USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 277 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 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00396 X(o=-0.004,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0425) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 79:sc= 0.0311 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.9) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 1.17 (180deg=1.13) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 37 29.909 32.225 16.341 1.00 20.00 N ATOM 2 CA LEU A 37 29.686 32.085 14.891 1.00 20.00 C ATOM 3 C LEU A 37 28.222 31.760 14.597 1.00 20.00 C ATOM 4 O LEU A 37 27.498 32.627 14.111 1.00 20.00 O ATOM 5 CB LEU A 37 30.683 31.074 14.283 1.00 20.00 C ATOM 6 CG LEU A 37 30.577 30.934 12.754 1.00 20.00 C ATOM 7 CD1 LEU A 37 30.996 32.224 12.034 1.00 20.00 C ATOM 8 CD2 LEU A 37 31.452 29.764 12.280 1.00 20.00 C ATOM 0 HA LEU A 37 29.885 33.038 14.400 1.00 20.00 H new ATOM 0 HB2 LEU A 37 31.697 31.380 14.540 1.00 20.00 H new ATOM 0 HB3 LEU A 37 30.519 30.098 14.739 1.00 20.00 H new ATOM 0 HG LEU A 37 29.533 30.740 12.507 1.00 20.00 H new ATOM 0 HD11 LEU A 37 30.907 32.085 10.957 1.00 20.00 H new ATOM 0 HD12 LEU A 37 30.349 33.043 12.348 1.00 20.00 H new ATOM 0 HD13 LEU A 37 32.030 32.462 12.285 1.00 20.00 H new ATOM 0 HD21 LEU A 37 31.375 29.667 11.197 1.00 20.00 H new ATOM 0 HD22 LEU A 37 32.490 29.951 12.555 1.00 20.00 H new ATOM 0 HD23 LEU A 37 31.113 28.842 12.752 1.00 20.00 H new ATOM 20 N THR A 38 27.800 30.526 14.904 1.00 20.00 N ATOM 21 CA THR A 38 26.464 30.002 14.593 1.00 20.00 C ATOM 22 C THR A 38 25.632 29.766 15.863 1.00 20.00 C ATOM 23 O THR A 38 24.407 29.866 15.801 1.00 20.00 O ATOM 24 CB THR A 38 26.601 28.736 13.727 1.00 20.00 C ATOM 25 OG1 THR A 38 27.339 29.039 12.563 1.00 20.00 O ATOM 26 CG2 THR A 38 25.254 28.154 13.281 1.00 20.00 C ATOM 0 H THR A 38 28.392 29.849 15.386 1.00 20.00 H new ATOM 0 HA THR A 38 25.913 30.748 14.020 1.00 20.00 H new ATOM 0 HB THR A 38 27.102 27.995 14.351 1.00 20.00 H new ATOM 0 HG1 THR A 38 27.428 28.233 12.013 1.00 20.00 H new ATOM 0 HG21 THR A 38 25.425 27.264 12.675 1.00 20.00 H new ATOM 0 HG22 THR A 38 24.664 27.888 14.158 1.00 20.00 H new ATOM 0 HG23 THR A 38 24.714 28.896 12.692 1.00 20.00 H new ATOM 34 N GLY A 39 26.277 29.530 17.016 1.00 20.00 N ATOM 35 CA GLY A 39 25.641 29.528 18.333 1.00 20.00 C ATOM 36 C GLY A 39 26.481 28.873 19.434 1.00 20.00 C ATOM 37 O GLY A 39 26.362 29.275 20.591 1.00 20.00 O ATOM 0 H GLY A 39 27.277 29.331 17.054 1.00 20.00 H new ATOM 0 HA2 GLY A 39 25.423 30.557 18.621 1.00 20.00 H new ATOM 0 HA3 GLY A 39 24.686 29.008 18.262 1.00 20.00 H new ATOM 41 N CYS A 40 27.315 27.880 19.084 1.00 20.00 N ATOM 42 CA CYS A 40 28.157 27.118 20.006 1.00 20.00 C ATOM 43 C CYS A 40 29.513 26.769 19.363 1.00 20.00 C ATOM 44 O CYS A 40 29.737 27.033 18.180 1.00 20.00 O ATOM 45 CB CYS A 40 27.409 25.854 20.453 1.00 20.00 C ATOM 46 SG CYS A 40 26.091 26.122 21.673 1.00 20.00 S ATOM 0 H CYS A 40 27.421 27.579 18.115 1.00 20.00 H new ATOM 0 HA CYS A 40 28.369 27.731 20.882 1.00 20.00 H new ATOM 0 HB2 CYS A 40 26.976 25.378 19.573 1.00 20.00 H new ATOM 0 HB3 CYS A 40 28.131 25.153 20.871 1.00 20.00 H new ATOM 51 N LYS A 41 30.418 26.167 20.152 1.00 20.00 N ATOM 52 CA LYS A 41 31.770 25.760 19.746 1.00 20.00 C ATOM 53 C LYS A 41 32.132 24.335 20.207 1.00 20.00 C ATOM 54 O LYS A 41 33.139 23.794 19.751 1.00 20.00 O ATOM 55 CB LYS A 41 32.799 26.754 20.312 1.00 20.00 C ATOM 56 CG LYS A 41 32.750 28.141 19.660 1.00 20.00 C ATOM 57 CD LYS A 41 33.636 29.159 20.394 1.00 20.00 C ATOM 58 CE LYS A 41 35.132 28.836 20.345 1.00 20.00 C ATOM 59 NZ LYS A 41 35.693 28.970 18.994 1.00 20.00 N ATOM 0 H LYS A 41 30.219 25.943 21.127 1.00 20.00 H new ATOM 0 HA LYS A 41 31.789 25.762 18.656 1.00 20.00 H new ATOM 0 HB2 LYS A 41 32.633 26.862 21.384 1.00 20.00 H new ATOM 0 HB3 LYS A 41 33.799 26.339 20.184 1.00 20.00 H new ATOM 0 HG2 LYS A 41 33.072 28.064 18.621 1.00 20.00 H new ATOM 0 HG3 LYS A 41 31.721 28.499 19.649 1.00 20.00 H new ATOM 