USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 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 6 HIS : no HD1:sc= -0.17 K(o=0.014,f=-1.1) USER MOD Set 1.2: A 13 THR OG1 : rot -58:sc= 0.184 USER MOD Single : A 1 ARG N :NH3+ -142:sc= 0.521! (180deg=-3.58!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0235 K(o=-0.024,f=-0.66) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -111:sc= -0.691 (180deg=-2.49!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0703 X(o=-0.07,f=-0.097) USER MOD Single : A 21 SER OG : rot 17:sc= 0.605 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= -2.55! (180deg=-5.62!) USER MOD Single : A 25 ASN : amide:sc= -2.49! C(o=-2.5!,f=-4!) USER MOD Single : A 28 THR OG1 : rot -35:sc= 1.35 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00222 USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= -0.919! (180deg=-1.92!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.327 24.677 67.157 1.00 0.00 N ATOM 2 CA ARG A 1 38.978 24.406 66.477 1.00 0.00 C ATOM 3 C ARG A 1 39.161 24.622 64.944 1.00 0.00 C ATOM 4 O ARG A 1 40.260 24.920 64.487 1.00 0.00 O ATOM 5 CB ARG A 1 37.838 25.351 66.976 1.00 0.00 C ATOM 6 CG ARG A 1 36.506 24.653 67.349 1.00 0.00 C ATOM 7 CD ARG A 1 36.641 23.701 68.547 1.00 0.00 C ATOM 8 NE ARG A 1 37.308 24.292 69.750 1.00 0.00 N ATOM 9 CZ ARG A 1 36.944 25.446 70.288 1.00 0.00 C ATOM 10 NH1 ARG A 1 35.683 25.724 70.490 1.00 0.00 N ATOM 11 NH2 ARG A 1 37.860 26.318 70.599 1.00 0.00 N ATOM 0 H1 ARG A 1 40.466 24.000 67.934 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.094 24.569 66.463 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.337 25.646 67.535 1.00 0.00 H new ATOM 0 HA ARG A 1 38.682 23.386 66.722 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.198 25.897 67.848 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.636 26.089 66.200 1.00 0.00 H new ATOM 0 HG2 ARG A 1 35.757 25.411 67.577 1.00 0.00 H new ATOM 0 HG3 ARG A 1 36.142 24.094 66.487 1.00 0.00 H new ATOM 0 HD2 ARG A 1 35.647 23.357 68.833 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.204 22.822 68.232 1.00 0.00 H new ATOM 0 HE ARG A 1 38.081 23.781 70.176 1.00 0.00 H new ATOM 0 HH11 ARG A 1 34.964 25.048 70.232 1.00 0.00 H new ATOM 0 HH12 ARG A 1 35.418 26.617 70.905 1.00 0.00 H new ATOM 0 HH21 ARG A 1 38.843 26.108 70.427 1.00 0.00 H new ATOM 0 HH22 ARG A 1 37.594 27.211 71.014 1.00 0.00 H new ATOM 27 N ILE A 2 38.027 24.457 64.160 1.00 0.00 N ATOM 28 CA ILE A 2 38.035 24.755 62.719 1.00 0.00 C ATOM 29 C ILE A 2 37.552 26.244 62.560 1.00 0.00 C ATOM 30 O ILE A 2 36.442 26.612 62.948 1.00 0.00 O ATOM 31 CB ILE A 2 37.089 23.908 61.814 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.082 22.379 62.102 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.349 24.229 60.316 1.00 0.00 C ATOM 34 CD1 ILE A 2 38.218 21.568 61.468 1.00 0.00 C ATOM 0 H ILE A 2 37.131 24.126 64.517 1.00 0.00 H new ATOM 0 HA ILE A 2 39.050 24.533 62.390 1.00 0.00 H new ATOM 0 HB ILE A 2 36.076 24.215 62.075 1.00 0.00 H new ATOM 0 HG12 ILE A 2 37.117 22.233 63.182 1.00 0.00 H new ATOM 0 HG13 ILE A 2 36.133 21.969 61.756 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.682 23.631 59.695 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.163 25.287 60.133 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.384 23.994 60.068 1.00 0.00 H new ATOM 0 HD11 ILE A 2 38.109 20.517 61.738 1.00 0.00 H new ATOM 0 HD12 ILE A 2 38.177 21.671 60.384 1.00 0.00 H new ATOM 0 HD13 ILE A 2 39.176 21.939 61.831 1.00 0.00 H new ATOM 46 N CYS A 3 38.426 27.119 61.936 1.00 0.00 N ATOM 47 CA CYS A 3 37.938 28.384 61.375 1.00 0.00 C ATOM 48 C CYS A 3 38.424 28.481 59.882 1.00 0.00 C ATOM 49 O CYS A 3 39.082 27.581 59.369 1.00 0.00 O ATOM 50 CB CYS A 3 38.304 29.686 62.129 1.00 0.00 C ATOM 51 SG CYS A 3 37.425 30.140 63.683 1.00 0.00 S ATOM 0 H CYS A 3 39.427 26.956 61.825 1.00 0.00 H new ATOM 0 HA CYS A 3 36.854 28.334 61.474 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.367 29.635 62.363 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.171 30.512 61.430 1.00 0.00 H new ATOM 56 N TYR A 4 38.043 29.596 59.161 1.00 0.00 N ATOM 57 CA TYR A 4 38.439 29.751 57.759 1.00 0.00 C ATOM 58 C TYR A 4 39.811 30.484 57.621 1.00 0.00 C ATOM 59 O TYR A 4 40.182 31.313 58.450 1.00 0.00 O ATOM 60 CB TYR A 4 37.421 30.651 57.034 1.00 0.00 C ATOM 61 CG TYR A 4 35.990 30.225 57.275 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.403 29.206 56.531 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.227 30.805 58.288 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.107 28.775 56.777 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.945 30.370 58.573 1.00 0.00 C ATOM 66 CZ TYR A 4 33.352 29.356 57.801 1.00 0.00 C ATOM 