOM 213 CB LYS A 25 58.722 5.455 -6.236 1.00 1.00 C ATOM 214 CG LYS A 25 59.194 4.810 -7.547 1.00 1.00 C ATOM 215 CD LYS A 25 59.006 3.287 -7.484 1.00 1.00 C ATOM 216 CE LYS A 25 60.101 2.645 -6.625 1.00 1.00 C ATOM 217 NZ LYS A 25 60.085 1.168 -6.827 1.00 1.00 N ATOM 0 H LYS A 25 58.542 6.931 -4.237 1.00 1.00 H new ATOM 0 HA LYS A 25 59.938 7.208 -6.547 1.00 1.00 H new ATOM 0 HB2 LYS A 25 59.292 5.056 -5.397 1.00 1.00 H new ATOM 0 HB3 LYS A 25 57.675 5.210 -6.055 1.00 1.00 H new ATOM 0 HG2 LYS A 25 58.631 5.219 -8.386 1.00 1.00 H new ATOM 0 HG3 LYS A 25 60.243 5.048 -7.721 1.00 1.00 H new ATOM 0 HD2 LYS A 25 58.026 3.053 -7.069 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.034 2.869 -8.490 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.076 3.050 -6.896 1.00 1.00 H new ATOM 0 HE3 LYS A 25 59.939 2.881 -5.573 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 59.903 0.695 -5.919 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 59.335 0.918 -7.503 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 61.005 0.859 -7.200 1.00 1.00 H new ATOM 231 N SER A 26 56.698 7.521 -7.234 1.00 1.00 N ATOM 232 CA SER A 26 55.756 8.042 -8.227 1.00 1.00 C ATOM 233 C SER A 26 54.372 7.451 -7.995 1.00 1.00 C ATOM 234 O SER A 26 53.477 8.101 -7.457 1.00 1.00 O ATOM 235 CB SER A 26 56.239 7.710 -9.652 1.00 1.00 C ATOM 236 OG SER A 26 57.052 8.774 -10.130 1.00 1.00 O ATOM 0 H SER A 26 56.258 7.147 -6.393 1.00 1.00 H new ATOM 0 HA SER A 26 55.702 9.125 -8.120 1.00 1.00 H new ATOM 0 HB2 SER A 26 56.804 6.778 -9.649 1.00 1.00 H new ATOM 0 HB3 SER A 26 55.385 7.563 -10.313 1.00 1.00 H new ATOM 0 HG SER A 26 57.783 8.937 -9.498 1.00 1.00 H new ATOM 242 N ASP A 27 54.229 6.207 -8.405 1.00 1.00 N ATOM 243 CA ASP A 27 52.977 5.473 -8.261 1.00 1.00 C ATOM 244 C ASP A 27 53.273 3.977 -8.196 1.00 1.00 C ATOM 245 O ASP A 27 52.521 3.157 -8.723 1.00 1.00 O ATOM 246 CB ASP A 27 52.051 5.780 -9.444 1.00 1.00 C ATOM 247 CG ASP A 27 52.678 5.298 -10.750 1.00 1.00 C ATOM 248 OD1 ASP A 27 53.682 4.606 -10.688 1.00 1.00 O ATOM 249 OD2 ASP A 27 52.147 5.633 -11.796 1.00 1.00 O ATOM 0 H ASP A 27 54.975 5.671 -8.849 1.00 1.00 H new ATOM 0 HA ASP A 27 52.479 5.780 -7.342 1.00 1.00 H new ATOM 0 HB2 ASP A 27 51.087 5.294 -9.295 1.00 1.00 H new ATOM 0 HB3 ASP A 27 51.862 6.852 -9.498 1.00 1.00 H new ATOM 254 N GLU A 28 54.386 3.638 -7.549 1.00 1.00 N ATOM 255 CA GLU A 28 54.793 2.246 -7.413 1.00 1.00 C ATOM 256 C GLU A 28 54.949 1.583 -8.779 1.00 1.00 C ATOM 257 O GLU A 28 55.242 0.390 -8.870 1.00 1.00 O ATOM 258 CB GLU A 28 53.779 1.490 -6.547 1.00 1.00 C ATOM 259 CG GLU A 28 53.824 2.017 -5.107 1.00 1.00 C ATOM 260 CD GLU A 28 53.089 3.351 -4.998 1.00 1.00 C ATOM 261 OE1 GLU A 28 52.239 3.612 -5.833 1.00 1.00 O ATOM 262 OE2 GLU A 28 53.385 4.092 -4.077 1.00 1.00 O ATOM 0 H GLU A 28 55.019 4.308 -7.113 1.00 1.00 H new ATOM 0 HA GLU A 28 55.766 2.213 -6.922 1.00 1.00 H new ATOM 0 HB2 GLU A 28 52.776 1.612 -6.956 1.00 1.00 H new ATOM 0 HB3 GLU A 28 54.001 0.423 -6.560 1.00 1.00 H new ATOM 0 HG2 GLU A 28 53.370 1.290 -4.434 1.00 1.00 H new ATOM 0 HG3 GLU A 28 54.860 2.140 -4.792 1.00 1.00 H new ATOM 269 N GLY A 29 54.769 2.363 -9.843 1.00 1.00 N ATOM 270 CA GLY A 29 54.897 1.845 -11.206 1.00 1.00 C ATOM 271 C GLY A 29 53.523 1.498 -11.787 1.00 1.00 C ATOM 272 O GLY A 29 53.349 1.431 -13.004 1.00 1.00 O ATOM 0 H GLY A 29 54.535 3.354 -9.789 1.00 1.00 H new ATOM 0 HA2 GLY A 29 55.387 2.586 -11.837 1.00 1.00 H new ATOM 0 HA3 GLY A 29 55.531 0.958 -11.205 1.00 1.00 H new ATOM 276 N HIS A 30 52.554 1.294 -10.897 1.00 1.00 N ATOM 277 CA HIS A 30 51.189 0.959 -11.289 1.00 1.00 C ATOM 278 C HIS A 30 50.409 0.384 -10.086 1.00 1.00 C ATOM 279 O HIS A 30 49.214 0.651 -9.955 1.00 1.00 O ATOM 280 CB HIS A 30 51.166 -0.030 -12.494 1.00 1.00 C ATOM 281 CG HIS A 30 50.900 0.714 -13.780 1.00 1.00 C ATOM 282 ND1 HIS A 30 49.766 1.490 -13.964 1.00 1.00 N ATOM 283 CD2 HIS A 30 51.613 0.811 -14.949 1.00 1.00 C ATOM 284 CE1 HIS A 30 49.828 2.013 -15.202 1.00 1.00 C ATOM 285 NE2 HIS A 30 50.933 1.632 -15.845 1.00 1.00 N ATOM 0 H HIS A 30 52.693 1.356 -9.888 1.00 1.00 H new ATOM 0 HA HIS A 30 50.698 1.877 -11.613 1.00 1.00 H new ATOM 0 HB2 HIS A 30 52.119 -0.555 -12.560 1.00 1.00 H new ATOM 0 HB3 HIS A 30 50.396 -0.786 -12.338 1.00 1.00 H new ATOM 0 HD2 HIS A 30 52.557 0.325 -15.144 1.00 1.00 H new ATOM 0 HE1 HIS A 30 49.075 2.662 -15.624 1.00 1.00 H new ATOM 0 HE2 HIS A 30 51.219 1.887 -16.790 1.00 1.00 H new ATOM 293 N PRO A 31 51.033 -0.375 -9.195 1.00 1.00 N ATOM 294 CA PRO A 31 50.333 -0.941 -8.004 1.00 1.00 C ATOM 295 C PRO A 31 50.168 0.103 -6.898 1.00 1.00 C ATOM 296 O PRO A 31 50.279 1.306 -7.138 1.00 1.00 O ATOM 297 CB PRO A 31 51.234 -2.120 -7.540 1.00 1.00 C ATOM 298 CG PRO A 31 52.374 -2.179 -8.519 1.00 1.00 C ATOM 299 CD PRO A 31 52.445 -0.791 -9.184 1.00 1.00 C ATOM 0 HA PRO A 31 49.321 -1.267 -8.245 1.00 1.00 H new ATOM 0 HB2 PRO A 31 51.598 -1.957 -6.526 1.00 1.00 H new ATOM 0 HB3 PRO A 31 50.677 -3.057 -7.532 1.00 1.00 H new ATOM 0 HG2 PRO A 31 53.310 -2.416 -8.012 1.00 1.00 H new ATOM 0 HG3 PRO A 31 52.208 -2.958 -9.263 1.00 1.00 H new ATOM 0 HD2 PRO A 31 53.068 -0.100 -8.616 1.00 1.00 H new ATOM 0 HD3 PRO A 31 52.861 -0.843 -10.190 1.00 1.00 H new ATOM 307 N PHE A 32 49.896 -0.364 -5.685 1.00 1.00 N ATOM 308 CA PHE A 32 49.715 0.539 -4.558 1.00 1.00 C ATOM 309 C PHE A 32 49.841 -0.216 -3.237 1.00 1.00 C ATOM 310 O PHE A 32 50.855 -0.116 -2.546 1.00 1.00 O ATOM 311 CB PHE A 32 48.337 1.192 -4.658 1.00 1.00 C ATOM 312 CG PHE A 32 48.112 2.108 -3.478 1.00 1.00 C ATOM 313 CD1 PHE A 32 48.914 3.243 -3.313 1.00 1.00 C ATOM 314 CD2 PHE A 32 47.096 1.829 -2.555 1.00 1.00 C ATOM 315 CE1 PHE A 32 48.702 4.099 -2.226 1.00 1.00 C ATOM 316 CE2 PHE A 32 46.882 2.684 -1.470 1.00 1.00 C ATOM 317 CZ PHE A 32 47.684 3.820 -1.304 1.00 1.00 C ATOM 0 H PHE A 32 49.797 -1.354 -5.459 1.00 1.00 H new ATOM 0 HA PHE A 32 50.489 1.305 -4.586 1.00 1.00 H new ATOM 0 HB2 PHE A 32 48.260 1.757 -5.587 1.00 1.00 H new ATOM 0 HB3 PHE A 32 47.563 0.425 -4.686 1.00 1.00 H new ATOM 0 HD1 PHE A 32 49.697 