0 HD2 LYS A 41 33.474 30.145 19.960 1.00 20.00 H new ATOM 0 HD3 LYS A 41 33.321 29.214 21.436 1.00 20.00 H new ATOM 0 HE2 LYS A 41 35.666 29.500 21.024 1.00 20.00 H new ATOM 0 HE3 LYS A 41 35.293 27.819 20.702 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 36.707 28.741 19.015 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 35.204 28.318 18.349 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 35.566 29.947 18.661 1.00 20.00 H new ATOM 73 N GLY A 42 31.328 23.735 21.096 1.00 20.00 N ATOM 74 CA GLY A 42 31.493 22.393 21.638 1.00 20.00 C ATOM 75 C GLY A 42 32.022 22.374 23.079 1.00 20.00 C ATOM 76 O GLY A 42 31.778 21.395 23.782 1.00 20.00 O ATOM 0 H GLY A 42 30.504 24.204 21.472 1.00 20.00 H new ATOM 0 HA2 GLY A 42 30.534 21.876 21.605 1.00 20.00 H new ATOM 0 HA3 GLY A 42 32.178 21.834 21.001 1.00 20.00 H new ATOM 80 N LYS A 43 32.714 23.438 23.527 1.00 20.00 N ATOM 81 CA LYS A 43 33.198 23.608 24.900 1.00 20.00 C ATOM 82 C LYS A 43 32.945 25.019 25.454 1.00 20.00 C ATOM 83 O LYS A 43 32.906 25.178 26.674 1.00 20.00 O ATOM 84 CB LYS A 43 34.698 23.279 25.008 1.00 20.00 C ATOM 85 CG LYS A 43 35.102 21.825 24.735 1.00 20.00 C ATOM 86 CD LYS A 43 35.508 21.555 23.272 1.00 20.00 C ATOM 87 CE LYS A 43 35.992 20.115 23.140 1.00 20.00 C ATOM 88 NZ LYS A 43 36.401 19.802 21.770 1.00 20.00 N ATOM 0 H LYS A 43 32.956 24.223 22.922 1.00 20.00 H new ATOM 0 HA LYS A 43 32.625 22.905 25.505 1.00 20.00 H new ATOM 0 HB2 LYS A 43 35.239 23.920 24.311 1.00 20.00 H new ATOM 0 HB3 LYS A 43 35.034 23.544 26.011 1.00 20.00 H new ATOM 0 HG2 LYS A 43 35.934 21.560 25.388 1.00 20.00 H new ATOM 0 HG3 LYS A 43 34.270 21.171 24.998 1.00 20.00 H new ATOM 0 HD2 LYS A 43 34.660 21.728 22.610 1.00 20.00 H new ATOM 0 HD3 LYS A 43 36.295 22.245 22.968 1.00 20.00 H new ATOM 0 HE2 LYS A 43 36.831 19.950 23.816 1.00 20.00 H new ATOM 0 HE3 LYS A 43 35.197 19.435 23.446 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 36.724 18.814 21.721 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 35.594 19.935 21.128 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 37.177 20.434 21.486 1.00 20.00 H new ATOM 102 N GLY A 44 32.731 26.024 24.591 1.00 20.00 N ATOM 103 CA GLY A 44 32.431 27.404 24.977 1.00 20.00 C ATOM 104 C GLY A 44 31.005 27.605 25.508 1.00 20.00 C ATOM 105 O GLY A 44 30.680 28.695 25.975 1.00 20.00 O ATOM 0 H GLY A 44 32.764 25.892 23.580 1.00 20.00 H new ATOM 0 HA2 GLY A 44 33.141 27.720 25.742 1.00 20.00 H new ATOM 0 HA3 GLY A 44 32.582 28.053 24.115 1.00 20.00 H new ATOM 109 N GLY A 45 30.176 26.557 25.448 1.00 20.00 N ATOM 110 CA GLY A 45 28.811 26.485 25.950 1.00 20.00 C ATOM 111 C GLY A 45 28.555 25.129 26.614 1.00 20.00 C ATOM 112 O GLY A 45 29.483 24.337 26.799 1.00 20.00 O ATOM 0 H GLY A 45 30.467 25.680 25.017 1.00 20.00 H new ATOM 0 HA2 GLY A 45 28.639 27.287 26.668 1.00 20.00 H new ATOM 0 HA3 GLY A 45 28.108 26.634 25.131 1.00 20.00 H new ATOM 116 N GLU A 46 27.299 24.883 27.004 1.00 20.00 N ATOM 117 CA GLU A 46 26.911 23.734 27.820 1.00 20.00 C ATOM 118 C GLU A 46 25.733 22.977 27.208 1.00 20.00 C ATOM 119 O GLU A 46 24.797 23.572 26.668 1.00 20.00 O ATOM 120 CB GLU A 46 26.562 24.196 29.245 1.00 20.00 C ATOM 121 CG GLU A 46 27.806 24.632 30.031 1.00 20.00 C ATOM 122 CD GLU A 46 27.506 25.071 31.469 1.00 20.00 C ATOM 123 OE1 GLU A 46 28.427 25.657 32.079 1.00 20.00 O ATOM 124 OE2 GLU A 46 26.387 24.804 31.965 1.00 20.00 O ATOM 0 H GLU A 46 26.515 25.487 26.757 1.00 20.00 H new ATOM 0 HA GLU A 46 27.759 23.050 27.857 1.00 20.00 H new ATOM 0 HB2 GLU A 46 25.857 25.025 29.194 1.00 20.00 H new ATOM 0 HB3 GLU A 46 26.063 23.386 29.777 1.00 20.00 H new ATOM 0 HG2 GLU A 46 28.518 23.807 30.054 1.00 20.00 H new ATOM 0 HG3 GLU A 46 28.288 25.455 29.503 1.00 20.00 H new ATOM 131 N CYS A 47 25.794 21.646 27.352 1.00 20.00 N ATOM 132 CA CYS A 47 24.764 20.696 26.968 1.00 20.00 C ATOM 133 C CYS A 47 23.746 20.564 28.105 1.00 20.00 C ATOM 134 O CYS A 47 23.911 19.756 29.019 1.00 20.00 O ATOM 135 CB CYS A 47 25.409 19.354 26.610 1.00 20.00 C ATOM 136 SG CYS A 47 