67 OH TYR A 4 32.065 28.988 58.072 1.00 0.00 O ATOM 0 H TYR A 4 37.482 30.361 59.535 1.00 0.00 H new ATOM 0 HA TYR A 4 38.495 28.747 57.338 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.550 31.681 57.367 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.625 30.635 55.963 1.00 0.00 H new ATOM 0 HD1 TYR A 4 35.971 28.738 55.741 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.648 31.615 58.865 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.679 27.987 56.175 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.397 30.812 59.392 1.00 0.00 H new ATOM 0 HH TYR A 4 31.725 29.516 58.824 1.00 0.00 H new ATOM 77 N ASN A 5 40.533 30.202 56.474 1.00 0.00 N ATOM 78 CA ASN A 5 41.688 31.027 56.106 1.00 0.00 C ATOM 79 C ASN A 5 41.714 30.898 54.556 1.00 0.00 C ATOM 80 O ASN A 5 42.606 30.314 53.949 1.00 0.00 O ATOM 81 CB ASN A 5 43.026 30.667 56.763 1.00 0.00 C ATOM 82 CG ASN A 5 44.134 31.582 56.235 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.940 32.711 55.820 1.00 0.00 O ATOM 84 ND2 ASN A 5 45.368 31.034 56.257 1.00 0.00 N ATOM 0 H ASN A 5 40.326 29.437 55.831 1.00 0.00 H new ATOM 0 HA ASN A 5 41.570 32.047 56.473 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.947 30.766 57.846 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.274 29.626 56.555 1.00 0.00 H new ATOM 0 HD21 ASN A 5 46.169 31.568 55.920 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.499 30.086 56.610 1.00 0.00 H new ATOM 91 N HIS A 6 40.606 31.469 53.959 1.00 0.00 N ATOM 92 CA HIS A 6 40.257 31.557 52.535 1.00 0.00 C ATOM 93 C HIS A 6 40.467 32.994 51.966 1.00 0.00 C ATOM 94 O HIS A 6 40.930 33.896 52.659 1.00 0.00 O ATOM 95 CB HIS A 6 40.686 30.362 51.589 1.00 0.00 C ATOM 96 CG HIS A 6 42.034 30.427 50.954 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.540 29.394 50.130 1.00 0.00 N ATOM 98 CD2 HIS A 6 43.034 31.355 50.954 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.767 29.664 49.695 1.00 0.00 C ATOM 100 NE2 HIS A 6 44.084 30.865 50.196 1.00 0.00 N ATOM 0 H HIS A 6 39.888 31.910 54.534 1.00 0.00 H new ATOM 0 HA HIS A 6 39.182 31.379 52.523 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.633 29.440 52.169 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.945 30.282 50.794 1.00 0.00 H new ATOM 0 HD2 HIS A 6 43.011 32.309 51.459 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.384 29.041 49.065 1.00 0.00 H new ATOM 0 HE2 HIS A 6 44.969 31.348 50.042 1.00 0.00 H new ATOM 109 N LEU A 7 40.005 33.192 50.686 1.00 0.00 N ATOM 110 CA LEU A 7 39.986 34.486 50.030 1.00 0.00 C ATOM 111 C LEU A 7 41.412 35.044 49.715 1.00 0.00 C ATOM 112 O LEU A 7 42.423 34.344 49.703 1.00 0.00 O ATOM 113 CB LEU A 7 39.019 35.487 50.708 1.00 0.00 C ATOM 114 CG LEU A 7 37.586 34.968 50.986 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.686 36.095 51.514 1.00 0.00 C ATOM 116 CD2 LEU A 7 36.919 34.387 49.730 1.00 0.00 C ATOM 0 H LEU A 7 39.641 32.437 50.105 1.00 0.00 H new ATOM 0 HA LEU A 7 39.555 34.326 49.042 1.00 0.00 H new ATOM 0 HB2 LEU A 7 39.459 35.802 51.654 1.00 0.00 H new ATOM 0 HB3 LEU A 7 38.947 36.374 50.079 1.00 0.00 H new ATOM 0 HG LEU A 7 37.695 34.180 51.731 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.686 35.704 51.701 1.00 0.00 H new ATOM 0 HD12 LEU A 7 37.102 36.488 52.442 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.631 36.894 50.774 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.917 34.037 49.979 1.00 0.00 H new ATOM 0 HD22 LEU A 7 36.854 35.158 48.963 1.00 0.00 H new ATOM 0 HD23 LEU A 7 37.512 33.552 49.356 1.00 0.00 H new ATOM 128 N GLY A 8 41.409 36.364 49.307 1.00 0.00 N ATOM 129 CA GLY A 8 42.592 36.988 48.727 1.00 0.00 C ATOM 130 C GLY A 8 42.763 36.434 47.294 1.00 0.00 C ATOM 131 O GLY A 8 43.875 36.071 46.926 1.00 0.00 O ATOM 0 H GLY A 8 40.600 36.981 49.380 1.00 0.00 H new ATOM 0 HA2 GLY A 8 42.481 38.072 48.707 1.00 0.00 H new ATOM 0 HA3 GLY A 8 43.474 36.769 49.329 1.00 0.00 H new ATOM 135 N THR A 9 41.629 36.417 46.483 1.00 0.00 N ATOM 136 CA THR A 9 41.456 35.938 45.091 1.00 0.00 C ATOM 137 C THR A 9 41.114 34.411 45.060 1.00 0.00 C ATOM 138 O THR A 9 40.434 33.956 44.143 1.00 0.00 O ATOM 139 CB THR A 9 42.700 36.183 44.203 1.00 0.00 C ATOM 140 OG1 THR A 9 43.157 37.539 44.193 1.00 0.00 O ATOM 141 CG2 THR A 9 42.534 35.828 42.718 1.00 0.00 C ATOM 0 H THR A 9 40.746 36.777 46.846 1.00 0.00 H new ATOM 0 HA THR A 9 40.629 36.520 44.684 1.00 0.00 H new ATOM 0 HB THR A 9 43.412 35.512 44.684 1.00 0.00 H new ATOM 0 HG1 THR A 9 43.944 37.615 43.614 1.00 0.00 H new ATOM 0 HG21 THR A 9 43.463 36.038 42.188 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.292 34.770 42.622 1.00 0.00 H new ATOM 0 HG23 THR A 9 41.729 36.425 42.289 1.00 0.00 H new ATOM 149 N LYS A 10 41.615 33.616 46.078 