3.459 -4.025 1.00 1.00 H new ATOM 0 HD2 PHE A 32 46.478 0.953 -2.682 1.00 1.00 H new ATOM 0 HE1 PHE A 32 49.322 4.974 -2.098 1.00 1.00 H new ATOM 0 HE2 PHE A 32 46.098 2.468 -0.759 1.00 1.00 H new ATOM 0 HZ PHE A 32 47.518 4.481 -0.466 1.00 1.00 H new ATOM 327 N ARG A 33 48.805 -0.972 -2.896 1.00 1.00 N ATOM 328 CA ARG A 33 48.807 -1.744 -1.662 1.00 1.00 C ATOM 329 C ARG A 33 49.816 -2.883 -1.737 1.00 1.00 C ATOM 330 O ARG A 33 50.409 -3.261 -0.735 1.00 1.00 O ATOM 331 CB ARG A 33 47.405 -2.285 -1.352 1.00 1.00 C ATOM 332 CG ARG A 33 46.743 -2.816 -2.639 1.00 1.00 C ATOM 333 CD ARG A 33 45.391 -3.464 -2.294 1.00 1.00 C ATOM 334 NE ARG A 33 44.482 -2.462 -1.746 1.00 1.00 N ATOM 335 CZ ARG A 33 43.730 -1.700 -2.538 1.00 1.00 C ATOM 336 NH1 ARG A 33 43.788 -1.848 -3.834 1.00 1.00 N ATOM 337 NH2 ARG A 33 42.934 -0.806 -2.018 1.00 1.00 N ATOM 0 H ARG A 33 47.957 -1.066 -3.454 1.00 1.00 H new ATOM 0 HA ARG A 33 49.102 -1.079 -0.851 1.00 1.00 H new ATOM 0 HB2 ARG A 33 47.470 -3.083 -0.612 1.00 1.00 H new ATOM 0 HB3 ARG A 33 46.791 -1.496 -0.917 1.00 1.00 H new ATOM 0 HG2 ARG A 33 46.597 -2.001 -3.348 1.00 1.00 H new ATOM 0 HG3 ARG A 33 47.395 -3.545 -3.121 1.00 1.00 H new ATOM 0 HD2 ARG A 33 44.955 -3.913 -3.187 1.00 1.00 H new ATOM 0 HD3 ARG A 33 45.537 -4.268 -1.572 1.00 1.00 H new ATOM 0 HE ARG A 33 44.421 -2.343 -0.735 1.00 1.00 H new ATOM 0 HH11 ARG A 33 44.409 -2.547 -4.240 1.00 1.00 H new ATOM 0 HH12 ARG A 33 43.212 -1.264 -4.440 1.00 1.00 H new ATOM 0 HH21 ARG A 33 42.888 -0.691 -1.006 1.00 1.00 H new ATOM 0 HH22 ARG A 33 42.358 -0.222 -2.624 1.00 1.00 H new ATOM 351 N ALA A 34 50.003 -3.440 -2.922 1.00 1.00 N ATOM 352 CA ALA A 34 50.941 -4.549 -3.065 1.00 1.00 C ATOM 353 C ALA A 34 52.310 -4.161 -2.492 1.00 1.00 C ATOM 354 O ALA A 34 53.065 -5.018 -2.035 1.00 1.00 O ATOM 355 CB ALA A 34 51.072 -5.006 -4.536 1.00 1.00 C ATOM 0 H ALA A 34 49.533 -3.154 -3.781 1.00 1.00 H new ATOM 0 HA ALA A 34 50.547 -5.394 -2.500 1.00 1.00 H new ATOM 0 HB1 ALA A 34 51.779 -5.833 -4.598 1.00 1.00 H new ATOM 0 HB2 ALA A 34 50.099 -5.332 -4.904 1.00 1.00 H new ATOM 0 HB3 ALA A 34 51.430 -4.176 -5.144 1.00 1.00 H new ATOM 361 N TYR A 35 52.627 -2.870 -2.519 1.00 1.00 N ATOM 362 CA TYR A 35 53.913 -2.390 -1.994 1.00 1.00 C ATOM 363 C TYR A 35 54.027 -2.686 -0.488 1.00 1.00 C ATOM 364 O TYR A 35 55.120 -2.936 0.022 1.00 1.00 O ATOM 365 CB TYR A 35 54.070 -0.855 -2.240 1.00 1.00 C ATOM 366 CG TYR A 35 55.512 -0.516 -2.626 1.00 1.00 C ATOM 367 CD1 TYR A 35 56.493 -0.343 -1.627 1.00 1.00 C ATOM 368 CD2 TYR A 35 55.875 -0.370 -3.985 1.00 1.00 C ATOM 369 CE1 TYR A 35 57.811 -0.033 -1.984 1.00 1.00 C ATOM 370 CE2 TYR A 35 57.197 -0.059 -4.327 1.00 1.00 C ATOM 371 CZ TYR A 35 58.162 0.110 -3.330 1.00 1.00 C ATOM 372 OH TYR A 35 59.461 0.414 -3.676 1.00 1.00 O ATOM 0 H TYR A 35 52.022 -2.139 -2.894 1.00 1.00 H new ATOM 0 HA TYR A 35 54.709 -2.916 -2.521 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.392 -0.537 -3.032 1.00 1.00 H new ATOM 0 HB3 TYR A 35 53.790 -0.307 -1.341 1.00 1.00 H new ATOM 0 HD1 TYR A 35 56.227 -0.450 -0.586 1.00 1.00 H new ATOM 0 HD2 TYR A 35 55.133 -0.498 -4.759 1.00 1.00 H new ATOM 0 HE1 TYR A 35 58.560 0.096 -1.216 1.00 1.00 H new ATOM 0 HE2 TYR A 35 57.472 0.051 -5.366 1.00 1.00 H new ATOM 0 HH TYR A 35 60.073 0.044 -3.006 1.00 1.00 H new ATOM 382 N LEU A 36 52.899 -2.630 0.218 1.00 1.00 N ATOM 383 CA LEU A 36 52.879 -2.866 1.662 1.00 1.00 C ATOM 384 C LEU A 36 53.334 -4.281 2.008 1.00 1.00 C ATOM 385 O LEU A 36 53.994 -4.495 3.023 1.00 1.00 O ATOM 386 CB LEU A 36 51.464 -2.623 2.208 1.00 1.00 C ATOM 387 CG LEU A 36 51.251 -1.111 2.425 1.00 1.00 C ATOM 388 CD1 LEU A 36 51.643 -0.305 1.177 1.00 1.00 C ATOM 389 CD2 LEU A 36 49.784 -0.866 2.739 1.00 1.00 C ATOM 0 H LEU A 36 51.986 -2.423 -0.186 1.00 1.00 H new ATOM 0 HA LEU A 36 53.577 -2.169 2.126 1.00 1.00 H new ATOM 0 HB2 LEU A 36 50.722 -3.009 1.510 1.00 1.00 H new ATOM 0 HB3 LEU A 36 51.328 -3.159 3.147 1.00 1.00 H new ATOM 0 HG LEU A 36 51.884 -0.785 3.251 1.00 1.00 H new ATOM 0 HD11 LEU A 36 51.481 0.757 1.364 1.00 1.00 H new ATOM 0 HD12 LEU A 36 52.695 -0.477 0.949 1.00 1.00 H new ATOM 0 HD13 LEU A 36 51.032 -0.622 0.332 1.00 1.00 H new ATOM 0 HD21 LEU A 36 49.618 0.200 2.895 1.00 1.00 H new ATOM 0 HD22 LEU A 36 49.171 -1.210 1.906 1.00 1.00 H new ATOM 0 HD23 LEU A 36 49.509 -1.412 3.642 1.00 1.00 H new ATOM 401 N GLU A 37 52.956 -5.247 1.191 1.00 1.00 N ATOM 402 CA GLU A 37 53.310 -6.626 1.456 1.00 1.00 C ATOM 403 C GLU A 37 54.816 -6.784 1.702 1.00 1.00 C ATOM 404 O GLU A 37 55.229 -7.344 2.718 1.00 1.00 O ATOM 405 CB GLU A 37 52.870 -7.473 0.248 1.00 1.00 C ATOM 406 CG GLU A 37 53.649 -8.799 0.184 1.00 1.00 C ATOM 407 CD GLU A 37 54.983 -8.588 -0.526 1.00 1.00 C ATOM 408 OE1 GLU A 37 54.986 -7.923 -1.549 1.00 1.00 O ATOM 409 OE2 GLU A 37 55.980 -9.089 -0.033 1.00 1.00 O ATOM 0 H GLU A 37 52.407 -5.102 0.344 1.00 1.00 H new ATOM 0 HA GLU A 37 52.804 -6.961 2.361 1.00 1.00 H new ATOM 0 HB2 GLU A 37 51.802 -7.679 0.315 1.00 1.00 H new ATOM 0 HB3 GLU A 37 53.029 -6.910 -0.672 1.00 1.00 H new ATOM 0 HG2 GLU A 37 53.820 -9.179 1.191 1.00 1.00 H new ATOM 0 HG3 GLU A 37 53.062 -9.550 -0.344 1.00 1.00 H new ATOM 416 N SER A 38 55.623 -6.312 0.758 1.00 1.00 N ATOM 417 CA SER A 38 57.075 -6.432 0.871 1.00 1.00 C ATOM 418 C SER A 38 57.605 -5.643 2.061 1.00 1.00 C ATOM 419 O SER A 38 58.709 -5.895 2.530 1.00 1.00 O ATOM 420 CB SER A 38 57.747 -5.932 -0.409 1.00 1.00 C ATOM 421 OG SER A 38 57.661 -4.513 -0.450 1.00 1.00 O ATOM 0 H SER A 38 55.301 -5.845 -0.090 1.00 1.00 H new ATOM 0 HA SER A 38 57.310 -7.486 1.022 1.00 1.00 H new ATOM 0 HB2 SER A 38 58.790 -6.247 -0.435 1.00 1.00 H new ATOM 0 HB3 SER A 38 57.261 -6.365 -1.284 1.00 1.00 H new ATOM 0 HG SER A 38 56.739 -4.236 -0.268 1.00 1.00 H new ATOM 427 N GLU A 39 56.823 -4.687 2.547 1.00 1.00 N ATOM 428 CA GLU A 39 57.247 -3.878 3.679 1.00 1.00 C ATOM 429 C GLU A 39 57.028 -4.635 4.983 1.00 1.00 C ATOM 430 O GLU A 39 57.476 -4.200 6.044 1.00 1.00 O ATOM 431 CB GLU A 39 56.460 -2.553 3.719 1.00 1.00 C ATOM 432 CG GLU A 39 56.864 -1.668 2.533 1.00 1.00 C ATOM 433 CD GLU A 39 56.015 -0.401 2.523 1.00 1.00 C ATOM 434 OE1 GLU A 39 55.209 -0.245 3.425 1.00 1.00 O ATOM 435 OE2 GLU A 39 56.184 0.395 1.614 1.00 1.00 O ATOM 0 H GLU A 39 55.901 -4.455 2.178 1.00 1.00 H new ATOM 0 HA GLU A 39 58.309 -3.661 3.563 1.00 1.00 H new ATOM 0 HB2 GLU A 39 55.389 -2.755 3.685 1.00 1.00 H new ATOM 0 HB3 GLU A 39 56.656 -2.032 4.656 1.00 1.00 H new ATOM 0 HG2 GLU A 39 57.920 -1.409 2.604 1.00 1.00 H new ATOM 0 HG3 GLU A 39 56.732 -2.213 1.598 1.00 1.00 H new ATOM 442 N VAL A 40 56.308 -5.755 4.906 1.00 1.00 N ATOM 443 CA VAL A 40 56.012 -6.535 6.106 1.00 1.00 C ATOM 444 C VAL A 40 57.199 -7.402 6.545 1.00 1.00 C ATOM 445 O VAL A 40 57.605 -7.349 7.706 1.00 1.00 O ATOM 446 CB VAL A 40 54.770 -7.420 5.888 1.00 1.00 C ATOM 447 CG1 VAL A 40 54.586 -8.342 7.101 1.00 1.00 C ATOM 448 CG2 VAL A 40 53.513 -6.545 5.723 1.00 1.00 C ATOM 0 H VAL A 40 55.925 -6.137 4.041 1.00 1.00 H new ATOM 0 HA VAL A 40 55.811 -5.820 6.904 1.00 1.00 H new ATOM 0 HB VAL A 40 54.912 -8.013 4.985 1.00 1.00 H new ATOM 0 HG11 VAL A 40 53.708 -8.970 6.951 1.00 1.00 H new ATOM 0 HG12 VAL A 40 55.468 -8.972 7.216 1.00 1.00 H new ATOM 0 HG13 VAL A 40 54.451 -7.739 7.999 1.00 1.00 H new ATOM 0 HG21 VAL A 40 52.643 -7.183 5.570 1.00 1.00 H new ATOM 0 HG22 VAL A 40 53.368 -5.943 6.620 1.00 1.00 H new ATOM 0 HG23 VAL A 40 53.637 -5.888 4.862 1.00 1.00 H new ATOM 458 N ALA A 41 57.753 -8.202 5.634 1.00 1.00 N ATOM 459 CA ALA A 41 58.886 -9.060 5.995 1.00 1.00 C ATOM 460 C ALA A 41 60.151 -8.218 6.106 1.00 1.00 C ATOM 461 O ALA A 41 61.182 -8.671 6.602 1.00 1.00 O ATOM 462 CB ALA A 41 59.090 -10.178 4.952 1.00 1.00 C ATOM 0 H ALA A 41 57.447 -8.276 4.664 1.00 1.00 H new ATOM 0 HA ALA A 41 58.671 -9.527 6.956 1.00 1.00 H new ATOM 0 HB1 ALA A 41 59.937 -10.799 5.245 1.00 1.00 H new ATOM 0 HB2 ALA A 41 58.191 -10.792 4.897 1.00 1.00 H new ATOM 0 HB3 ALA A 41 59.286 -9.734 3.976 1.00 1.00 H new ATOM 468 N ILE A 42 60.046 -6.986 5.626 1.00 1.00 N ATOM 469 CA ILE A 42 61.153 -6.033 5.637 1.00 1.00 C ATOM 470 C ILE A 42 61.069 -5.117 6.850 1.00 1.00 C ATOM 471 O ILE A 42 62.085 -4.634 7.345 1.00 1.00 O ATOM 472 CB ILE A 42 61.082 -5.218 4.357 1.00 1.00 C ATOM 473 CG1 ILE A 42 61.349 -6.161 3.189 1.00 1.00 C ATOM 474 CG2 ILE A 42 62.120 -4.091 4.378 1.00 1.00 C ATOM 475 CD1 ILE A 42 61.256 -5.428 1.837 1.00 1.00 C ATOM 0 H ILE A 42 59.188 -6.616 5.216 1.00 1.00 H new ATOM 0 HA ILE A 42 62.101 -6.568 5.696 1.00 1.00 H new ATOM 0 HB ILE A 42 60.098 -4.759 4.258 1.00 1.00 H new ATOM 0 HG12 ILE A 42 62.339 -6.603 3.297 1.00 1.00 H new ATOM 0 HG13 ILE A 42 60.630 -6.980 3.210 1.00 1.00 H new ATOM 0 HG21 ILE A 42 62.054 -3.518 3.453 1.00 1.00 H new ATOM 0 HG22 ILE A 42 61.927 -3.434 5.226 1.00 1.00 H new ATOM 0 HG23 ILE A 42 63.119 -4.518 4.470 1.00 1.00 H new ATOM 0 HD11 ILE A 42 61.452 -6.131 1.028 1.00 1.00 H new ATOM 0 HD12 ILE A 42 60.257 -5.008 1.719 1.00 1.00 H new ATOM 0 HD13 ILE A 42 61.993 -4.625 1.807 1.00 1.00 H new ATOM 487 N SER A 43 59.837 -4.868 7.276 1.00 1.00 N ATOM 488 CA SER A 43 59.533 -3.991 8.413 1.00 1.00 C ATOM 489 C SER A 43 60.706 -3.830 9.392 1.00 1.00 C ATOM 490 O SER A 43 60.871 -2.768 9.989 1.00 1.00 O ATOM 491 CB SER A 43 58.327 -4.553 9.166 1.00 1.00 C ATOM 492 OG SER A 43 58.695 -5.778 9.786 1.00 1.00 O ATOM 0 H SER A 43 59.007 -5.271 6.841 1.00 1.00 H new ATOM 0 HA SER A 43 59.324 -3.002 8.005 1.00 1.00 H new ATOM 0 HB2 SER A 43 57.986 -3.839 9.916 1.00 1.00 H new ATOM 0 HB3 SER A 43 57.496 -4.714 8.479 1.00 1.00 H new ATOM 0 HG SER A 43 58.407 -6.528 9.225 1.00 1.00 H new ATOM 498 N GLU A 44 61.510 -4.877 9.562 1.00 1.00 N ATOM 499 CA GLU A 44 62.649 -4.814 10.480 1.00 1.00 C ATOM 500 C GLU A 44 63.555 -3.611 10.162 1.00 1.00 C ATOM 501 O GLU A 44 64.087 -2.979 11.072 1.00 1.00 O ATOM 502 CB GLU A 44 63.464 -6.125 10.400 1.00 1.00 C ATOM 503 CG GLU A 44 64.046 -6.481 11.774 1.00 1.00 C ATOM 504 CD GLU A 44 64.999 -5.385 12.238 1.00 1.00 C ATOM 505 OE1 GLU A 44 65.635 -4.784 11.389 1.00 1.00 O ATOM 506 OE2 GLU A 44 65.079 -5.162 13.435 1.00 1.00 O ATOM 0 H GLU A 44 61.398 -5.771 9.083 1.00 1.00 H new ATOM 0 HA GLU A 44 62.263 -4.689 11.492 1.00 1.00 H new ATOM 0 HB2 GLU A 44 62.826 -6.936 10.048 1.00 1.00 H new ATOM 0 HB3 GLU A 44 64.270 -6.015 9.674 1.00 1.00 H new ATOM 0 HG2 GLU A 44 63.241 -6.604 12.498 1.00 1.00 H new ATOM 0 HG3 GLU A 44 64.573 -7.433 11.719 1.00 1.00 H new ATOM 513 N GLU A 45 63.730 -3.309 8.873 1.00 1.00 N ATOM 514 CA GLU A 45 64.577 -2.180 8.456 1.00 1.00 C ATOM 515 C GLU A 45 64.675 -2.131 6.924 1.00 1.00 C ATOM 516 O GLU A 45 65.561 -2.748 6.331 1.00 1.00 O ATOM 517 CB GLU A 45 65.991 -2.312 9.087 1.00 1.00 C ATOM 518 CG GLU A 45 66.254 -1.166 10.078 1.00 1.00 C ATOM 519 CD GLU A 45 66.425 0.144 9.317 1.00 1.00 C ATOM 520 OE1 GLU A 45 65.968 0.213 8.187 1.00 1.00 O ATOM 521 OE2 GLU A 45 67.007 1.060 9.874 1.00 1.00 O ATOM 0 H GLU A 45 63.302 -3.823 8.103 1.00 1.00 H new ATOM 0 HA GLU A 45 64.126 -1.251 8.805 1.00 1.00 H new ATOM 0 HB2 GLU A 45 66.078 -3.270 9.600 1.00 1.00 H new ATOM 0 HB3 GLU A 45 66.747 -2.301 8.302 1.00 1.00 H new ATOM 0 HG2 GLU A 45 65.425 -1.083 10.781 1.00 1.00 H new ATOM 0 HG3 GLU A 45 67.149 -1.377 10.663 1.00 1.00 H new ATOM 528 N LEU A 46 63.752 -1.409 6.294 1.00 1.00 N ATOM 529 CA LEU A 46 63.736 -1.304 4.835 1.00 1.00 C ATOM 530 C LEU A 46 64.912 -0.517 4.280 1.00 1.00 C ATOM 531 O LEU A 46 65.419 -0.847 3.222 1.00 1.00 O ATOM 532 CB LEU A 46 62.412 -0.680 4.345 1.00 1.00 C ATOM 533 CG LEU A 46 62.422 0.863 4.517 1.00 1.00 C ATOM 534 CD1 LEU A 46 62.892 1.567 3.223 1.00 1.00 C ATOM 535 CD2 LEU A 46 61.012 1.356 4.863 1.00 1.00 C ATOM 0 H LEU A 46 63.010 -0.891 6.765 1.00 1.00 H new ATOM 0 HA LEU A 46 63.824 -2.323 4.458 1.00 1.00 H new ATOM 0 HB2 LEU A 46 62.255 -0.931 3.296 1.00 1.00 H new ATOM 0 HB3 LEU A 46 61.578 -1.106 4.903 1.00 1.00 H new ATOM 0 HG LEU A 46 63.116 1.105 5.322 1.00 1.00 H new ATOM 0 HD11 LEU A 46 62.888 2.646 3.374 1.00 1.00 H new ATOM 0 HD12 LEU A 46 63.902 1.238 2.976 1.00 1.00 H new ATOM 0 HD13 LEU A 46 62.218 1.313 2.405 