26.397 19.392 25.088 1.00 20.00 S ATOM 0 H CYS A 47 26.609 21.189 27.761 1.00 20.00 H new ATOM 0 HA CYS A 47 24.232 21.049 26.085 1.00 20.00 H new ATOM 0 HB2 CYS A 47 26.045 19.037 27.436 1.00 20.00 H new ATOM 0 HB3 CYS A 47 24.626 18.603 26.504 1.00 20.00 H new ATOM 141 N ASN A 48 22.698 21.390 28.035 1.00 20.00 N ATOM 142 CA ASN A 48 21.565 21.422 28.957 1.00 20.00 C ATOM 143 C ASN A 48 20.398 20.609 28.371 1.00 20.00 C ATOM 144 O ASN A 48 20.375 20.386 27.162 1.00 20.00 O ATOM 145 CB ASN A 48 21.172 22.893 29.165 1.00 20.00 C ATOM 146 CG ASN A 48 22.210 23.641 29.996 1.00 20.00 C ATOM 147 OD1 ASN A 48 22.214 23.547 31.220 1.00 20.00 O ATOM 148 ND2 ASN A 48 23.101 24.384 29.344 1.00 20.00 N ATOM 0 H ASN A 48 22.615 22.088 27.296 1.00 20.00 H new ATOM 0 HA ASN A 48 21.827 20.977 29.917 1.00 20.00 H new ATOM 0 HB2 ASN A 48 21.061 23.381 28.197 1.00 20.00 H new ATOM 0 HB3 ASN A 48 20.203 22.944 29.661 1.00 20.00 H new ATOM 0 HD21 ASN A 48 23.815 24.896 29.862 1.00 20.00 H new ATOM 0 HD22 ASN A 48 23.070 24.441 28.326 1.00 20.00 H new ATOM 155 N PRO A 49 19.403 20.186 29.177 1.00 20.00 N ATOM 156 CA PRO A 49 18.265 19.416 28.679 1.00 20.00 C ATOM 157 C PRO A 49 17.400 20.227 27.704 1.00 20.00 C ATOM 158 O PRO A 49 17.473 21.455 27.650 1.00 20.00 O ATOM 159 CB PRO A 49 17.482 18.977 29.920 1.00 20.00 C ATOM 160 CG PRO A 49 17.861 20.016 30.971 1.00 20.00 C ATOM 161 CD PRO A 49 19.307 20.357 30.620 1.00 20.00 C ATOM 0 HA PRO A 49 18.597 18.554 28.100 1.00 20.00 H new ATOM 0 HB2 PRO A 49 16.408 18.969 29.734 1.00 20.00 H new ATOM 0 HB3 PRO A 49 17.759 17.970 30.233 1.00 20.00 H new ATOM 0 HG2 PRO A 49 17.217 20.894 30.920 1.00 20.00 H new ATOM 0 HG3 PRO A 49 17.776 19.616 31.981 1.00 20.00 H new ATOM 0 HD2 PRO A 49 19.552 21.378 30.912 1.00 20.00 H new ATOM 0 HD3 PRO A 49 20.004 19.700 31.141 1.00 20.00 H new ATOM 169 N LEU A 50 16.545 19.521 26.956 1.00 20.00 N ATOM 170 CA LEU A 50 15.535 20.103 26.067 1.00 20.00 C ATOM 171 C LEU A 50 14.519 20.943 26.860 1.00 20.00 C ATOM 172 O LEU A 50 14.026 21.953 26.358 1.00 20.00 O ATOM 173 CB LEU A 50 14.822 18.967 25.321 1.00 20.00 C ATOM 174 CG LEU A 50 15.760 18.125 24.434 1.00 20.00 C ATOM 175 CD1 LEU A 50 15.109 16.764 24.195 1.00 20.00 C ATOM 176 CD2 LEU A 50 16.068 18.810 23.102 1.00 20.00 C ATOM 0 H LEU A 50 16.537 18.501 26.953 1.00 20.00 H new ATOM 0 HA LEU A 50 16.024 20.766 25.354 1.00 20.00 H new ATOM 0 HB2 LEU A 50 14.340 18.313 26.048 1.00 20.00 H new ATOM 0 HB3 LEU A 50 14.033 19.391 24.700 1.00 20.00 H new ATOM 0 HG LEU A 50 16.712 18.007 24.951 1.00 20.00 H new ATOM 0 HD11 LEU A 50 15.760 16.154 23.568 1.00 20.00 H new ATOM 0 HD12 LEU A 50 14.952 16.263 25.150 1.00 20.00 H new ATOM 0 HD13 LEU A 50 14.150 16.902 23.696 1.00 20.00 H new ATOM 0 HD21 LEU A 50 16.732 18.178 22.513 1.00 20.00 H new ATOM 0 HD22 LEU A 50 15.140 18.972 22.553 1.00 20.00 H new ATOM 0 HD23 LEU A 50 16.551 19.769 23.289 1.00 20.00 H new ATOM 188 N ASP A 51 14.268 20.542 28.116 1.00 20.00 N ATOM 189 CA ASP A 51 13.451 21.224 29.123 1.00 20.00 C ATOM 190 C ASP A 51 13.954 22.632 29.500 1.00 20.00 C ATOM 191 O ASP A 51 13.185 23.410 30.068 1.00 20.00 O ATOM 192 CB ASP A 51 13.416 20.358 30.397 1.00 20.00 C ATOM 193 CG ASP A 51 12.866 18.951 30.160 1.00 20.00 C ATOM 194 OD1 ASP A 51 13.670 18.071 29.779 1.00 20.00 O ATOM 195 OD2 ASP A 51 11.647 18.769 30.370 1.00 20.00 O ATOM 0 H ASP A 51 14.659 19.672 28.476 1.00 20.00 H new ATOM 0 HA ASP A 51 12.463 21.355 28.682 1.00 20.00 H new ATOM 0 HB2 ASP A 51 14.424 20.282 30.804 1.00 20.00 H new ATOM 0 HB3 ASP A 51 12.805 20.857 31.150 1.00 20.00 H new ATOM 200 N ARG A 52 15.221 22.965 29.196 1.00 20.00 N ATOM 201 CA ARG A 52 15.818 24.278 29.436 1.00 20.00 C ATOM 202 C ARG A 52 15.122 25.345 28.584 1.00 20.00 C ATOM 203 O ARG A 52 14.884 25.121 27.398 1.00 20.00 O ATOM 204 CB ARG A 52 17.312 24.215 29.106 1.00 20.00 C ATOM 205 CG ARG A 52 18.100 25.411 29.645 1.00 20.00 C ATOM 206 CD ARG A 52 18.017 25.512 31.176 1.00 20.00 C ATOM 207 NE ARG A 52 16.956 26.411 31.651 1.00 20.00 N ATOM 208 CZ ARG