1.00 0.00 N ATOM 150 CA LYS A 10 41.577 32.123 46.082 1.00 0.00 C ATOM 151 C LYS A 10 40.604 31.653 47.254 1.00 0.00 C ATOM 152 O LYS A 10 41.011 31.714 48.408 1.00 0.00 O ATOM 153 CB LYS A 10 42.997 31.518 46.295 1.00 0.00 C ATOM 154 CG LYS A 10 43.972 31.550 45.077 1.00 0.00 C ATOM 155 CD LYS A 10 44.346 32.972 44.609 1.00 0.00 C ATOM 156 CE LYS A 10 45.277 33.117 43.397 1.00 0.00 C ATOM 157 NZ LYS A 10 45.566 34.619 43.198 1.00 0.00 N ATOM 0 H LYS A 10 42.053 34.006 46.912 1.00 0.00 H new ATOM 0 HA LYS A 10 41.214 31.771 45.116 1.00 0.00 H new ATOM 0 HB2 LYS A 10 43.470 32.048 47.121 1.00 0.00 H new ATOM 0 HB3 LYS A 10 42.880 30.480 46.607 1.00 0.00 H new ATOM 0 HG2 LYS A 10 44.884 31.014 45.340 1.00 0.00 H new ATOM 0 HG3 LYS A 10 43.516 31.013 44.245 1.00 0.00 H new ATOM 0 HD2 LYS A 10 43.421 33.502 44.383 1.00 0.00 H new ATOM 0 HD3 LYS A 10 44.811 33.487 45.449 1.00 0.00 H new ATOM 0 HE2 LYS A 10 46.205 32.568 43.561 1.00 0.00 H new ATOM 0 HE3 LYS A 10 44.811 32.697 42.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 45.106 34.948 42.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 45.195 35.154 44.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 46.593 34.768 43.126 1.00 0.00 H new ATOM 171 N PRO A 11 39.362 31.062 46.977 1.00 0.00 N ATOM 172 CA PRO A 11 38.416 30.736 48.094 1.00 0.00 C ATOM 173 C PRO A 11 38.425 29.322 48.843 1.00 0.00 C ATOM 174 O PRO A 11 37.724 29.265 49.854 1.00 0.00 O ATOM 175 CB PRO A 11 37.001 30.930 47.498 1.00 0.00 C ATOM 176 CG PRO A 11 37.224 31.912 46.344 1.00 0.00 C ATOM 177 CD PRO A 11 38.564 31.429 45.798 1.00 0.00 C ATOM 0 HA PRO A 11 38.753 31.392 48.897 1.00 0.00 H new ATOM 0 HB2 PRO A 11 36.582 29.987 47.146 1.00 0.00 H new ATOM 0 HB3 PRO A 11 36.307 31.331 48.237 1.00 0.00 H new ATOM 0 HG2 PRO A 11 36.432 31.857 45.598 1.00 0.00 H new ATOM 0 HG3 PRO A 11 37.268 32.946 46.686 1.00 0.00 H new ATOM 0 HD2 PRO A 11 38.432 30.576 45.133 1.00 0.00 H new ATOM 0 HD3 PRO A 11 39.056 32.211 45.219 1.00 0.00 H new ATOM 185 N PRO A 12 39.256 28.245 48.501 1.00 0.00 N ATOM 186 CA PRO A 12 39.066 26.916 49.145 1.00 0.00 C ATOM 187 C PRO A 12 39.580 26.380 50.536 1.00 0.00 C ATOM 188 O PRO A 12 39.017 25.349 50.918 1.00 0.00 O ATOM 189 CB PRO A 12 39.759 25.979 48.133 1.00 0.00 C ATOM 190 CG PRO A 12 39.300 26.557 46.798 1.00 0.00 C ATOM 191 CD PRO A 12 39.477 28.048 47.063 1.00 0.00 C ATOM 0 HA PRO A 12 38.005 26.980 49.387 1.00 0.00 H new ATOM 0 HB2 PRO A 12 40.844 26.000 48.235 1.00 0.00 H new ATOM 0 HB3 PRO A 12 39.447 24.942 48.257 1.00 0.00 H new ATOM 0 HG2 PRO A 12 39.910 26.209 45.964 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.267 26.297 46.567 1.00 0.00 H new ATOM 0 HD2 PRO A 12 40.475 28.377 46.775 1.00 0.00 H new ATOM 0 HD3 PRO A 12 38.767 28.633 46.478 1.00 0.00 H new ATOM 199 N THR A 13 40.590 26.935 51.311 1.00 0.00 N ATOM 200 CA THR A 13 41.055 26.250 52.543 1.00 0.00 C ATOM 201 C THR A 13 40.519 26.807 53.902 1.00 0.00 C ATOM 202 O THR A 13 40.179 27.973 54.080 1.00 0.00 O ATOM 203 CB THR A 13 42.604 26.220 52.651 1.00 0.00 C ATOM 204 OG1 THR A 13 43.222 27.505 52.747 1.00 0.00 O ATOM 205 CG2 THR A 13 43.277 25.502 51.462 1.00 0.00 C ATOM 0 H THR A 13 41.065 27.813 51.101 1.00 0.00 H new ATOM 0 HA THR A 13 40.630 25.256 52.408 1.00 0.00 H new ATOM 0 HB THR A 13 42.759 25.674 53.582 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.986 28.041 51.961 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.359 25.514 51.595 1.00 0.00 H new ATOM 0 HG22 THR A 13 42.928 24.470 51.415 1.00 0.00 H new ATOM 0 HG23 THR A 13 43.020 26.014 50.535 1.00 0.00 H new ATOM 213 N THR A 14 40.564 25.879 54.917 1.00 0.00 N ATOM 214 CA THR A 14 40.140 26.106 56.298 1.00 0.00 C ATOM 215 C THR A 14 41.313 25.683 57.237 1.00 0.00 C ATOM 216 O THR A 14 42.105 24.778 56.976 1.00 0.00 O ATOM 217 CB THR A 14 38.834 25.371 56.614 1.00 0.00 C ATOM 218 OG1 THR A 14 38.961 23.961 56.413 1.00 0.00 O ATOM 219 CG2 THR A 14 37.701 25.981 55.763 1.00 0.00 C ATOM 0 H THR A 14 40.911 24.932 54.766 1.00 0.00 H new ATOM 0 HA THR A 14 39.920 27.162 56.457 1.00 0.00 H new ATOM 0 HB THR A 14 38.591 25.501 57.669 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.111 23.522 56.625 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.765 25.465 55.979 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.596 27.039 56.002 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.940 25.870 54.705 1.00 0.00 H new ATOM 227 N GLU A 15 41.406 26.435 58.384 1.00 0.00 N ATOM 228 CA GLU A 15 42.470 26.300 59.369 1.00 0.00 C ATOM 229 C GLU A 15 41.953 25.285 60.435 1.00 0.00 C ATOM 230 O GLU A 15 41.360 25.650 61.449 1.00 0.00 O ATOM 231 CB GLU A 15 42.826 27.691 59.917 1.00 0.00 C ATOM 232 CG GLU A 15 43.859 27.743 61.050 1.00 0.00 