1.00 1.00 H new ATOM 0 HD21 LEU A 46 61.024 2.439 4.983 1.00 1.00 H new ATOM 0 HD22 LEU A 46 60.325 1.087 4.060 1.00 1.00 H new ATOM 0 HD23 LEU A 46 60.682 0.892 5.793 1.00 1.00 H new ATOM 547 N VAL A 47 65.315 0.543 4.951 1.00 1.00 N ATOM 548 CA VAL A 47 66.387 1.369 4.425 1.00 1.00 C ATOM 549 C VAL A 47 67.639 0.556 4.180 1.00 1.00 C ATOM 550 O VAL A 47 68.268 0.679 3.129 1.00 1.00 O ATOM 551 CB VAL A 47 66.693 2.501 5.399 1.00 1.00 C ATOM 552 CG1 VAL A 47 67.880 3.322 4.890 1.00 1.00 C ATOM 553 CG2 VAL A 47 65.471 3.404 5.495 1.00 1.00 C ATOM 0 H VAL A 47 64.927 0.850 5.843 1.00 1.00 H new ATOM 0 HA VAL A 47 66.058 1.782 3.472 1.00 1.00 H new ATOM 0 HB VAL A 47 66.938 2.085 6.376 1.00 1.00 H new ATOM 0 HG11 VAL A 47 68.092 4.129 5.592 1.00 1.00 H new ATOM 0 HG12 VAL A 47 68.756 2.679 4.801 1.00 1.00 H new ATOM 0 HG13 VAL A 47 67.639 3.744 3.914 1.00 1.00 H new ATOM 0 HG21 VAL A 47 65.675 4.219 6.189 1.00 1.00 H new ATOM 0 HG22 VAL A 47 65.243 3.813 4.511 1.00 1.00 H new ATOM 0 HG23 VAL A 47 64.619 2.826 5.854 1.00 1.00 H new ATOM 563 N GLN A 48 68.017 -0.263 5.144 1.00 1.00 N ATOM 564 CA GLN A 48 69.213 -1.060 4.977 1.00 1.00 C ATOM 565 C GLN A 48 69.008 -2.177 3.947 1.00 1.00 C ATOM 566 O GLN A 48 69.866 -2.411 3.095 1.00 1.00 O ATOM 567 CB GLN A 48 69.643 -1.666 6.318 1.00 1.00 C ATOM 568 CG GLN A 48 69.857 -0.557 7.355 1.00 1.00 C ATOM 569 CD GLN A 48 70.980 0.378 6.914 1.00 1.00 C ATOM 570 OE1 GLN A 48 70.775 1.247 6.069 1.00 1.00 O ATOM 571 NE2 GLN A 48 72.167 0.249 7.446 1.00 1.00 N ATOM 0 H GLN A 48 67.526 -0.391 6.029 1.00 1.00 H new ATOM 0 HA GLN A 48 69.998 -0.399 4.610 1.00 1.00 H new ATOM 0 HB2 GLN A 48 68.883 -2.363 6.671 1.00 1.00 H new ATOM 0 HB3 GLN A 48 70.563 -2.236 6.190 1.00 1.00 H new ATOM 0 HG2 GLN A 48 68.935 0.009 7.486 1.00 1.00 H new ATOM 0 HG3 GLN A 48 70.101 -0.997 8.322 1.00 1.00 H new ATOM 0 HE21 GLN A 48 72.336 -0.472 8.147 1.00 1.00 H new ATOM 0 HE22 GLN A 48 72.924 0.870 7.160 1.00 1.00 H new ATOM 580 N LYS A 49 67.881 -2.885 4.048 1.00 1.00 N ATOM 581 CA LYS A 49 67.598 -3.995 3.131 1.00 1.00 C ATOM 582 C LYS A 49 67.373 -3.495 1.716 1.00 1.00 C ATOM 583 O LYS A 49 67.876 -4.070 0.750 1.00 1.00 O ATOM 584 CB LYS A 49 66.366 -4.797 3.645 1.00 1.00 C ATOM 585 CG LYS A 49 65.634 -5.613 2.507 1.00 1.00 C ATOM 586 CD LYS A 49 65.327 -7.056 2.990 1.00 1.00 C ATOM 587 CE LYS A 49 64.785 -7.964 1.847 1.00 1.00 C ATOM 588 NZ LYS A 49 63.576 -7.330 1.253 1.00 1.00 N ATOM 0 H LYS A 49 67.157 -2.714 4.746 1.00 1.00 H new ATOM 0 HA LYS A 49 68.464 -4.657 3.105 1.00 1.00 H new ATOM 0 HB2 LYS A 49 66.689 -5.485 4.426 1.00 1.00 H new ATOM 0 HB3 LYS A 49 65.657 -4.107 4.102 1.00 1.00 H new ATOM 0 HG2 LYS A 49 64.708 -5.111 2.229 1.00 1.00 H new ATOM 0 HG3 LYS A 49 66.259 -5.646 1.615 1.00 1.00 H new ATOM 0 HD2 LYS A 49 66.234 -7.498 3.402 1.00 1.00 H new ATOM 0 HD3 LYS A 49 64.596 -7.018 3.797 1.00 1.00 H new ATOM 0 HE2 LYS A 49 65.550 -8.104 1.083 1.00 1.00 H new ATOM 0 HE3 LYS A 49 64.539 -8.952 2.236 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 63.592 -7.451 0.220 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 62.722 -7.779 1.641 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 63.568 -6.316 1.482 1.00 1.00 H new ATOM 602 N TYR A 50 66.603 -2.444 1.605 1.00 1.00 N ATOM 603 CA TYR A 50 66.287 -1.878 0.315 1.00 1.00 C ATOM 604 C TYR A 50 67.555 -1.640 -0.490 1.00 1.00 C ATOM 605 O TYR A 50 67.673 -2.097 -1.626 1.00 1.00 O ATOM 606 CB TYR A 50 65.563 -0.574 0.583 1.00 1.00 C ATOM 607 CG TYR A 50 65.294 0.193 -0.690 1.00 1.00 C ATOM 608 CD1 TYR A 50 64.414 -0.325 -1.649 1.00 1.00 C ATOM 609 CD2 TYR A 50 65.900 1.439 -0.898 1.00 1.00 C ATOM 610 CE1 TYR A 50 64.145 0.402 -2.815 1.00 1.00 C ATOM 611 CE2 TYR A 50 65.631 2.163 -2.063 1.00 1.00 C ATOM 612 CZ TYR A 50 64.754 1.646 -3.022 1.00 1.00 C ATOM 613 OH TYR A 50 64.487 2.361 -4.173 1.00 1.00 O ATOM 0 H TYR A 50 66.180 -1.959 2.396 1.00 1.00 H new ATOM 0 HA TYR A 50 65.665 -2.555 -0.271 1.00 1.00 H new ATOM 0 HB2 TYR A 50 64.620 -0.780 1.089 1.00 1.00 H new ATOM 0 HB3 TYR A 50 66.159 0.040 1.258 1.00 1.00 H new ATOM 0 HD1 TYR A 50 63.944 -1.284 -1.489 1.00 1.00 H new ATOM 0 HD2 TYR A 50 66.576 1.841 -0.157 1.00 1.00 H new ATOM 0 HE1 TYR A 50 63.467 0.003 -3.555 1.00 1.00 H new ATOM 0 HE2 TYR A 50 66.101 3.122 -2.223 1.00 1.00 H new ATOM 0 HH TYR A 50 64.989 3.202 -4.159 1.00 1.00 H new ATOM 623 N SER A 51 68.508 -0.939 0.109 1.00 1.00 N ATOM 624 CA SER A 51 69.771 -0.672 -0.561 1.00 1.00 C ATOM 625 C SER A 51 70.642 -1.932 -0.638 1.00 1.00 C ATOM 626 O SER A 51 71.246 -2.216 -1.671 1.00 1.00 O ATOM 627 CB SER A 51 70.530 0.431 0.185 1.00 1.00 C ATOM 628 OG SER A 51 69.851 1.667 -0.001 1.00 1.00 O ATOM 0 H SER A 51 68.431 -0.549 1.048 1.00 1.00 H new ATOM 0 HA SER A 51 69.550 -0.348 -1.578 1.00 1.00 H new ATOM 0 HB2 SER A 51 70.594 0.192 1.247 1.00 1.00 H new ATOM 0 HB3 SER A 51 71.552 0.503 -0.187 1.00 1.00 H new ATOM 0 HG SER A 51 70.329 2.378 0.475 1.00 1.00 H new ATOM 634 N ASN A 52 70.736 -2.658 0.483 1.00 1.00 N ATOM 635 CA ASN A 52 71.579 -3.857 0.548 1.00 1.00 C ATOM 636 C ASN A 52 70.898 -5.132 0.047 1.00 1.00 C ATOM 637 O ASN A 52 71.316 -5.712 -0.956 1.00 1.00 O ATOM 638 CB ASN A 52 72.020 -4.074 1.993 1.00 1.00 C ATOM 639 CG ASN A 52 72.683 -2.802 2.512 1.00 1.00 C ATOM 640 OD1 ASN A 52 73.494 -2.198 1.808 1.00 1.00 O ATOM 641 ND2 ASN A 52 72.385 -2.350 3.699 1.00 1.00 N ATOM 0 H ASN A 52 70.244 -2.439 1.349 1.00 1.00 H new ATOM 0 HA ASN A 52 72.424 -3.674 -0.116 1.00 1.00 H new ATOM 0 HB2 ASN A 52 71.161 -4.330 2.613 1.00 1.00 H new ATOM 0 HB3 ASN A 52 72.716 -4.911 2.052 1.00 1.00 H new ATOM 0 HD21 ASN A 52 72.823 -1.496 4.045 1.00 1.00 H new ATOM 0 HD22 ASN A 52 71.714 -2.850 4.281 1.00 1.00 H new ATOM 648 N SER A 53 69.875 -5.591 0.766 1.00 1.00 N ATOM 649 CA SER A 53 69.184 -6.830 0.397 1.00 1.00 C ATOM 650 C SER A 53 68.087 -6.574 -0.627 1.00 1.00 C ATOM 651 O SER A 53 66.949 -7.008 -0.459 1.00 1.00 O ATOM 652 CB SER A 53 68.597 -7.504 1.643 1.00 1.00 C ATOM 653 OG SER A 53 69.641 -8.178 2.335 1.00 1.00 O ATOM 0 H SER A 53 69.508 -5.131 1.599 1.00 1.00 H new ATOM 0 HA SER A 53 69.917 -7.496 -0.058 1.00 1.00 H new ATOM 0 HB2 SER A 53 68.133 -6.760 2.291 1.00 1.00 H new ATOM 0 HB3 SER A 53 67.816 -8.209 1.358 1.00 1.00 H new ATOM 0 HG SER A 53 69.277 -8.611 3.135 1.00 1.00 H new ATOM 659 N ALA A 54 68.445 -5.886 -1.696 1.00 1.00 N ATOM 660 CA ALA A 54 67.495 -5.602 -2.755 1.00 1.00 C ATOM 661 C ALA A 54 67.114 -6.890 -3.473 1.00 1.00 C ATOM 662 O ALA A 54 66.037 -7.000 -4.056 1.00 1.00 O ATOM 663 CB ALA A 54 68.092 -4.621 -3.750 1.00 1.00 C ATOM 0 H ALA A 54 69.382 -5.515 -1.853 1.00 1.00 H new ATOM 0 HA ALA A 54 66.603 -5.159 -2.312 1.00 1.00 H new ATOM 0 HB1 ALA A 54 67.368 -4.417 -4.539 1.00 1.00 H new ATOM 0 HB2 ALA A 54 68.343 -3.692 -3.239 1.00 1.00 H new ATOM 0 HB3 ALA A 54 68.994 -5.050 -4.187 1.00 1.00 H new ATOM 669 N LEU A 55 68.023 -7.854 -3.439 1.00 1.00 N ATOM 670 CA LEU A 55 67.801 -9.134 -4.104 1.00 1.00 C ATOM 671 C LEU A 55 66.876 -10.025 -3.271 1.00 1.00 C ATOM 672 O LEU A 55 66.499 -11.114 -3.703 1.00 1.00 O ATOM 673 CB LEU A 55 69.149 -9.844 -4.320 1.00 1.00 C ATOM 674 CG LEU A 55 69.932 -9.181 -5.480 1.00 1.00 C ATOM 675 CD1 LEU A 55 70.672 -7.939 -4.973 1.00 1.00 C ATOM 676 CD2 LEU A 55 70.960 -10.166 -6.057 1.00 1.00 C ATOM 0 H LEU A 55 68.920 -7.776 -2.960 1.00 1.00 H new ATOM 0 HA LEU A 55 67.326 -8.948 -5.067 1.00 1.00 H new ATOM 0 HB2 LEU A 55 69.739 -9.802 -3.405 1.00 1.00 H new ATOM 0 HB3 LEU A 55 68.980 -10.898 -4.543 1.00 1.00 H new ATOM 0 HG LEU A 55 69.220 -8.896 -6.255 1.00 1.00 H new ATOM 0 HD11 LEU A 55 71.219 -7.480 -5.796 1.00 1.00 H new ATOM 0 HD12 LEU A 55 69.952 -7.225 -4.573 1.00 1.00 H new ATOM 0 HD13 LEU A 55 71.371 -8.227 -4.188 1.00 1.00 H new ATOM 0 HD21 LEU A 55 71.504 -9.688 -6.872 1.00 1.00 H new ATOM 0 HD22 LEU A 55 71.661 -10.460 -5.276 1.00 1.00 H new ATOM 0 HD23 LEU A 55 70.445 -11.050 -6.434 1.00 1.00 H new ATOM 688 N GLY A 56 66.518 -9.561 -2.071 1.00 1.00 N ATOM 689 CA GLY A 56 65.642 -10.332 -1.179 1.00 1.00 C ATOM 690 C GLY A 56 64.193 -9.837 -1.233 1.00 1.00 C ATOM 691 O GLY A 56 63.287 -10.504 -0.732 1.00 1.00 O ATOM 0 H GLY A 56 66.818 -8.662 -1.695 1.00 1.00 H new ATOM 0 HA2 GLY A 56 65.676 -11.385 -1.458 1.00 1.00 H new ATOM 0 HA3 GLY A 56 66.012 -10.261 -0.156 1.00 1.00 H new ATOM 695 N HIS A 57 63.978 -8.666 -1.832 1.00 1.00 N ATOM 696 CA HIS A 57 62.630 -8.092 -1.933 1.00 1.00 C ATOM 697 C HIS A 57 61.996 -8.420 -3.285 1.00 1.00 C ATOM 698 O HIS A 57 60.894 -7.970 -3.582 1.00 1.00 O ATOM 699 CB HIS A 57 62.704 -6.563 -1.743 1.00 1.00 C ATOM 700 CG HIS A 57 63.305 -5.880 -2.949 1.00 1.00 C ATOM 701 ND1 HIS A 57 63.490 -6.513 -4.165 1.00 1.00 N ATOM 702 CD2 HIS A 57 63.764 -4.599 -3.118 1.00 1.00 C ATOM 703 CE1 HIS A 57 64.041 -5.624 -5.009 1.00 1.00 C ATOM 704 NE2 HIS A 57 64.232 -4.439 -4.422 1.00 1.00 N ATOM 0 H HIS A 57 64.712 -8.097 -2.253 1.00 1.00 H new ATOM 0 HA HIS A 57 62.008 -8.528 -1.151 1.00 1.00 H new ATOM 0 HB2 HIS A 57 61.704 -6.170 -1.563 1.00 1.00 H new ATOM 0 HB3 HIS A 57 63.301 -6.334 -0.860 1.00 1.00 H new ATOM 0 HD2 HIS A 57 63.763 -3.832 -2.358 1.00 1.00 H new ATOM 0 HE1 HIS A 57 64.298 -5.841 -6.035 1.00 1.00 H new ATOM 0 HE2 HIS A 57 64.633 -3.599 -4.838 1.00 1.00 H new ATOM 712 N VAL A 58 62.713 -9.175 -4.119 1.00 1.00 N ATOM 713 CA VAL A 58 62.204 -9.509 -5.450 1.00 1.00 C ATOM 714 C VAL A 58 61.166 -10.623 -5.434 1.00 1.00 C ATOM 715 O VAL A 58 59.997 -10.383 -5.737 1.00 1.00 O ATOM 716 CB VAL A 58 63.380 -9.897 -6.361 1.00 1.00 C ATOM 717 CG1 VAL A 58 64.361 -8.721 -6.429 1.00 1.00 C ATOM 718 CG2 VAL A 58 64.107 -11.142 -5.814 1.00 1.00 C ATOM 0 H VAL A 58 63.632 -9.561 -3.902 1.00 1.00 H new ATOM 0 HA VAL A 58 61.699 -8.623 -5.834 1.00 1.00 H new ATOM 0 HB VAL A 58 62.999 -10.131 -7.355 1.00 1.00 H new ATOM 0 HG11 VAL A 58 65.200 -8.984 -7.073 1.00 1.00 H new ATOM 0 HG12 VAL A 58 63.853 -7.846 -6.835 1.00 1.00 H new ATOM 0 HG13 VAL A 58 64.728 -8.495 -5.428 1.00 1.00 H new ATOM 0 HG21 VAL A 58 64.936 -11.399 -6.474 1.00 1.00 H new ATOM 0 HG22 VAL A 58 64.490 -10.930 -4.816 1.00 1.00 H new ATOM 0 HG23 VAL A 58 63.410 -11.978 -5.765 1.00 1.00 H new ATOM 728 N ASN A 59 61.572 -11.844 -5.096 1.00 1.00 N ATOM 729 CA ASN A 59 60.619 -12.941 -5.079 1.00 1.00 C ATOM 730 C ASN A 59 59.675 -12.803 -3.914 1.00 1.00 C ATOM 731 O ASN A 59 58.498 -13.143 -4.012 1.00 1.00 O ATOM 732 CB ASN A 59 61.291 -14.304 -5.023 1.00 1.00 C ATOM 733 CG ASN A 59 62.006 -14.586 -6.340 1.00 1.00 C ATOM 734 OD1 ASN A 59 61.726 -13.937 -7.348 1.00 1.00 O ATOM 735 ND2 ASN A 59 62.913 -15.522 -6.395 1.00 1.00 N ATOM 0 H ASN A 59 62.527 -12.092 -4.838 1.00 1.00 H new ATOM 0 HA ASN A 59 60.066 -12.883 -6.017 1.00 1.00 H new ATOM 0 HB2 ASN A 59 62.004 -14.334 -4.199 1.00 1.00 H new ATOM 0 HB3 ASN A 59 60.548 -15.078 -4.830 1.00 1.00 H new ATOM 0 HD21 ASN A 59 63.392 -15.717 -7.274 1.00 1.00 H new ATOM 0 HD22 ASN A 59 63.144 -16.059 -5.559 1.00 1.00 H new ATOM 742 N SER A 60 60.198 -12.316 -2.796 1.00 1.00 N ATOM 743 CA SER A 60 59.374 -12.169 -1.619 1.00 1.00 C ATOM 744 C SER A 60 58.099 -11.447 -1.995 1.00 1.00 C ATOM 745 O SER A 60 57.024 -11.744 -1.491 1.00 1.00 O ATOM 746 CB SER A 60 60.114 -11.396 -0.528 1.00 1.00 C ATOM 747 OG SER A 60 61.185 -12.190 -0.034 1.00 1.00 O ATOM 0 H SER A 60 61.169 -12.024 -2.686 1.00 1.00 H new ATOM 0 HA SER A 60 59.136 -13.158 -1.227 1.00 1.00 H new ATOM 0 HB2 SER A 60 60.497 -10.457 -0.927 1.00 1.00 H new ATOM 0 HB3 SER A 60 59.430 -11.143 0.282 1.00 1.00 H new ATOM 0 HG SER A 60 62.036 -11.733 -0.202 1.00 1.00 H new ATOM 753 N THR A 61 58.228 -10.507 -2.903 1.00 1.00 N ATOM 754 CA THR A 61 57.077 -9.764 -3.357 1.00 1.00 C ATOM 755 C THR A 61 56.079 -10.663 -4.077 1.00 1.00 C ATOM 756 O THR A 61 54.892 -10.650 -3.781 1.00 1.00 O ATOM 757 CB THR A 61 57.528 -8.660 -4.316 1.00 1.00 C ATOM 758 OG1 THR A 61 58.573 -7.920 -3.706 1.00 1.00 O ATOM 759 CG2 THR A 61 56.359 -7.726 -4.640 1.00 1.00 C ATOM 0 H THR A 61 59.111 -10.241 -3.338 1.00 1.00 H new ATOM 0 HA THR A 61 56.589 -9.336 -2.481 1.00 1.00 H new ATOM 0 HB THR A 61 57.881 -9.110 -5.244 1.00 1.00 H new ATOM 0 HG1 