A 52 16.966 27.750 31.618 1.00 20.00 C ATOM 209 NH1 ARG A 52 17.969 28.438 31.074 1.00 20.00 N ATOM 210 NH2 ARG A 52 15.944 28.428 32.132 1.00 20.00 N ATOM 0 H ARG A 52 15.870 22.306 28.765 1.00 20.00 H new ATOM 0 HA ARG A 52 15.691 24.550 30.484 1.00 20.00 H new ATOM 0 HB2 ARG A 52 17.730 23.297 29.519 1.00 20.00 H new ATOM 0 HB3 ARG A 52 17.437 24.164 28.024 1.00 20.00 H new ATOM 0 HG2 ARG A 52 19.144 25.323 29.344 1.00 20.00 H new ATOM 0 HG3 ARG A 52 17.716 26.329 29.200 1.00 20.00 H new ATOM 0 HD2 ARG A 52 17.850 24.517 31.589 1.00 20.00 H new ATOM 0 HD3 ARG A 52 18.976 25.860 31.561 1.00 20.00 H new ATOM 0 HE ARG A 52 16.126 25.970 32.047 1.00 20.00 H new ATOM 0 HH11 ARG A 52 18.763 27.945 30.665 1.00 20.00 H new ATOM 0 HH12 ARG A 52 17.943 29.458 31.067 1.00 20.00 H new ATOM 0 HH21 ARG A 52 15.158 27.928 32.548 1.00 20.00 H new ATOM 0 HH22 ARG A 52 15.946 29.448 32.110 1.00 20.00 H new ATOM 224 N GLN A 53 14.838 26.515 29.168 1.00 20.00 N ATOM 225 CA GLN A 53 14.423 27.701 28.422 1.00 20.00 C ATOM 226 C GLN A 53 15.670 28.405 27.867 1.00 20.00 C ATOM 227 O GLN A 53 16.154 29.385 28.438 1.00 20.00 O ATOM 228 CB GLN A 53 13.556 28.637 29.279 1.00 20.00 C ATOM 229 CG GLN A 53 12.211 28.002 29.666 1.00 20.00 C ATOM 230 CD GLN A 53 11.275 29.027 30.310 1.00 20.00 C ATOM 231 OE1 GLN A 53 11.654 29.733 31.241 1.00 20.00 O ATOM 232 NE2 GLN A 53 10.039 29.127 29.821 1.00 20.00 N ATOM 0 H GLN A 53 14.891 26.663 30.176 1.00 20.00 H new ATOM 0 HA GLN A 53 13.793 27.398 27.585 1.00 20.00 H new ATOM 0 HB2 GLN A 53 14.101 28.905 30.184 1.00 20.00 H new ATOM 0 HB3 GLN A 53 13.374 29.561 28.731 1.00 20.00 H new ATOM 0 HG2 GLN A 53 11.737 27.581 28.779 1.00 20.00 H new ATOM 0 HG3 GLN A 53 12.382 27.178 30.358 1.00 20.00 H new ATOM 0 HE21 GLN A 53 9.747 28.530 29.047 1.00 20.00 H new ATOM 0 HE22 GLN A 53 9.385 29.801 30.220 1.00 20.00 H new ATOM 241 N CYS A 54 16.191 27.881 26.750 1.00 20.00 N ATOM 242 CA CYS A 54 17.296 28.457 25.994 1.00 20.00 C ATOM 243 C CYS A 54 17.180 28.121 24.504 1.00 20.00 C ATOM 244 O CYS A 54 16.324 27.336 24.091 1.00 20.00 O ATOM 245 CB CYS A 54 18.636 27.970 26.563 1.00 20.00 C ATOM 246 SG CYS A 54 19.116 26.282 26.102 1.00 20.00 S ATOM 0 H CYS A 54 15.839 27.016 26.339 1.00 20.00 H new ATOM 0 HA CYS A 54 17.251 29.542 26.091 1.00 20.00 H new ATOM 0 HB2 CYS A 54 19.419 28.654 26.236 1.00 20.00 H new ATOM 0 HB3 CYS A 54 18.593 28.032 27.650 1.00 20.00 H new ATOM 251 N LYS A 55 18.078 28.708 23.704 1.00 20.00 N ATOM 252 CA LYS A 55 18.169 28.481 22.265 1.00 20.00 C ATOM 253 C LYS A 55 18.652 27.052 21.953 1.00 20.00 C ATOM 254 O LYS A 55 19.166 26.351 22.826 1.00 20.00 O ATOM 255 CB LYS A 55 19.086 29.551 21.644 1.00 20.00 C ATOM 256 CG LYS A 55 18.593 29.976 20.254 1.00 20.00 C ATOM 257 CD LYS A 55 19.436 31.131 19.699 1.00 20.00 C ATOM 258 CE LYS A 55 18.888 31.648 18.365 1.00 20.00 C ATOM 259 NZ LYS A 55 17.605 32.364 18.532 1.00 20.00 N ATOM 0 H LYS A 55 18.775 29.367 24.051 1.00 20.00 H new ATOM 0 HA LYS A 55 17.178 28.572 21.820 1.00 20.00 H new ATOM 0 HB2 LYS A 55 19.126 30.421 22.299 1.00 20.00 H new ATOM 0 HB3 LYS A 55 20.101 29.162 21.568 1.00 20.00 H new ATOM 0 HG2 LYS A 55 18.640 29.127 19.572 1.00 20.00 H new ATOM 0 HG3 LYS A 55 17.548 30.280 20.312 1.00 20.00 H new ATOM 0 HD2 LYS A 55 19.457 31.946 20.423 1.00 20.00 H new ATOM 0 HD3 LYS A 55 20.465 30.797 19.564 1.00 20.00 H new ATOM 0 HE2 LYS A 55 19.618 32.315 17.907 1.00 20.00 H new ATOM 0 HE3 LYS A 55 18.749 30.810 17.681 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 17.346 32.826 17.637 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 16.862 31.687 18.799 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 17.703 33.083 19.277 1.00 20.00 H new ATOM 273 N GLU A 56 18.485 26.630 20.695 1.00 20.00 N ATOM 274 CA GLU A 56 18.763 25.275 20.228 1.00 20.00 C ATOM 275 C GLU A 56 19.474 25.317 18.866 1.00 20.00 C ATOM 276 O GLU A 56 19.349 26.286 18.114 1.00 20.00 O ATOM 277 CB GLU A 56 17.424 24.517 20.196 1.00 20.00 C ATOM 278 CG GLU A 56 17.529 23.033 19.815 1.00 