C ATOM 233 CD GLU A 15 45.130 26.987 60.718 1.00 0.00 C ATOM 234 OE1 GLU A 15 45.373 25.829 61.023 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.000 27.745 60.062 1.00 0.00 O ATOM 0 H GLU A 15 40.723 27.152 58.627 1.00 0.00 H new ATOM 0 HA GLU A 15 43.402 25.910 58.961 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.197 28.297 59.091 1.00 0.00 H new ATOM 0 HB3 GLU A 15 41.909 28.162 60.271 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.105 28.783 61.264 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.419 27.326 61.956 1.00 0.00 H new ATOM 243 N THR A 16 42.197 23.942 60.152 1.00 0.00 N ATOM 244 CA THR A 16 41.974 22.907 61.173 1.00 0.00 C ATOM 245 C THR A 16 43.172 23.082 62.166 1.00 0.00 C ATOM 246 O THR A 16 44.350 22.985 61.824 1.00 0.00 O ATOM 247 CB THR A 16 41.847 21.448 60.664 1.00 0.00 C ATOM 248 OG1 THR A 16 41.429 20.652 61.775 1.00 0.00 O ATOM 249 CG2 THR A 16 43.101 20.847 60.017 1.00 0.00 C ATOM 0 H THR A 16 42.534 23.594 59.254 1.00 0.00 H new ATOM 0 HA THR A 16 40.995 23.054 61.628 1.00 0.00 H new ATOM 0 HB THR A 16 41.123 21.457 59.849 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.335 19.719 61.492 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.893 19.825 59.700 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.385 21.444 59.151 1.00 0.00 H new ATOM 0 HG23 THR A 16 43.917 20.844 60.739 1.00 0.00 H new ATOM 257 N CYS A 17 42.820 23.350 63.484 1.00 0.00 N ATOM 258 CA CYS A 17 43.837 23.847 64.405 1.00 0.00 C ATOM 259 C CYS A 17 43.539 23.481 65.886 1.00 0.00 C ATOM 260 O CYS A 17 42.398 23.387 66.336 1.00 0.00 O ATOM 261 CB CYS A 17 43.848 25.369 64.296 1.00 0.00 C ATOM 262 SG CYS A 17 45.248 26.281 65.002 1.00 0.00 S ATOM 0 H CYS A 17 41.888 23.228 63.881 1.00 0.00 H new ATOM 0 HA CYS A 17 44.790 23.392 64.135 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.786 25.625 63.238 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.939 25.741 64.768 1.00 0.00 H new ATOM 267 N GLN A 18 44.674 23.385 66.658 1.00 0.00 N ATOM 268 CA GLN A 18 44.689 23.160 68.103 1.00 0.00 C ATOM 269 C GLN A 18 44.800 24.516 68.880 1.00 0.00 C ATOM 270 O GLN A 18 44.750 24.492 70.110 1.00 0.00 O ATOM 271 CB GLN A 18 45.841 22.234 68.556 1.00 0.00 C ATOM 272 CG GLN A 18 45.833 20.779 68.038 1.00 0.00 C ATOM 273 CD GLN A 18 44.551 20.074 68.474 1.00 0.00 C ATOM 274 OE1 GLN A 18 43.534 20.065 67.806 1.00 0.00 O ATOM 275 NE2 GLN A 18 44.626 19.456 69.675 1.00 0.00 N ATOM 0 H GLN A 18 45.610 23.467 66.261 1.00 0.00 H new ATOM 0 HA GLN A 18 43.745 22.668 68.336 1.00 0.00 H new ATOM 0 HB2 GLN A 18 46.781 22.694 68.252 1.00 0.00 H new ATOM 0 HB3 GLN A 18 45.839 22.203 69.646 1.00 0.00 H new ATOM 0 HG2 GLN A 18 45.910 20.771 66.951 1.00 0.00 H new ATOM 0 HG3 GLN A 18 46.701 20.243 68.422 1.00 0.00 H new ATOM 0 HE21 GLN A 18 45.495 19.483 70.209 1.00 0.00 H new ATOM 0 HE22 GLN A 18 43.814 18.963 70.046 1.00 0.00 H new ATOM 284 N GLU A 19 44.984 25.721 68.200 1.00 0.00 N ATOM 285 CA GLU A 19 45.051 26.996 68.922 1.00 0.00 C ATOM 286 C GLU A 19 43.548 27.235 69.322 1.00 0.00 C ATOM 287 O GLU A 19 42.693 27.536 68.492 1.00 0.00 O ATOM 288 CB GLU A 19 45.678 28.164 68.114 1.00 0.00 C ATOM 289 CG GLU A 19 46.513 29.138 68.974 1.00 0.00 C ATOM 290 CD GLU A 19 47.796 28.474 69.462 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.752 28.191 68.764 1.00 0.00 O ATOM 292 OE2 GLU A 19 47.770 28.250 70.774 1.00 0.00 O ATOM 0 H GLU A 19 45.082 25.799 67.188 1.00 0.00 H new ATOM 0 HA GLU A 19 45.725 26.957 69.778 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.312 27.752 67.329 1.00 0.00 H new ATOM 0 HB3 GLU A 19 44.882 28.721 67.620 1.00 0.00 H new ATOM 0 HG2 GLU A 19 46.758 30.026 68.391 1.00 0.00 H new ATOM 0 HG3 GLU A 19 45.924 29.471 69.829 1.00 0.00 H new ATOM 300 N ASP A 20 43.275 27.095 70.677 1.00 0.00 N ATOM 301 CA ASP A 20 41.990 26.956 71.359 1.00 0.00 C ATOM 302 C ASP A 20 40.948 28.130 71.209 1.00 0.00 C ATOM 303 O ASP A 20 39.950 28.123 71.938 1.00 0.00 O ATOM 304 CB ASP A 20 41.361 25.552 71.245 1.00 0.00 C ATOM 305 CG ASP A 20 40.859 25.157 69.835 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.209 26.028 69.245 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.091 24.013 69.439 1.00 0.00 O ATOM 0 H ASP A 20 44.042 27.079 71.350 1.00 0.00 H new ATOM 0 HA ASP A 20 42.299 27.071 72.398 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.097 24.816 71.568 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.523 25.491 71.940 1.00 0.00 H new ATOM 312 N SER A 21 41.165 29.185 70.351 1.00 0.00 N ATOM 313 CA SER A 21 40.212 30.275 70.154 1.00 0.00 C ATOM 314 C SER A 21 40.553 30.896 68.770 1.00 0.00 C ATOM 315 O SER A 21 41.720 30.950 68.368 1.00 0.00 O ATOM 316 CB SER A 21 40.259 31.389 71.235 