THR A 61 59.425 -8.384 -3.843 1.00 1.00 H new ATOM 0 HG21 THR A 61 56.695 -6.946 -5.323 1.00 1.00 H new ATOM 0 HG22 THR A 61 55.556 -8.296 -5.107 1.00 1.00 H new ATOM 0 HG23 THR A 61 55.992 -7.270 -3.721 1.00 1.00 H new ATOM 767 N ILE A 62 56.559 -11.416 -5.050 1.00 1.00 N ATOM 768 CA ILE A 62 55.666 -12.253 -5.834 1.00 1.00 C ATOM 769 C ILE A 62 55.042 -13.359 -4.989 1.00 1.00 C ATOM 770 O ILE A 62 53.842 -13.619 -5.075 1.00 1.00 O ATOM 771 CB ILE A 62 56.425 -12.873 -7.003 1.00 1.00 C ATOM 772 CG1 ILE A 62 57.199 -11.762 -7.750 1.00 1.00 C ATOM 773 CG2 ILE A 62 55.417 -13.512 -7.966 1.00 1.00 C ATOM 774 CD1 ILE A 62 58.287 -12.371 -8.618 1.00 1.00 C ATOM 0 H ILE A 62 57.543 -11.467 -5.314 1.00 1.00 H new ATOM 0 HA ILE A 62 54.863 -11.618 -6.208 1.00 1.00 H new ATOM 0 HB ILE A 62 57.122 -13.627 -6.636 1.00 1.00 H new ATOM 0 HG12 ILE A 62 56.512 -11.183 -8.368 1.00 1.00 H new ATOM 0 HG13 ILE A 62 57.641 -11.071 -7.032 1.00 1.00 H new ATOM 0 HG21 ILE A 62 55.949 -13.959 -8.806 1.00 1.00 H new ATOM 0 HG22 ILE A 62 54.852 -14.284 -7.443 1.00 1.00 H new ATOM 0 HG23 ILE A 62 54.732 -12.749 -8.335 1.00 1.00 H new ATOM 0 HD11 ILE A 62 58.824 -11.578 -9.138 1.00 1.00 H new ATOM 0 HD12 ILE A 62 58.982 -12.930 -7.991 1.00 1.00 H new ATOM 0 HD13 ILE A 62 57.836 -13.043 -9.348 1.00 1.00 H new ATOM 786 N LYS A 63 55.868 -14.015 -4.185 1.00 1.00 N ATOM 787 CA LYS A 63 55.396 -15.112 -3.341 1.00 1.00 C ATOM 788 C LYS A 63 54.420 -14.638 -2.252 1.00 1.00 C ATOM 789 O LYS A 63 53.425 -15.305 -1.967 1.00 1.00 O ATOM 790 CB LYS A 63 56.613 -15.806 -2.677 1.00 1.00 C ATOM 791 CG LYS A 63 57.202 -16.858 -3.627 1.00 1.00 C ATOM 792 CD LYS A 63 57.597 -16.194 -4.948 1.00 1.00 C ATOM 793 CE LYS A 63 58.369 -17.187 -5.820 1.00 1.00 C ATOM 794 NZ LYS A 63 57.422 -18.184 -6.396 1.00 1.00 N ATOM 0 H LYS A 63 56.863 -13.811 -4.097 1.00 1.00 H new ATOM 0 HA LYS A 63 54.856 -15.810 -3.980 1.00 1.00 H new ATOM 0 HB2 LYS A 63 57.372 -15.065 -2.426 1.00 1.00 H new ATOM 0 HB3 LYS A 63 56.308 -16.278 -1.743 1.00 1.00 H new ATOM 0 HG2 LYS A 63 58.073 -17.328 -3.170 1.00 1.00 H new ATOM 0 HG3 LYS A 63 56.473 -17.647 -3.809 1.00 1.00 H new ATOM 0 HD2 LYS A 63 56.706 -15.852 -5.474 1.00 1.00 H new ATOM 0 HD3 LYS A 63 58.210 -15.314 -4.754 1.00 1.00 H new ATOM 0 HE2 LYS A 63 58.888 -16.658 -6.620 1.00 1.00 H new ATOM 0 HE3 LYS A 63 59.130 -17.693 -5.226 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 57.944 -18.849 -7.002 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 56.959 -18.708 -5.626 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 56.702 -17.692 -6.962 1.00 1.00 H new ATOM 808 N GLU A 64 54.747 -13.525 -1.603 1.00 1.00 N ATOM 809 CA GLU A 64 53.938 -13.008 -0.493 1.00 1.00 C ATOM 810 C GLU A 64 52.592 -12.393 -0.893 1.00 1.00 C ATOM 811 O GLU A 64 51.619 -12.526 -0.153 1.00 1.00 O ATOM 812 CB GLU A 64 54.746 -11.951 0.255 1.00 1.00 C ATOM 813 CG GLU A 64 55.993 -12.596 0.865 1.00 1.00 C ATOM 814 CD GLU A 64 55.617 -13.410 2.096 1.00 1.00 C ATOM 815 OE1 GLU A 64 54.594 -13.116 2.692 1.00 1.00 O ATOM 816 OE2 GLU A 64 56.375 -14.303 2.442 1.00 1.00 O ATOM 0 H GLU A 64 55.567 -12.960 -1.823 1.00 1.00 H new ATOM 0 HA GLU A 64 53.701 -13.875 0.124 1.00 1.00 H new ATOM 0 HB2 GLU A 64 55.034 -11.150 -0.426 1.00 1.00 H new ATOM 0 HB3 GLU A 64 54.137 -11.500 1.038 1.00 1.00 H new ATOM 0 HG2 GLU A 64 56.476 -13.239 0.129 1.00 1.00 H new ATOM 0 HG3 GLU A 64 56.714 -11.825 1.136 1.00 1.00 H new ATOM 823 N LEU A 65 52.533 -11.674 -2.013 1.00 1.00 N ATOM 824 CA LEU A 65 51.279 -11.006 -2.396 1.00 1.00 C ATOM 825 C LEU A 65 50.052 -11.881 -2.125 1.00 1.00 C ATOM 826 O LEU A 65 49.103 -11.432 -1.485 1.00 1.00 O ATOM 827 CB LEU A 65 51.327 -10.574 -3.883 1.00 1.00 C ATOM 828 CG LEU A 65 51.624 -9.069 -4.000 1.00 1.00 C ATOM 829 CD1 LEU A 65 53.012 -8.736 -3.426 1.00 1.00 C ATOM 830 CD2 LEU A 65 51.548 -8.664 -5.479 1.00 1.00 C ATOM 0 H LEU A 65 53.311 -11.538 -2.658 1.00 1.00 H new ATOM 0 HA LEU A 65 51.182 -10.117 -1.773 1.00 1.00 H new ATOM 0 HB2 LEU A 65 52.094 -11.143 -4.408 1.00 1.00 H new ATOM 0 HB3 LEU A 65 50.376 -10.801 -4.364 1.00 1.00 H new ATOM 0 HG LEU A 65 50.885 -8.511 -3.424 1.00 1.00 H new ATOM 0 HD11 LEU A 65 53.198 -7.666 -3.521 1.00 1.00 H new ATOM 0 HD12 LEU A 65 53.048 -9.019 -2.374 1.00 1.00 H new ATOM 0 HD13 LEU A 65 53.775 -9.287 -3.976 1.00 1.00 H new ATOM 0 HD21 LEU A 65 51.757 -7.599 -5.576 1.00 1.00 H new ATOM 0 HD22 LEU A 65 52.283 -9.231 -6.050 1.00 1.00 H new ATOM 0 HD23 LEU A 65 50.550 -8.874 -5.863 1.00 1.00 H new ATOM 842 N ARG A 66 50.061 -13.110 -2.604 1.00 1.00 N ATOM 843 CA ARG A 66 48.925 -13.990 -2.380 1.00 1.00 C ATOM 844 C ARG A 66 48.784 -14.299 -0.889 1.00 1.00 C ATOM 845 O ARG A 66 47.676 -14.453 -0.373 1.00 1.00 O ATOM 846 CB ARG A 66 49.101 -15.290 -3.176 1.00 1.00 C ATOM 847 CG ARG A 66 50.413 -15.973 -2.776 1.00 1.00 C ATOM 848 CD ARG A 66 50.561 -17.287 -3.543 1.00 1.00 C ATOM 849 NE ARG A 66 50.592 -17.038 -4.982 1.00 1.00 N ATOM 850 CZ ARG A 66 51.725 -16.742 -5.611 1.00 1.00 C ATOM 851 NH1 ARG A 66 52.845 -16.670 -4.944 1.00 1.00 N ATOM 852 NH2 ARG A 66 51.718 -16.523 -6.898 1.00 1.00 N ATOM 0 H ARG A 66 50.826 -13.518 -3.141 1.00 1.00 H new ATOM 0 HA ARG A 66 48.019 -13.489 -2.721 1.00 1.00 H new ATOM 0 HB2 ARG A 66 48.261 -15.958 -2.988 1.00 1.00 H new ATOM 0 HB3 ARG A 66 49.104 -15.075 -4.245 1.00 1.00 H new ATOM 0 HG2 ARG A 66 51.257 -15.317 -2.992 1.00 1.00 H new ATOM 0 HG3 ARG A 66 50.423 -16.163 -1.703 1.00 1.00 H new ATOM 0 HD2 ARG A 66 51.476 -17.793 -3.236 1.00 1.00 H new ATOM 0 HD3 ARG A 66 49.732 -17.952 -3.301 1.00 1.00 H new ATOM 0 HE ARG A 66 49.725 -17.092 -5.516 1.00 1.00 H new ATOM 0 HH11 ARG A 66 52.852 -16.841 -3.938 1.00 1.00 H new ATOM 0 HH12 ARG A 66 53.713 -16.443 -5.428 1.00 1.00 H new ATOM 0 HH21 ARG A 66 50.844 -16.579 -7.420 1.00 1.00 H new ATOM 0 HH22 ARG A 66 52.587 -16.296 -7.381 1.00 1.00 H new ATOM 866 N ARG A 67 49.924 -14.419 -0.216 1.00 1.00 N ATOM 867 CA ARG A 67 49.971 -14.743 1.198 1.00 1.00 C ATOM 868 C ARG A 67 49.393 -13.639 2.088 1.00 1.00 C ATOM 869 O ARG A 67 48.698 -13.927 3.060 1.00 1.00 O ATOM 870 CB ARG A 67 51.430 -14.985 1.566 1.00 1.00 C ATOM 871 CG ARG A 67 51.502 -15.662 2.926 1.00 1.00 C ATOM 872 CD ARG A 67 52.954 -16.040 3.236 1.00 1.00 C ATOM 873 NE ARG A 67 53.398 -17.098 2.338 1.00 1.00 N ATOM 874 CZ ARG A 67 54.652 -17.539 2.361 1.00 1.00 C ATOM 875 NH1 ARG A 67 55.512 -17.017 3.193 1.00 1.00 N ATOM 876 NH2 ARG A 67 55.023 -18.493 1.552 1.00 1.00 N ATOM 0 H ARG A 67 50.842 -14.293 -0.641 1.00 1.00 H new ATOM 0 HA ARG A 67 49.355 -15.626 1.368 1.00 1.00 H new ATOM 0 HB2 ARG A 67 51.908 -15.609 0.811 1.00 1.00 H new ATOM 0 HB3 ARG A 67 51.972 -14.040 1.589 1.00 1.00 H new ATOM 0 HG2 ARG A 67 51.117 -14.994 3.697 1.00 1.00 H new ATOM 0 HG3 ARG A 67 50.874 -16.553 2.934 1.00 1.00 H new ATOM 0 HD2 ARG A 67 53.597 -15.166 3.127 1.00 1.00 H new ATOM 0 HD3 ARG A 67 53.039 -16.371 4.271 1.00 1.00 H new ATOM 0 HE ARG A 67 52.735 -17.508 1.680 1.00 1.00 H new ATOM 0 HH11 ARG A 67 55.222 -16.271 3.825 1.00 1.00 H new ATOM 0 HH12 ARG A 67 56.474 -17.355 3.211 1.00 1.00 H new ATOM 0 HH21 ARG A 67 54.351 -18.900 0.902 1.00 1.00 H new ATOM 0 HH22 ARG A 67 55.985 -18.831 1.570 1.00 1.00 H new ATOM 890 N LEU A 68 49.712 -12.391 1.778 1.00 1.00 N ATOM 891 CA LEU A 68 49.240 -11.265 2.593 1.00 1.00 C ATOM 892 C LEU A 68 47.722 -11.149 2.579 1.00 1.00 C ATOM 893 O LEU A 68 47.118 -10.836 3.597 1.00 1.00 O ATOM 894 CB LEU A 68 49.882 -9.940 2.123 1.00 1.00 C ATOM 895 CG LEU A 68 51.245 -9.700 2.810 1.00 1.00 C ATOM 896 CD1 LEU A 68 51.035 -9.147 4.234 1.00 1.00 C ATOM 897 CD2 LEU A 68 52.082 -10.989 2.855 1.00 1.00 C ATOM 0 H LEU A 68 50.289 -12.127 0.979 1.00 1.00 H new ATOM 0 HA LEU A 68 49.548 -11.462 3.620 1.00 1.00 H new ATOM 0 HB2 LEU A 68 50.017 -9.963 1.042 1.00 1.00 H new ATOM 0 HB3 LEU A 68 49.210 -9.110 2.343 1.00 1.00 H new ATOM 0 HG LEU A 68 51.794 -8.965 2.222 1.00 1.00 H new ATOM 0 HD11 LEU A 68 52.003 -8.982 4.707 1.00 1.00 H new ATOM 0 HD12 LEU A 68 50.492 -8.204 4.181 1.00 1.00 H new ATOM 0 HD13 LEU A 68 50.461 -9.864 4.822 1.00 1.00 H new ATOM 0 HD21 LEU A 68 53.035 -10.787 3.344 1.00 1.00 H new ATOM 0 HD22 LEU A 68 51.542 -11.754 3.413 1.00 1.00 H new ATOM 0 HD23 LEU A 68 52.263 -11.341 1.839 1.00 1.00 H new ATOM 909 N PHE A 69 47.115 -11.374 1.434 1.00 1.00 N ATOM 910 CA PHE A 69 45.667 -11.265 1.322 1.00 1.00 C ATOM 911 C PHE A 69 44.967 -12.263 2.247 1.00 1.00 C ATOM 912 O PHE A 69 43.964 -11.925 2.874 1.00 1.00 O ATOM 913 CB PHE A 69 45.259 -11.498 -0.134 1.00 1.00 C ATOM 914 CG PHE A 69 45.934 -10.498 -1.078 1.00 1.00 C ATOM 915 CD1 PHE A 69 46.652 -9.363 -0.612 1.00 1.00 C ATOM 916 CD2 PHE A 69 45.834 -10.721 -2.459 1.00 1.00 C ATOM 917 CE1 PHE A 69 47.246 -8.481 -1.524 1.00 1.00 C ATOM 918 CE2 PHE A 69 46.429 -9.838 -3.365 1.00 1.00 C ATOM 919 CZ PHE A 69 47.136 -8.715 -2.902 1.00 1.00 C ATOM 0 H PHE A 69 47.592 -11.632 0.570 1.00 1.00 H new ATOM 0 HA PHE A 69 45.360 -10.265 1.629 1.00 1.00 H new ATOM 0 HB2 PHE A 69 45.525 -12.513 -0.429 1.00 1.00 H new ATOM 0 HB3 PHE A 69 44.176 -11.412 -0.227 1.00 1.00 H new ATOM 0 HD1 PHE A 69 46.740 -9.180 0.449 1.00 1.00 H new ATOM 0 HD2 PHE A 69 45.293 -11.581 -2.825 1.00 1.00 H new ATOM 0 HE1 PHE A 69 47.789 -7.619 -1.165 1.00 1.00 H new ATOM 0 HE2 PHE A 69 46.345 -10.020 -4.426 1.00 1.00 H new ATOM 0 HZ PHE A 69 47.593 -8.035 -3.605 1.00 1.00 H new ATOM 929 N LEU A 70 45.490 -13.481 2.339 1.00 1.00 N ATOM 930 CA LEU A 70 44.881 -14.490 3.208 1.00 1.00 C ATOM 931 C LEU A 70 44.970 -14.073 4.684 1.00 1.00 C ATOM 932 O LEU A 70 44.008 -14.229 5.436 1.00 1.00 O ATOM 933 CB LEU A 70 45.564 -15.859 2.998 1.00 1.00 C ATOM 934 CG LEU A 70 44.898 -16.641 1.842 1.00 1.00 C ATOM 935 CD1 LEU A 70 43.519 -17.177 2.275 1.00 1.00 C ATOM 936 CD2 LEU A 70 44.744 -15.730 0.608 1.00 1.00 C ATOM 0 H LEU A 70 46.319 -13.793 1.834 1.00 1.00 H new ATOM 0 HA LEU A 70 43.827 -14.575 2.942 1.00 1.00 H new ATOM 0 HB2 LEU A 70 46.622 -15.712 2.780 1.00 1.00 H new ATOM 0 HB3 LEU A 70 45.506 -16.443 3.917 1.00 1.00 H new ATOM 0 HG LEU A 70 45.535 -17.487 1.584 1.00 1.00 H new ATOM 0 HD11 LEU A 70 43.066 -17.724 1.449 1.00 1.00 H new ATOM 0 HD12 LEU A 70 43.639 -17.843 3.129 1.00 1.00 H new ATOM 0 HD13 LEU A 70 42.876 -16.343 2.554 1.00 1.00 H new ATOM 0 HD21 LEU A 70 44.274 -16.289 -0.201 1.00 1.00 H new ATOM 0 HD22 LEU A 70 44.123 -14.872 0.864 1.00 1.00 H new ATOM 0 HD23 LEU A 70 45.726 -15.384 0.287 1.00 1.00 H new ATOM 948 N VAL A 71 46.131 -13.558 5.096 1.00 1.00 N ATOM 949 CA VAL A 71 46.333 -13.141 6.496 1.00 1.00 C ATOM 950 C VAL A 71 46.005 -11.658 6.701 1.00 1.00 C ATOM 951 O VAL A 71 45.864 -11.194 7.832 1.00 1.00 O ATOM 952 CB VAL A 71 47.779 -13.450 6.952 1.00 1.00 C ATOM 953 CG1 VAL A 71 48.818 -12.613 6.179 1.00 1.00 C ATOM 954 CG2 VAL A 71 47.903 -13.155 8.450 1.00 1.00 C ATOM 0 H VAL A 71 46.941 -13.419 4.492 1.00 1.00 H new ATOM 0 HA VAL A 71 45.642 -13.716 7.113 1.00 1.00 H new ATOM 0 HB VAL A 71 47.981 -14.501 6.747 1.00 1.00 H new ATOM 0 HG11 VAL A 71 49.819 -12.861 6.530 1.00 1.00 H new ATOM 0 HG12 VAL A 71 48.742 -12.832 5.114 1.00 1.00 H new ATOM 0 HG13 VAL A 71 48.628 -11.553 6.345 1.00 1.00 H new ATOM 0 HG21 VAL A 71 48.919 -13.370 8.780 1.00 1.00 H new ATOM 0 HG22 VAL A 71 47.676 -12.105 8.634 1.00 1.00 H new ATOM 0 HG23 VAL A 71 47.202 -13.780 9.003 1.00 1.00 H new ATOM 964 N ASP A 72 45.882 -10.921 5.604 1.00 1.00 N ATOM 965 CA ASP A 72 45.572 -9.494 5.671 1.00 1.00 C ATOM 966 C ASP A 72 46.370 -8.801 6.778 1.00 1.00 C ATOM 967 O ASP A 72 45.842 -8.516 7.852 1.00 1.00 O ATOM 968 CB ASP A 72 44.074 -9.303 5.921 1.00 1.00 C ATOM 969 CG ASP A 72 43.706 -7.827 5.797 1.00 1.00 C ATOM 970 OD1 ASP A 72 44.614 -7.016 5.699 1.00 1.00 O ATOM 971 OD2 ASP A 72 42.523 -7.532 5.795 1.00 1.00 O ATOM 0 H ASP A 72 45.992 -11.285 4.657 1.00 1.00 H new ATOM 0 HA ASP A 72 45.850 -9.042 4.719 1.00 1.00 H new ATOM 0 HB2 ASP A 72 43.500 -9.890 5.204 1.00 1.00 H new ATOM 0 HB3 ASP A 72 43.814 -9.669 6.914 1.00 1.00 H new ATOM 976 N ASP A 73 47.649 -8.529 6.501 1.00 1.00 N ATOM 977 CA ASP A 73 48.531 -7.858 7.469 1.00 1.00 C ATOM 978 C ASP A 73 49.033 -6.528 