20.00 C ATOM 279 CD GLU A 56 16.208 22.294 20.047 1.00 20.00 C ATOM 280 OE1 GLU A 56 16.227 21.292 20.796 1.00 20.00 O ATOM 281 OE2 GLU A 56 15.190 22.719 19.458 1.00 20.00 O ATOM 0 H GLU A 56 18.142 27.243 19.955 1.00 20.00 H new ATOM 0 HA GLU A 56 19.444 24.748 20.896 1.00 20.00 H new ATOM 0 HB2 GLU A 56 16.957 24.593 21.178 1.00 20.00 H new ATOM 0 HB3 GLU A 56 16.760 25.013 19.488 1.00 20.00 H new ATOM 0 HG2 GLU A 56 17.816 22.946 18.767 1.00 20.00 H new ATOM 0 HG3 GLU A 56 18.318 22.562 20.401 1.00 20.00 H new ATOM 288 N LEU A 57 20.218 24.248 18.554 1.00 20.00 N ATOM 289 CA LEU A 57 20.991 24.056 17.328 1.00 20.00 C ATOM 290 C LEU A 57 20.602 22.732 16.655 1.00 20.00 C ATOM 291 O LEU A 57 19.660 22.061 17.078 1.00 20.00 O ATOM 292 CB LEU A 57 22.502 24.149 17.653 1.00 20.00 C ATOM 293 CG LEU A 57 22.973 25.578 17.995 1.00 20.00 C ATOM 294 CD1 LEU A 57 24.444 25.571 18.401 1.00 20.00 C ATOM 295 CD2 LEU A 57 22.807 26.574 16.848 1.00 20.00 C ATOM 0 H LEU A 57 20.299 23.452 19.187 1.00 20.00 H new ATOM 0 HA LEU A 57 20.763 24.845 16.611 1.00 20.00 H new ATOM 0 HB2 LEU A 57 22.726 23.491 18.493 1.00 20.00 H new ATOM 0 HB3 LEU A 57 23.072 23.782 16.800 1.00 20.00 H new ATOM 0 HG LEU A 57 22.334 25.902 18.816 1.00 20.00 H new ATOM 0 HD11 LEU A 57 24.761 26.586 18.639 1.00 20.00 H new ATOM 0 HD12 LEU A 57 24.577 24.935 19.276 1.00 20.00 H new ATOM 0 HD13 LEU A 57 25.047 25.187 17.578 1.00 20.00 H new ATOM 0 HD21 LEU A 57 23.160 27.556 17.165 1.00 20.00 H new ATOM 0 HD22 LEU A 57 23.388 26.239 15.989 1.00 20.00 H new ATOM 0 HD23 LEU A 57 21.755 26.638 16.571 1.00 20.00 H new ATOM 307 N GLN A 58 21.300 22.391 15.568 1.00 20.00 N ATOM 308 CA GLN A 58 21.094 21.171 14.794 1.00 20.00 C ATOM 309 C GLN A 58 22.381 20.360 14.643 1.00 20.00 C ATOM 310 O GLN A 58 22.357 19.138 14.780 1.00 20.00 O ATOM 311 CB GLN A 58 20.422 21.519 13.451 1.00 20.00 C ATOM 312 CG GLN A 58 21.238 22.433 12.515 1.00 20.00 C ATOM 313 CD GLN A 58 20.503 22.803 11.220 1.00 20.00 C ATOM 314 OE1 GLN A 58 19.290 22.636 11.095 1.00 20.00 O ATOM 315 NE2 GLN A 58 21.255 23.308 10.243 1.00 20.00 N ATOM 0 H GLN A 58 22.046 22.977 15.194 1.00 20.00 H new ATOM 0 HA GLN A 58 20.416 20.513 15.338 1.00 20.00 H new ATOM 0 HB2 GLN A 58 20.204 20.591 12.923 1.00 20.00 H new ATOM 0 HB3 GLN A 58 19.466 22.001 13.657 1.00 20.00 H new ATOM 0 HG2 GLN A 58 21.497 23.347 13.049 1.00 20.00 H new ATOM 0 HG3 GLN A 58 22.174 21.936 12.262 1.00 20.00 H new ATOM 0 HE21 GLN A 58 22.258 23.432 10.383 1.00 20.00 H new ATOM 0 HE22 GLN A 58 20.828 23.571 9.355 1.00 20.00 H new ATOM 324 N ALA A 59 23.516 21.032 14.435 1.00 20.00 N ATOM 325 CA ALA A 59 24.842 20.423 14.419 1.00 20.00 C ATOM 326 C ALA A 59 25.313 20.104 15.847 1.00 20.00 C ATOM 327 O ALA A 59 25.805 19.003 16.094 1.00 20.00 O ATOM 328 CB ALA A 59 25.835 21.354 13.720 1.00 20.00 C ATOM 0 H ALA A 59 23.535 22.038 14.269 1.00 20.00 H new ATOM 0 HA ALA A 59 24.789 19.486 13.865 1.00 20.00 H new ATOM 0 HB1 ALA A 59 26.823 20.893 13.712 1.00 20.00 H new ATOM 0 HB2 ALA A 59 25.509 21.531 12.695 1.00 20.00 H new ATOM 0 HB3 ALA A 59 25.882 22.303 14.254 1.00 20.00 H new ATOM 334 N GLU A 60 25.174 21.056 16.782 1.00 20.00 N ATOM 335 CA GLU A 60 25.696 20.934 18.138 1.00 20.00 C ATOM 336 C GLU A 60 24.716 20.244 19.086 1.00 20.00 C ATOM 337 O GLU A 60 25.131 19.595 20.039 1.00 20.00 O ATOM 338 CB GLU A 60 26.017 22.333 18.670 1.00 20.00 C ATOM 339 CG GLU A 60 27.048 22.299 19.813 1.00 20.00 C ATOM 340 CD GLU A 60 28.473 22.118 19.296 1.00 20.00 C ATOM 341 OE1 GLU A 60 29.064 23.139 18.881 1.00 20.00 O ATOM 342 OE2 GLU A 60 28.954 20.964 19.317 1.00 20.00 O ATOM 0 H GLU A 60 24.691 21.937 16.610 1.00 20.00 H new ATOM 0 HA GLU A 60 26.592 20.314 18.095 1.00 20.00 H new ATOM 0 HB2 GLU A 60 26.399 22.950 17.857 1.00 20.00 H new ATOM 0 HB3 GLU A 60 25.100 22.804 19.024 1.00 20.00 H new ATOM 0 HG2 GLU A 60 26.985 23.225 20.385 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.805 21.485 20.496 1.00 20.00 H new ATOM 349 N SER A 61 23.412 20.377 18.830 1.00 20.00 N ATOM 350 CA SER