1.00 0.00 C ATOM 317 OG SER A 21 39.737 30.973 72.493 1.00 0.00 O ATOM 0 H SER A 21 42.012 29.279 69.790 1.00 0.00 H new ATOM 0 HA SER A 21 39.206 29.861 70.220 1.00 0.00 H new ATOM 0 HB2 SER A 21 41.291 31.715 71.367 1.00 0.00 H new ATOM 0 HB3 SER A 21 39.695 32.252 70.882 1.00 0.00 H new ATOM 0 HG SER A 21 39.699 29.994 72.524 1.00 0.00 H new ATOM 323 N CYS A 22 39.498 31.372 68.008 1.00 0.00 N ATOM 324 CA CYS A 22 39.788 31.830 66.660 1.00 0.00 C ATOM 325 C CYS A 22 39.015 33.116 66.258 1.00 0.00 C ATOM 326 O CYS A 22 37.950 33.456 66.766 1.00 0.00 O ATOM 327 CB CYS A 22 39.806 30.627 65.665 1.00 0.00 C ATOM 328 SG CYS A 22 38.411 29.486 65.333 1.00 0.00 S ATOM 0 H CYS A 22 38.524 31.433 68.305 1.00 0.00 H new ATOM 0 HA CYS A 22 40.807 32.213 66.613 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.079 31.049 64.698 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.635 29.995 65.982 1.00 0.00 H new ATOM 333 N TYR A 23 39.696 33.887 65.328 1.00 0.00 N ATOM 334 CA TYR A 23 39.405 35.317 65.171 1.00 0.00 C ATOM 335 C TYR A 23 38.998 35.722 63.735 1.00 0.00 C ATOM 336 O TYR A 23 39.504 35.189 62.747 1.00 0.00 O ATOM 337 CB TYR A 23 40.681 36.134 65.583 1.00 0.00 C ATOM 338 CG TYR A 23 41.886 35.908 64.680 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.037 36.601 63.481 1.00 0.00 C ATOM 340 CD2 TYR A 23 42.906 35.021 65.023 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.154 36.463 62.671 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.016 34.834 64.212 1.00 0.00 C ATOM 343 CZ TYR A 23 44.163 35.565 63.018 1.00 0.00 C ATOM 344 OH TYR A 23 45.269 35.358 62.251 1.00 0.00 O ATOM 0 H TYR A 23 40.422 33.530 64.708 1.00 0.00 H new ATOM 0 HA TYR A 23 38.550 35.537 65.810 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.435 37.196 65.582 1.00 0.00 H new ATOM 0 HB3 TYR A 23 40.953 35.871 66.605 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.252 37.274 63.169 1.00 0.00 H new ATOM 0 HD2 TYR A 23 42.830 34.464 65.945 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.243 37.052 61.770 1.00 0.00 H new ATOM 0 HE2 TYR A 23 44.774 34.121 64.499 1.00 0.00 H new ATOM 0 HH TYR A 23 45.844 34.691 62.680 1.00 0.00 H new ATOM 354 N LYS A 24 38.062 36.742 63.652 1.00 0.00 N ATOM 355 CA LYS A 24 37.611 37.320 62.389 1.00 0.00 C ATOM 356 C LYS A 24 38.537 38.549 62.099 1.00 0.00 C ATOM 357 O LYS A 24 38.921 39.314 62.985 1.00 0.00 O ATOM 358 CB LYS A 24 36.128 37.727 62.473 1.00 0.00 C ATOM 359 CG LYS A 24 35.145 36.611 62.909 1.00 0.00 C ATOM 360 CD LYS A 24 33.723 37.157 63.121 1.00 0.00 C ATOM 361 CE LYS A 24 32.660 36.116 63.488 1.00 0.00 C ATOM 362 NZ LYS A 24 32.262 35.317 62.245 1.00 0.00 N ATOM 0 H LYS A 24 37.622 37.161 64.472 1.00 0.00 H new ATOM 0 HA LYS A 24 37.680 36.597 61.576 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.038 38.558 63.173 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.817 38.098 61.496 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.125 35.827 62.152 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.500 36.153 63.832 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.756 37.909 63.909 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.409 37.665 62.209 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.046 35.444 64.255 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.784 36.610 63.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.289 34.966 62.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.317 35.930 61.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.909 34.512 62.128 1.00 0.00 H new ATOM 376 N ASN A 25 38.920 38.713 60.784 1.00 0.00 N ATOM 377 CA ASN A 25 39.950 39.678 60.390 1.00 0.00 C ATOM 378 C ASN A 25 39.509 40.164 58.969 1.00 0.00 C ATOM 379 O ASN A 25 39.362 39.363 58.050 1.00 0.00 O ATOM 380 CB ASN A 25 41.318 39.029 60.418 1.00 0.00 C ATOM 381 CG ASN A 25 42.416 40.043 60.268 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.053 40.492 61.201 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.617 40.440 59.001 1.00 0.00 N ATOM 0 H ASN A 25 38.522 38.185 60.007 1.00 0.00 H new ATOM 0 HA ASN A 25 40.039 40.527 61.068 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.446 38.490 61.357 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.389 38.294 59.616 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.326 41.143 58.793 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.061 40.038 58.246 1.00 0.00 H new ATOM 390 N ILE A 26 39.329 41.543 58.801 1.00 0.00 N ATOM 391 CA ILE A 26 38.318 42.004 57.797 1.00 0.00 C ATOM 392 C ILE A 26 38.744 43.137 56.787 1.00 0.00 C ATOM 393 O ILE A 26 38.009 43.494 55.867 1.00 0.00 O ATOM 394 CB ILE A 26 37.097 42.500 58.619 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.203 43.941 