6.906 1.00 1.00 C ATOM 979 O ASP A 73 50.063 -6.012 7.339 1.00 1.00 O ATOM 980 CB ASP A 73 49.732 -8.752 7.800 1.00 1.00 C ATOM 981 CG ASP A 73 49.299 -9.904 8.700 1.00 1.00 C ATOM 982 OD1 ASP A 73 48.229 -9.811 9.278 1.00 1.00 O ATOM 983 OD2 ASP A 73 50.047 -10.862 8.798 1.00 1.00 O ATOM 0 H ASP A 73 48.099 -8.762 5.616 1.00 1.00 H new ATOM 0 HA ASP A 73 47.957 -7.669 8.376 1.00 1.00 H new ATOM 0 HB2 ASP A 73 50.168 -9.143 6.881 1.00 1.00 H new ATOM 0 HB3 ASP A 73 50.506 -8.165 8.295 1.00 1.00 H new ATOM 988 N LEU A 74 48.303 -5.982 5.941 1.00 1.00 N ATOM 989 CA LEU A 74 48.684 -4.714 5.324 1.00 1.00 C ATOM 990 C LEU A 74 48.754 -3.600 6.372 1.00 1.00 C ATOM 991 O LEU A 74 49.484 -2.628 6.203 1.00 1.00 O ATOM 992 CB LEU A 74 47.686 -4.357 4.200 1.00 1.00 C ATOM 993 CG LEU A 74 46.397 -3.698 4.771 1.00 1.00 C ATOM 994 CD1 LEU A 74 46.503 -2.162 4.700 1.00 1.00 C ATOM 995 CD2 LEU A 74 45.176 -4.146 3.952 1.00 1.00 C ATOM 0 H LEU A 74 47.447 -6.394 5.569 1.00 1.00 H new ATOM 0 HA LEU A 74 49.677 -4.818 4.887 1.00 1.00 H new ATOM 0 HB2 LEU A 74 48.161 -3.677 3.493 1.00 1.00 H new ATOM 0 HB3 LEU A 74 47.421 -5.258 3.647 1.00 1.00 H new ATOM 0 HG LEU A 74 46.284 -4.007 5.810 1.00 1.00 H new ATOM 0 HD11 LEU A 74 45.594 -1.716 5.103 1.00 1.00 H new ATOM 0 HD12 LEU A 74 47.361 -1.829 5.284 1.00 1.00 H new ATOM 0 HD13 LEU A 74 46.629 -1.854 3.662 1.00 1.00 H new ATOM 0 HD21 LEU A 74 44.277 -3.682 4.356 1.00 1.00 H new ATOM 0 HD22 LEU A 74 45.304 -3.844 2.913 1.00 1.00 H new ATOM 0 HD23 LEU A 74 45.080 -5.230 4.006 1.00 1.00 H new ATOM 1007 N VAL A 75 47.989 -3.746 7.448 1.00 1.00 N ATOM 1008 CA VAL A 75 47.983 -2.739 8.504 1.00 1.00 C ATOM 1009 C VAL A 75 49.347 -2.671 9.181 1.00 1.00 C ATOM 1010 O VAL A 75 49.875 -1.589 9.432 1.00 1.00 O ATOM 1011 CB VAL A 75 46.903 -3.071 9.536 1.00 1.00 C ATOM 1012 CG1 VAL A 75 47.000 -2.104 10.719 1.00 1.00 C ATOM 1013 CG2 VAL A 75 45.524 -2.944 8.888 1.00 1.00 C ATOM 0 H VAL A 75 47.372 -4.541 7.612 1.00 1.00 H new ATOM 0 HA VAL A 75 47.765 -1.768 8.059 1.00 1.00 H new ATOM 0 HB VAL A 75 47.048 -4.091 9.892 1.00 1.00 H new ATOM 0 HG11 VAL A 75 46.229 -2.345 11.450 1.00 1.00 H new ATOM 0 HG12 VAL A 75 47.982 -2.195 11.184 1.00 1.00 H new ATOM 0 HG13 VAL A 75 46.859 -1.082 10.366 1.00 1.00 H new ATOM 0 HG21 VAL A 75 44.754 -3.180 9.622 1.00 1.00 H new ATOM 0 HG22 VAL A 75 45.383 -1.924 8.529 1.00 1.00 H new ATOM 0 HG23 VAL A 75 45.451 -3.637 8.050 1.00 1.00 H new ATOM 1023 N ASP A 76 49.909 -3.837 9.474 1.00 1.00 N ATOM 1024 CA ASP A 76 51.209 -3.905 10.125 1.00 1.00 C ATOM 1025 C ASP A 76 52.313 -3.462 9.173 1.00 1.00 C ATOM 1026 O ASP A 76 53.458 -3.275 9.582 1.00 1.00 O ATOM 1027 CB ASP A 76 51.475 -5.337 10.589 1.00 1.00 C ATOM 1028 CG ASP A 76 50.595 -5.676 11.788 1.00 1.00 C ATOM 1029 OD1 ASP A 76 50.050 -4.758 12.378 1.00 1.00 O ATOM 1030 OD2 ASP A 76 50.478 -6.850 12.098 1.00 1.00 O ATOM 0 H ASP A 76 49.487 -4.743 9.272 1.00 1.00 H new ATOM 0 HA ASP A 76 51.203 -3.235 10.985 1.00 1.00 H new ATOM 0 HB2 ASP A 76 51.276 -6.033 9.775 1.00 1.00 H new ATOM 0 HB3 ASP A 76 52.526 -5.451 10.856 1.00 1.00 H new ATOM 1035 N SER A 77 51.962 -3.288 7.905 1.00 1.00 N ATOM 1036 CA SER A 77 52.933 -2.857 6.908 1.00 1.00 C ATOM 1037 C SER A 77 53.275 -1.386 7.109 1.00 1.00 C ATOM 1038 O SER A 77 53.809 -0.734 6.212 1.00 1.00 O ATOM 1039 CB SER A 77 52.377 -3.064 5.503 1.00 1.00 C ATOM 1040 OG SER A 77 51.499 -1.994 5.188 1.00 1.00 O ATOM 0 H SER A 77 51.019 -3.437 7.545 1.00 1.00 H new ATOM 0 HA SER A 77 53.837 -3.455 7.026 1.00 1.00 H new ATOM 0 HB2 SER A 77 53.191 -3.108 4.779 1.00 1.00 H new ATOM 0 HB3 SER A 77 51.847 -4.015 5.445 1.00 1.00 H new ATOM 0 HG SER A 77 50.574 -2.269 5.359 1.00 1.00 H new ATOM 1046 N LEU A 78 52.952 -0.875 8.295 1.00 1.00 N ATOM 1047 CA LEU A 78 53.215 0.510 8.631 1.00 1.00 C ATOM 1048 C LEU A 78 52.505 1.434 7.655 1.00 1.00 C ATOM 1049 O LEU A 78 53.125 2.295 7.030 1.00 1.00 O ATOM 1050 CB LEU A 78 54.725 0.770 8.612 1.00 1.00 C ATOM 1051 CG LEU A 78 55.447 -0.129 9.661 1.00 1.00 C ATOM 1052 CD1 LEU A 78 56.241 -1.243 8.960 1.00 1.00 C ATOM 1053 CD2 LEU A 78 56.424 0.715 10.500 1.00 1.00 C ATOM 0 H LEU A 78 52.505 -1.409 9.040 1.00 1.00 H new ATOM 0 HA LEU A 78 52.834 0.711 9.632 1.00 1.00 H new ATOM 0 HB2 LEU A 78 55.122 0.569 7.617 1.00 1.00 H new ATOM 0 HB3 LEU A 78 54.922 1.820 8.827 1.00 1.00 H new ATOM 0 HG LEU A 78 54.687 -0.571 10.306 1.00 1.00 H new ATOM 0 HD11 LEU A 78 56.739 -1.861 9.708 1.00 1.00 H new ATOM 0 HD12 LEU A 78 55.561 -1.860 8.373 1.00 1.00 H new ATOM 0 HD13 LEU A 78 56.987 -0.799 8.301 1.00 1.00 H new ATOM 0 HD21 LEU A 78 56.923 0.077 11.229 1.00 1.00 H new ATOM 0 HD22 LEU A 78 57.168 1.168 9.845 1.00 1.00 H new ATOM 0 HD23 LEU A 78 55.874 1.499 11.020 1.00 1.00 H new ATOM 1065 N LYS A 79 51.194 1.245 7.535 1.00 1.00 N ATOM 1066 CA LYS A 79 50.387 2.061 6.639 1.00 1.00 C ATOM 1067 C LYS A 79 50.940 2.012 5.218 1.00 1.00 C ATOM 1068 O LYS A 79 51.218 3.067 4.676 1.00 1.00 O ATOM 1069 CB LYS A 79 50.370 3.508 7.132 1.00 1.00 C ATOM 1070 CG LYS A 79 49.638 3.584 8.475 1.00 1.00 C ATOM 1071 CD LYS A 79 49.638 5.032 8.968 1.00 1.00 C ATOM 1072 CE LYS A 79 48.990 5.103 10.353 1.00 1.00 C ATOM 1073 NZ LYS A 79 47.583 4.617 10.269 1.00 1.00 N ATOM 1074 OXT LYS A 79 51.079 0.918 4.696 1.00 1.00 O ATOM 0 H LYS A 79 50.670 0.535 8.047 1.00 1.00 H new ATOM 0 HA LYS A 79 49.372 1.664 6.632 1.00 1.00 H new ATOM 0 HB2 LYS A 79 51.390 3.878 7.241 1.00 1.00 H new ATOM 0 HB3 LYS A 79 49.875 4.147 6.400 1.00 1.00 H new ATOM 0 HG2 LYS A 79 48.615 3.225 8.366 1.00 1.00 H new ATOM 0 HG3 LYS A 79 50.126 2.939 9.206 1.00 1.00 H new ATOM 0 HD2 LYS A 79 50.659 5.411 9.013 1.00 1.00 H new ATOM 0 HD3 LYS A 79 49.093 5.665 8.268 1.00 1.00 H new ATOM 0 HE2 LYS A 79 49.554 4.496 11.062 1.00 1.00 H new ATOM 0 HE3 LYS A 79 49.011 6.128 10.724 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 47.054 4.939 11.104 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 47.136 4.995 9.409 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 47.576 3.578 10.235 1.00 1.00 H new TER 1088 LYS A 79