A 61 22.370 19.731 19.616 1.00 20.00 C ATOM 351 C SER A 61 22.437 18.201 19.462 1.00 20.00 C ATOM 352 O SER A 61 22.191 17.484 20.431 1.00 20.00 O ATOM 353 CB SER A 61 21.013 20.278 19.161 1.00 20.00 C ATOM 354 OG SER A 61 19.979 19.834 19.991 1.00 20.00 O ATOM 0 H SER A 61 23.051 20.943 18.062 1.00 20.00 H new ATOM 0 HA SER A 61 22.513 19.950 20.674 1.00 20.00 H new ATOM 0 HB2 SER A 61 21.040 21.368 19.162 1.00 20.00 H new ATOM 0 HB3 SER A 61 20.818 19.965 18.135 1.00 20.00 H new ATOM 0 HG SER A 61 19.126 20.201 19.676 1.00 20.00 H new ATOM 360 N ALA A 62 22.818 17.711 18.268 1.00 20.00 N ATOM 361 CA ALA A 62 23.104 16.308 17.999 1.00 20.00 C ATOM 362 C ALA A 62 24.355 15.813 18.743 1.00 20.00 C ATOM 363 O ALA A 62 24.387 14.655 19.161 1.00 20.00 O ATOM 364 CB ALA A 62 23.261 16.118 16.489 1.00 20.00 C ATOM 0 H ALA A 62 22.936 18.305 17.447 1.00 20.00 H new ATOM 0 HA ALA A 62 22.271 15.710 18.367 1.00 20.00 H new ATOM 0 HB1 ALA A 62 23.476 15.071 16.274 1.00 20.00 H new ATOM 0 HB2 ALA A 62 22.338 16.409 15.988 1.00 20.00 H new ATOM 0 HB3 ALA A 62 24.081 16.738 16.128 1.00 20.00 H new ATOM 370 N SER A 63 25.368 16.677 18.919 1.00 20.00 N ATOM 371 CA SER A 63 26.602 16.364 19.641 1.00 20.00 C ATOM 372 C SER A 63 26.396 16.240 21.153 1.00 20.00 C ATOM 373 O SER A 63 27.116 15.473 21.787 1.00 20.00 O ATOM 374 CB SER A 63 27.662 17.437 19.354 1.00 20.00 C ATOM 375 OG SER A 63 28.000 17.461 17.982 1.00 20.00 O ATOM 0 H SER A 63 25.347 17.629 18.555 1.00 20.00 H new ATOM 0 HA SER A 63 26.938 15.391 19.282 1.00 20.00 H new ATOM 0 HB2 SER A 63 27.286 18.414 19.657 1.00 20.00 H new ATOM 0 HB3 SER A 63 28.554 17.240 19.949 1.00 20.00 H new ATOM 0 HG SER A 63 27.310 17.947 17.484 1.00 20.00 H new ATOM 381 N CYS A 64 25.413 16.951 21.722 1.00 20.00 N ATOM 382 CA CYS A 64 25.087 16.921 23.146 1.00 20.00 C ATOM 383 C CYS A 64 24.426 15.612 23.616 1.00 20.00 C ATOM 384 O CYS A 64 24.345 15.380 24.823 1.00 20.00 O ATOM 385 CB CYS A 64 24.179 18.113 23.475 1.00 20.00 C ATOM 386 SG CYS A 64 25.026 19.708 23.606 1.00 20.00 S ATOM 0 H CYS A 64 24.810 17.577 21.188 1.00 20.00 H new ATOM 0 HA CYS A 64 26.032 16.983 23.685 1.00 20.00 H new ATOM 0 HB2 CYS A 64 23.411 18.189 22.705 1.00 20.00 H new ATOM 0 HB3 CYS A 64 23.668 17.912 24.416 1.00 20.00 H new ATOM 391 N GLY A 65 23.983 14.754 22.686 1.00 20.00 N ATOM 392 CA GLY A 65 23.321 13.483 22.964 1.00 20.00 C ATOM 393 C GLY A 65 21.801 13.630 23.033 1.00 20.00 C ATOM 394 O GLY A 65 21.279 14.725 23.249 1.00 20.00 O ATOM 0 H GLY A 65 24.082 14.937 21.687 1.00 20.00 H new ATOM 0 HA2 GLY A 65 23.580 12.762 22.188 1.00 20.00 H new ATOM 0 HA3 GLY A 65 23.689 13.082 23.908 1.00 20.00 H new ATOM 398 N LYS A 66 21.094 12.513 22.820 1.00 20.00 N ATOM 399 CA LYS A 66 19.642 12.468 22.664 1.00 20.00 C ATOM 400 C LYS A 66 18.960 12.673 24.024 1.00 20.00 C ATOM 401 O LYS A 66 18.912 11.758 24.849 1.00 20.00 O ATOM 402 CB LYS A 66 19.243 11.161 21.950 1.00 20.00 C ATOM 403 CG LYS A 66 17.920 11.256 21.168 1.00 20.00 C ATOM 404 CD LYS A 66 16.639 11.300 22.009 1.00 20.00 C ATOM 405 CE LYS A 66 16.437 9.988 22.768 1.00 20.00 C ATOM 406 NZ LYS A 66 15.119 9.943 23.427 1.00 20.00 N ATOM 0 H LYS A 66 21.531 11.594 22.750 1.00 20.00 H new ATOM 0 HA LYS A 66 19.295 13.285 22.031 1.00 20.00 H new ATOM 0 HB2 LYS A 66 20.040 10.876 21.263 1.00 20.00 H new ATOM 0 HB3 LYS A 66 19.160 10.365 22.690 1.00 20.00 H new ATOM 0 HG2 LYS A 66 17.953 12.151 20.546 1.00 20.00 H new ATOM 0 HG3 LYS A 66 17.858 10.402 20.494 1.00 20.00 H new ATOM 0 HD2 LYS A 66 16.692 12.129 22.715 1.00 20.00 H new ATOM 0 HD3 LYS A 66 15.781 11.486 21.363 1.00 20.00 H new ATOM 0 HE2 LYS A 66 16.529 9.149 22.078 1.00 20.00 H new ATOM 0 HE3 LYS A 66 17.223 9.874 23.515 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 15.014 9.040 23.933 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 15.042 10.730 24.103 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 14.370 10.027 22.711 1.00 20.00 H new ATOM 420 N GLY A 67 18.469 13.899 24.244 1.00 20.00 N ATOM 421 CA GLY A 67 17.892 