59.202 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.698 41.518 59.749 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.073 44.146 60.453 1.00 0.00 C ATOM 0 H ILE A 26 39.828 42.276 59.305 1.00 0.00 H new ATOM 0 HA ILE A 26 38.132 41.151 57.144 1.00 0.00 H new ATOM 0 HB ILE A 26 36.312 42.537 57.864 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.587 44.593 58.417 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.195 44.283 59.436 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.839 41.916 60.290 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.439 40.552 59.317 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.535 41.395 60.436 1.00 0.00 H new ATOM 0 HD11 ILE A 26 38.051 45.196 60.743 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.686 43.536 61.269 1.00 0.00 H new ATOM 0 HD13 ILE A 26 39.099 43.851 60.235 1.00 0.00 H new ATOM 409 N TRP A 27 39.964 43.707 57.024 1.00 0.00 N ATOM 410 CA TRP A 27 40.692 44.843 56.444 1.00 0.00 C ATOM 411 C TRP A 27 41.814 44.226 55.526 1.00 0.00 C ATOM 412 O TRP A 27 41.590 43.922 54.361 1.00 0.00 O ATOM 413 CB TRP A 27 41.265 45.739 57.610 1.00 0.00 C ATOM 414 CG TRP A 27 41.585 44.983 58.883 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.915 43.604 58.966 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.471 45.364 60.217 1.00 0.00 C ATOM 417 NE1 TRP A 27 41.889 43.115 60.232 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.667 44.233 61.016 1.00 0.00 C ATOM 419 CE3 TRP A 27 41.122 46.575 60.866 1.00 0.00 C ATOM 420 CZ2 TRP A 27 41.590 44.206 62.367 1.00 0.00 C ATOM 421 CZ3 TRP A 27 41.042 46.590 62.251 1.00 0.00 C ATOM 422 CH2 TRP A 27 41.287 45.419 62.999 1.00 0.00 C ATOM 0 H TRP A 27 40.542 43.294 57.756 1.00 0.00 H new ATOM 0 HA TRP A 27 40.059 45.495 55.842 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.170 46.235 57.259 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.542 46.522 57.839 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.163 43.002 58.104 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.006 42.148 60.535 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.922 47.469 60.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 41.753 43.298 62.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 40.790 47.507 62.762 1.00 0.00 H new ATOM 0 HH2 TRP A 27 41.240 45.458 64.077 1.00 0.00 H new ATOM 433 N THR A 28 43.071 44.066 56.094 1.00 0.00 N ATOM 434 CA THR A 28 44.208 43.386 55.469 1.00 0.00 C ATOM 435 C THR A 28 44.938 44.270 54.390 1.00 0.00 C ATOM 436 O THR A 28 45.983 43.826 53.910 1.00 0.00 O ATOM 437 CB THR A 28 43.954 41.968 54.900 1.00 0.00 C ATOM 438 OG1 THR A 28 45.170 41.297 54.554 1.00 0.00 O ATOM 439 CG2 THR A 28 43.106 40.988 55.723 1.00 0.00 C ATOM 0 H THR A 28 43.293 44.427 57.022 1.00 0.00 H new ATOM 0 HA THR A 28 44.862 43.235 56.328 1.00 0.00 H new ATOM 0 HB THR A 28 43.348 42.220 54.030 1.00 0.00 H new ATOM 0 HG1 THR A 28 45.817 41.948 54.211 1.00 0.00 H new ATOM 0 HG21 THR A 28 43.022 40.042 55.188 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.581 40.818 56.689 1.00 0.00 H new ATOM 0 HG23 THR A 28 42.112 41.407 55.877 1.00 0.00 H new ATOM 447 N PHE A 29 44.451 45.513 54.005 1.00 0.00 N ATOM 448 CA PHE A 29 45.065 46.427 53.008 1.00 0.00 C ATOM 449 C PHE A 29 44.543 46.124 51.574 1.00 0.00 C ATOM 450 O PHE A 29 44.300 47.066 50.817 1.00 0.00 O ATOM 451 CB PHE A 29 46.602 46.594 53.035 1.00 0.00 C ATOM 452 CG PHE A 29 47.067 47.134 54.375 1.00 0.00 C ATOM 453 CD1 PHE A 29 46.862 48.480 54.696 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.696 46.326 55.328 1.00 0.00 C ATOM 455 CE1 PHE A 29 47.253 49.006 55.926 1.00 0.00 C ATOM 456 CE2 PHE A 29 48.095 46.835 56.565 1.00 0.00 C ATOM 457 CZ PHE A 29 47.872 48.182 56.873 1.00 0.00 C ATOM 0 H PHE A 29 43.595 45.898 54.404 1.00 0.00 H new ATOM 0 HA PHE A 29 44.722 47.409 53.334 1.00 0.00 H new ATOM 0 HB2 PHE A 29 47.079 45.633 52.841 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.912 47.271 52.239 1.00 0.00 H new ATOM 0 HD1 PHE A 29 46.389 49.128 53.973 1.00 0.00 H new ATOM 0 HD2 PHE A 29 47.877 45.286 55.102 1.00 0.00 H new ATOM 0 HE1 PHE A 29 47.079 50.048 56.148 1.00 0.00 H new ATOM 0 HE2 PHE A 29 48.576 46.189 57.285 1.00 0.00 H new ATOM 0 HZ PHE A 29 48.174 48.581 57.830 1.00 0.00 H new ATOM 467 N ASP A 30 44.348 44.809 51.209 1.00 0.00 N ATOM 468 CA ASP A 30 43.716 44.372 49.970 1.00 0.00 C ATOM 469 C ASP A 30 42.145 44.422 50.086 1.00 0.00 C ATOM 470 O ASP A 30 41.482 44.327 49.052 1.00 0.00 O ATOM 471 CB ASP A 30 44.230 43.003 49.488 1.00 0.00 C ATOM 472 CG ASP A 30 44.099 41.791 50.449 1.00 0.00 C ATOM 473 OD1 ASP A 30 44.028 42.048 51.653 1.00 0.00 O ATOM 474 OD2 ASP A 30 44.135 40.677 49.911 1.00 0.00 O ATOM 0 H ASP A 30 44.642 44.031 51.799 1.00 0.00 H new ATOM 0 HA ASP A 30 44.007 45.080 49.195 1.00 0.00 H new ATOM 0 HB2 ASP A 30 43.704 42.755 48.566 1.00 0.00 H new ATOM 0 HB3 ASP A 30 45.284 43.114 49.233 1.00 0.00 H new ATOM 479 N ASN A 31 41.526 44.636 51.317 1.00 0.00 N ATOM 480 CA ASN A 31 40.089 44.836 51.558 1.00 0.00 C ATOM 481 C ASN A 31 39.404 43.437 51.489 1.00 0.00 C ATOM 482 O ASN A 31 38.699 43.143 50.525 1.00 0.00 O ATOM 483 CB ASN A 31 39.429 45.914 50.675 1.00 0.00 C ATOM 484 CG ASN A 31 40.220 47.216 50.711 1.00 0.00 C ATOM 485 OD1 ASN A 31 40.154 48.012 51.630 1.00 0.00 O ATOM 486 ND2 ASN A 31 41.004 47.425 49.630 1.00 0.00 N ATOM 0 H ASN A 31 42.066 44.669 52.182 1.00 0.00 H new ATOM 0 HA ASN A 31 39.949 45.261 52.552 1.00 0.00 H new ATOM 0 HB2 ASN A 31 39.361 45.555 49.648 1.00 0.00 H new ATOM 0 HB3 ASN A 31 38.410 46.095 51.018 1.00 0.00 H new ATOM 0 HD21 ASN A 31 41.567 48.273 49.564 1.00 0.00 H new ATOM 0 HD22 ASN A 31 41.033 46.735 48.880 1.00 0.00 H new ATOM 493 N ILE A 32 39.569 42.581 52.577 1.00 0.00 N ATOM 494 CA ILE A 32 38.998 41.239 52.482 1.00 0.00 C ATOM 495 C ILE A 32 38.879 40.514 53.869 1.00 0.00 C ATOM 496 O ILE A 32 39.605 40.806 54.819 1.00 0.00 O ATOM 497 CB ILE A 32 39.819 40.310 51.532 1.00 0.00 C ATOM 498 CG1 ILE A 32 39.027 39.186 50.823 1.00 0.00 C ATOM 499 CG2 ILE A 32 41.046 39.722 52.265 1.00 0.00 C ATOM 500 CD1 ILE A 32 37.902 39.663 49.887 1.00 0.00 C ATOM 0 H ILE A 32 40.056 42.803 53.445 1.00 0.00 H new ATOM 0 HA ILE A 32 37.999 41.404 52.077 1.00 0.00 H new ATOM 0 HB ILE A 32 40.134 40.972 50.725 1.00 0.00 H new ATOM 0 HG12 ILE A 32 39.726 38.581 50.245 1.00 0.00 H new ATOM 0 HG13 ILE A 32 38.594 38.535 51.582 1.00 0.00 H new ATOM 0 HG21 ILE A 32 41.603 39.078 51.584 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.690 40.533 52.605 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.712 39.139 53.124 1.00 0.00 H new ATOM 0 HD11 ILE A 32 37.409 38.799 49.440 1.00 0.00 H new ATOM 0 HD12 ILE A 32 37.175 40.241 50.457 1.00 0.00 H new ATOM 0 HD13 ILE A 32 38.324 40.287 49.099 1.00 0.00 H new ATOM 512 N ILE A 33 37.942 39.487 53.934 1.00 0.00 N ATOM 513 CA ILE A 33 37.790 38.660 55.148 1.00 0.00 C ATOM 514 C ILE A 33 38.813 37.466 54.976 1.00 0.00 C ATOM 515 O ILE A 33 38.582 36.507 54.244 1.00 0.00 O ATOM 516 CB ILE A 33 36.373 38.143 55.447 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.196 39.154 55.351 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.327 37.411 56.806 1.00 0.00 C ATOM 519 CD1 ILE A 33 35.218 40.369 56.296 1.00 0.00 C ATOM 0 H ILE A 33 37.312 39.239 53.171 1.00 0.00 H new ATOM 0 HA ILE A 33 37.993 39.286 56.017 1.00 0.00 H new ATOM 0 HB ILE A 33 36.194 37.460 54.616 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.156 39.526 54.327 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.269 38.608 55.528 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.314 37.055 56.994 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.011 36.563 56.786 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.623 38.097 57.599 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.337 40.985 56.117 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.216 40.025 57.330 1.00 0.00 H new ATOM 0 HD13 ILE A 33 36.116 40.958 56.111 1.00 0.00 H new ATOM 531 N ARG A 34 40.006 37.527 55.676 1.00 0.00 N ATOM 532 CA ARG A 34 41.052 36.504 55.531 1.00 0.00 C ATOM 533 C ARG A 34 41.741 36.562 56.924 1.00 0.00 C ATOM 534 O ARG A 34 42.377 37.517 57.362 1.00 0.00 O ATOM 535 CB ARG A 34 41.989 36.720 54.343 1.00 0.00 C ATOM 536 CG ARG A 34 43.174 35.746 54.198 1.00 0.00 C ATOM 537 CD ARG A 34 43.815 35.857 52.800 1.00 0.00 C ATOM 538 NE ARG A 34 44.314 37.161 52.300 1.00 0.00 N ATOM 539 CZ ARG A 34 44.619 38.264 52.963 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.894 38.257 54.240 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.668 39.393 52.320 1.00 0.00 N ATOM 0 H ARG A 34 40.240 38.273 56.331 1.00 0.00 H new ATOM 0 HA ARG A 34 40.663 35.516 55.286 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.395 36.669 53.430 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.389 37.732 54.407 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.921 35.961 54.962 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.832 34.725 54.365 1.00 0.00 H new ATOM 0 HD2 ARG A 34 44.654 35.161 52.775 1.00 0.00 H new ATOM 0 HD3 ARG A 34 43.080 35.497 52.080 1.00 0.00 H new ATOM 0 HE ARG A 34 44.442 37.216 51.289 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.878 37.380 54.760 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.125 39.129 54.717 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.473 39.419 51.319 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.902 40.253 52.816 1.00 