14.391 25.493 1.00 20.00 C ATOM 422 C GLY A 67 18.431 15.767 25.906 1.00 20.00 C ATOM 423 O GLY A 67 17.897 16.358 26.845 1.00 20.00 O ATOM 0 H GLY A 67 18.465 14.610 23.513 1.00 20.00 H new ATOM 0 HA2 GLY A 67 16.809 14.449 25.387 1.00 20.00 H new ATOM 0 HA3 GLY A 67 18.097 13.674 26.288 1.00 20.00 H new ATOM 427 N GLN A 68 19.466 16.280 25.220 1.00 20.00 N ATOM 428 CA GLN A 68 20.109 17.564 25.490 1.00 20.00 C ATOM 429 C GLN A 68 20.336 18.348 24.188 1.00 20.00 C ATOM 430 O GLN A 68 20.360 17.784 23.094 1.00 20.00 O ATOM 431 CB GLN A 68 21.458 17.359 26.217 1.00 20.00 C ATOM 432 CG GLN A 68 21.379 16.820 27.654 1.00 20.00 C ATOM 433 CD GLN A 68 21.017 15.337 27.767 1.00 20.00 C ATOM 434 OE1 GLN A 68 21.457 14.505 26.977 1.00 20.00 O ATOM 435 NE2 GLN A 68 20.217 14.986 28.772 1.00 20.00 N ATOM 0 H GLN A 68 19.889 15.788 24.433 1.00 20.00 H new ATOM 0 HA GLN A 68 19.444 18.139 26.134 1.00 20.00 H new ATOM 0 HB2 GLN A 68 22.065 16.672 25.626 1.00 20.00 H new ATOM 0 HB3 GLN A 68 21.985 18.313 26.237 1.00 20.00 H new ATOM 0 HG2 GLN A 68 22.341 16.982 28.141 1.00 20.00 H new ATOM 0 HG3 GLN A 68 20.640 17.402 28.205 1.00 20.00 H new ATOM 0 HE21 GLN A 68 19.864 15.695 29.415 1.00 20.00 H new ATOM 0 HE22 GLN A 68 19.957 14.008 28.899 1.00 20.00 H new ATOM 444 N LYS A 69 20.542 19.661 24.342 1.00 20.00 N ATOM 445 CA LYS A 69 20.816 20.652 23.306 1.00 20.00 C ATOM 446 C LYS A 69 21.888 21.641 23.788 1.00 20.00 C ATOM 447 O LYS A 69 22.158 21.734 24.987 1.00 20.00 O ATOM 448 CB LYS A 69 19.513 21.391 22.957 1.00 20.00 C ATOM 449 CG LYS A 69 18.807 21.958 24.200 1.00 20.00 C ATOM 450 CD LYS A 69 17.720 22.964 23.819 1.00 20.00 C ATOM 451 CE LYS A 69 17.042 23.453 25.095 1.00 20.00 C ATOM 452 NZ LYS A 69 15.941 24.374 24.795 1.00 20.00 N ATOM 0 H LYS A 69 20.519 20.087 25.268 1.00 20.00 H new ATOM 0 HA LYS A 69 21.194 20.153 22.413 1.00 20.00 H new ATOM 0 HB2 LYS A 69 19.734 22.204 22.266 1.00 20.00 H new ATOM 0 HB3 LYS A 69 18.839 20.708 22.440 1.00 20.00 H new ATOM 0 HG2 LYS A 69 18.365 21.142 24.772 1.00 20.00 H new ATOM 0 HG3 LYS A 69 19.540 22.440 24.847 1.00 20.00 H new ATOM 0 HD2 LYS A 69 18.155 23.803 23.276 1.00 20.00 H new ATOM 0 HD3 LYS A 69 16.990 22.499 23.157 1.00 20.00 H new ATOM 0 HE2 LYS A 69 16.662 22.600 25.657 1.00 20.00 H new ATOM 0 HE3 LYS A 69 17.774 23.953 25.730 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 15.436 24.609 25.673 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 16.322 25.244 24.371 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 15.283 23.923 24.128 1.00 20.00 H new ATOM 466 N CYS A 70 22.460 22.419 22.858 1.00 20.00 N ATOM 467 CA CYS A 70 23.442 23.453 23.176 1.00 20.00 C ATOM 468 C CYS A 70 22.768 24.826 23.248 1.00 20.00 C ATOM 469 O CYS A 70 22.319 25.350 22.227 1.00 20.00 O ATOM 470 CB CYS A 70 24.592 23.443 22.165 1.00 20.00 C ATOM 471 SG CYS A 70 26.024 24.391 22.760 1.00 20.00 S ATOM 0 H CYS A 70 22.251 22.345 21.862 1.00 20.00 H new ATOM 0 HA CYS A 70 23.868 23.238 24.156 1.00 20.00 H new ATOM 0 HB2 CYS A 70 24.894 22.414 21.968 1.00 20.00 H new ATOM 0 HB3 CYS A 70 24.248 23.861 21.219 1.00 20.00 H new ATOM 476 N CYS A 71 22.716 25.403 24.458 1.00 20.00 N ATOM 477 CA CYS A 71 22.299 26.783 24.680 1.00 20.00 C ATOM 478 C CYS A 71 23.373 27.758 24.178 1.00 20.00 C ATOM 479 O CYS A 71 24.562 27.435 24.178 1.00 20.00 O ATOM 480 CB CYS A 71 22.095 27.023 26.181 1.00 20.00 C ATOM 481 SG CYS A 71 20.889 25.987 27.053 1.00 20.00 S ATOM 0 H CYS A 71 22.967 24.912 25.316 1.00 20.00 H new ATOM 0 HA CYS A 71 21.370 26.951 24.136 1.00 20.00 H new ATOM 0 HB2 CYS A 71 23.060 26.899 26.673 1.00 20.00 H new ATOM 0 HB3 CYS A 71 21.800 28.064 26.316 1.00 20.00 H new ATOM 486 N VAL A 72 22.965 28.990 23.850 1.00 20.00 N ATOM 487 CA VAL A 72 23.880 30.124 23.695 1.00 20.00 C ATOM 488 C VAL A 72 24.508 30.468 25.050 1.00 20.00 C ATOM 489 O VAL A 72 23.844 30.424 26.086 1.00 20.00 O ATOM 490 CB VAL A 72 23.169 31.345 23.066 1.00 20.00 C ATOM 491 CG1 VAL A 72 22.826 31.048 21.599 1.00 20.00 C ATOM 492 CG2 VAL A 72 21.905 31.798 23.817 1.00 20.00 C ATOM 0 H VAL A 72 21.987 29.228 23.684 1.00 20.00 H new ATOM 0 HA VAL A 72 24.676 29.841 23.007 1.00 20.00 H new ATOM 0 HB VAL A 72 23.873 32.174 23.139 1.00 20.00 H new ATOM 0 HG11 VAL A 72 22.325 31.911 21.160 1.00 20.00 H new ATOM 0 HG12 VAL A 72 23.742 30.840 21.046 1.00 20.00 H new ATOM 0 HG13 VAL A 72 22.167 30.181 21.548 1.00 20.00 H new ATOM 0 HG21 VAL A 72 21.469 32.659 23.310 1.00 20.00 H new ATOM 0 HG22 VAL A 72 21.181 30.983 23.836 1.00 20.00 H new ATOM 0 HG23 VAL A 72 22.168 32.074 24.838 1.00 20.00 H new ATOM 502 N TRP A 73 25.797 30.824 25.023 1.00 20.00 N ATOM 503 CA TRP A 73 26.529 31.341 26.176 1.00 20.00 C ATOM 504 C TRP A 73 26.104 32.772 26.542 1.00 20.00 C ATOM 505 O TRP A 73 26.362 33.209 27.662 1.00 20.00 O ATOM 506 CB TRP A 73 28.033 31.277 25.867 1.00 20.00 C ATOM 507 CG TRP A 73 28.482 31.945 24.588 1.00 20.00 C ATOM 508 CD1 TRP A 73 28.381 33.250 24.307 1.00 20.00 C ATOM 509 CD2 TRP A 73 29.085 31.329 23.402 1.00 20.00 C ATOM 510 NE1 TRP A 73 28.886 33.509 23.043 1.00 20.00 N ATOM 511 CE2 TRP A 73 29.334 32.359 22.454 1.00 20.00 C ATOM 512 CE3 TRP A 73 29.428 30.015 23.039 1.00 20.00 C ATOM 513 CZ2 TRP A 73 29.913 32.087 21.187 1.00 20.00 C ATOM 514 CZ3 TRP A 73 30.022 29.734 21.798 1.00 20.00 C ATOM 515 CH2 TRP A 73 30.254 30.772 20.870 1.00 20.00 C ATOM 0 H TRP A 73 26.368 30.758 24.181 1.00 20.00 H new ATOM 0 HA TRP A 73 26.297 30.724 27.044 1.00 20.00 H new ATOM 0 HB2 TRP A 73 28.573 31.731 26.698 1.00 20.00 H new ATOM 0 HB3 TRP A 73 28.330 30.229 25.828 1.00 20.00 H new ATOM 0 HD1 TRP A 73 27.966 33.994 24.970 1.00 20.00 H new ATOM 0 HE1 TRP A 73 28.919 34.432 22.610 1.00 20.00 H new ATOM 0 HE3 TRP A 73 29.231 29.206 23.727 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 30.087 32.885 20.480 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 30.302 28.720 21.553 1.00 20.00 H new ATOM 0 HH2 TRP A 73 30.697 30.547 19.911 1.00 20.00 H new ATOM 526 N LEU A 74 25.455 33.484 25.608 1.00 20.00 N ATOM 527 CA LEU A 74 25.011 34.867 25.732 1.00 20.00 C ATOM 528 C LEU A 74 23.899 34.956 26.784 1.00 20.00 C ATOM 529 O LEU A 74 22.763 34.551 26.534 1.00 20.00 O ATOM 530 CB LEU A 74 24.594 35.383 24.340 1.00 20.00 C ATOM 531 CG LEU A 74 24.423 36.918 24.248 1.00 20.00 C ATOM 532 CD1 LEU A 74 24.533 37.368 22.784 1.00 20.00 C ATOM 533 CD2 LEU A 74 23.083 37.417 24.808 1.00 20.00 C ATOM 0 H LEU A 74 25.217 33.083 24.701 1.00 20.00 H new ATOM 0 HA LEU A 74 25.815 35.514 26.083 1.00 20.00 H new ATOM 0 HB2 LEU A 74 25.342 35.069 23.612 1.00 20.00 H new ATOM 0 HB3 LEU A 74 23.655 34.908 24.057 1.00 20.00 H new ATOM 0 HG LEU A 74 25.218 37.349 24.857 1.00 20.00 H new ATOM 0 HD11 LEU A 74 24.412 38.450 22.726 1.00 20.00 H new ATOM 0 HD12 LEU A 74 25.511 37.091 22.391 1.00 20.00 H new ATOM 0 HD13 LEU A 74 23.754 36.883 22.195 1.00 20.00 H new ATOM 0 HD21 LEU A 74 23.030 38.501 24.712 1.00 20.00 H new ATOM 0 HD22 LEU A 74 22.264 36.963 24.251 1.00 20.00 H new ATOM 0 HD23 LEU A 74 23.003 37.142 25.860 1.00 20.00 H new ATOM 545 N HIS A 75 24.256 35.448 27.977 1.00 20.00 N ATOM 546 CA HIS A 75 23.380 35.546 29.140 1.00 20.00 C ATOM 547 C HIS A 75 22.636 36.888 29.161 1.00 20.00 C ATOM 548 O HIS A 75 23.318 37.937 28.987 1.00 20.00 O ATOM 549 CB HIS A 75 24.208 35.316 30.413 1.00 20.00 C ATOM 550 CG HIS A 75 23.401 35.113 31.673 1.00 20.00 C ATOM 551 ND1 HIS A 75 22.027 34.980 31.763 1.00 20.00 N ATOM 552 CD2 HIS A 75 23.922 34.973 32.930 1.00 20.00 C ATOM 553 CE1 HIS A 75 21.723 34.763 33.054 1.00 20.00 C ATOM 554 NE2 HIS A 75 22.857 34.757 33.783 1.00 20.00 N ATOM 555 OXT HIS A 75 21.413 36.858 29.356 1.00 20.00 O ATOM 0 H HIS A 75 25.196 35.799 28.160 1.00 20.00 H new ATOM 0 HA HIS A 75 22.612 34.774 29.087 1.00 20.00 H new ATOM 0 HB2 HIS A 75 24.843 34.443 30.262 1.00 20.00 H new ATOM 0 HB3 HIS A 75 24.869 36.170 30.557 1.00 20.00 H new ATOM 0 HD2 HIS A 75 24.966 35.022 33.203 1.00 20.00 H new ATOM 0 HE1 HIS A 75 20.727 34.617 33.446 1.00 20.00 H new ATOM 0 HE2 HIS A 75 22.918 34.617 34.791 1.00 20.00 H new TER 564 HIS A 75