0.00 H new ATOM 555 N ARG A 35 41.496 35.416 57.655 1.00 0.00 N ATOM 556 CA ARG A 35 41.530 35.354 59.107 1.00 0.00 C ATOM 557 C ARG A 35 42.040 33.970 59.614 1.00 0.00 C ATOM 558 O ARG A 35 42.619 33.215 58.835 1.00 0.00 O ATOM 559 CB ARG A 35 40.082 35.712 59.544 1.00 0.00 C ATOM 560 CG ARG A 35 39.010 34.726 58.988 1.00 0.00 C ATOM 561 CD ARG A 35 37.479 34.905 59.238 1.00 0.00 C ATOM 562 NE ARG A 35 36.742 34.392 60.410 1.00 0.00 N ATOM 563 CZ ARG A 35 37.012 33.356 61.188 1.00 0.00 C ATOM 564 NH1 ARG A 35 38.231 33.047 61.514 1.00 0.00 N ATOM 565 NH2 ARG A 35 36.016 32.631 61.623 1.00 0.00 N ATOM 0 H ARG A 35 41.271 34.522 57.219 1.00 0.00 H new ATOM 0 HA ARG A 35 42.241 36.050 59.552 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.029 35.719 60.633 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.847 36.722 59.207 1.00 0.00 H new ATOM 0 HG2 ARG A 35 39.146 34.699 57.907 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.272 33.738 59.367 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.297 35.980 59.218 1.00 0.00 H new ATOM 0 HD3 ARG A 35 36.983 34.482 58.365 1.00 0.00 H new ATOM 0 HE ARG A 35 35.900 34.913 60.656 1.00 0.00 H new ATOM 0 HH11 ARG A 35 39.009 33.609 61.169 1.00 0.00 H new ATOM 0 HH12 ARG A 35 38.410 32.243 62.115 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.059 32.869 61.361 1.00 0.00 H new ATOM 0 HH22 ARG A 35 36.195 31.827 62.224 1.00 0.00 H new ATOM 579 N GLY A 36 41.867 33.659 60.963 1.00 0.00 N ATOM 580 CA GLY A 36 42.486 32.378 61.342 1.00 0.00 C ATOM 581 C GLY A 36 42.441 31.928 62.812 1.00 0.00 C ATOM 582 O GLY A 36 41.779 32.542 63.640 1.00 0.00 O ATOM 0 H GLY A 36 41.381 34.197 61.681 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.015 31.597 60.745 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.534 32.419 61.043 1.00 0.00 H new ATOM 586 N CYS A 37 43.165 30.773 63.092 1.00 0.00 N ATOM 587 CA CYS A 37 43.298 30.261 64.465 1.00 0.00 C ATOM 588 C CYS A 37 44.488 31.006 65.150 1.00 0.00 C ATOM 589 O CYS A 37 45.629 31.023 64.692 1.00 0.00 O ATOM 590 CB CYS A 37 43.477 28.714 64.651 1.00 0.00 C ATOM 591 SG CYS A 37 45.013 28.037 63.933 1.00 0.00 S ATOM 0 H CYS A 37 43.642 30.214 62.385 1.00 0.00 H new ATOM 0 HA CYS A 37 42.331 30.460 64.928 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.457 28.484 65.716 1.00 0.00 H new ATOM 0 HB3 CYS A 37 42.625 28.206 64.199 1.00 0.00 H new ATOM 596 N GLY A 38 44.167 31.687 66.315 1.00 0.00 N ATOM 597 CA GLY A 38 45.223 32.333 67.079 1.00 0.00 C ATOM 598 C GLY A 38 44.560 32.602 68.438 1.00 0.00 C ATOM 599 O GLY A 38 44.631 31.801 69.365 1.00 0.00 O ATOM 0 H GLY A 38 43.227 31.781 66.700 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.098 31.691 67.178 1.00 0.00 H new ATOM 0 HA3 GLY A 38 45.557 33.256 66.604 1.00 0.00 H new ATOM 603 N CYS A 39 43.868 33.798 68.521 1.00 0.00 N ATOM 604 CA CYS A 39 43.120 34.219 69.706 1.00 0.00 C ATOM 605 C CYS A 39 44.093 34.794 70.780 1.00 0.00 C ATOM 606 O CYS A 39 43.876 35.865 71.343 1.00 0.00 O ATOM 607 CB CYS A 39 42.011 35.178 69.258 1.00 0.00 C ATOM 608 SG CYS A 39 41.022 35.892 70.601 1.00 0.00 S ATOM 0 H CYS A 39 43.832 34.472 67.757 1.00 0.00 H new ATOM 0 HA CYS A 39 42.630 33.378 70.198 1.00 0.00 H new ATOM 0 HB2 CYS A 39 42.463 35.990 68.689 1.00 0.00 H new ATOM 0 HB3 CYS A 39 41.344 34.646 68.580 1.00 0.00 H new ATOM 613 N PHE A 40 45.198 34.016 71.059 1.00 0.00 N ATOM 614 CA PHE A 40 46.172 34.329 72.107 1.00 0.00 C ATOM 615 C PHE A 40 47.216 35.226 71.347 1.00 0.00 C ATOM 616 O PHE A 40 48.337 34.814 71.062 1.00 0.00 O ATOM 617 CB PHE A 40 46.651 33.002 72.769 1.00 0.00 C ATOM 618 CG PHE A 40 45.503 31.995 72.968 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.231 32.403 73.399 1.00 0.00 C ATOM 620 CD2 PHE A 40 45.650 30.646 72.612 1.00 0.00 C ATOM 621 CE1 PHE A 40 43.140 31.537 73.405 1.00 0.00 C ATOM 622 CE2 PHE A 40 44.570 29.762 72.630 1.00 0.00 C ATOM 623 CZ PHE A 40 43.304 30.206 73.020 1.00 0.00 C ATOM 0 H PHE A 40 45.414 33.160 70.548 1.00 0.00 H new ATOM 0 HA PHE A 40 45.827 34.886 72.978 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.424 32.549 72.149 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.106 33.225 73.734 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.094 33.420 73.736 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.623 30.282 72.317 1.00 0.00 H new ATOM 0 HE1 PHE A 40 42.167 31.896 73.708 1.00 0.00 H new ATOM 0 HE2 PHE A 40 44.713 28.731 72.341 1.00 0.00 H new ATOM 0 HZ PHE A 40 42.463 29.528 73.023 1.00 0.00 H new ATOM 633 N THR A 41 46.773 36.508 71.023 1.00 0.00 N ATOM 634 CA THR A 41 47.561 37.506 70.257 1.00 0.00 C ATOM 635 C THR A 41 47.961 38.670 71.232 1.00 0.00 C ATOM 636 O THR A 41 47.111 39.335 71.824 1.00 0.00 O ATOM 637 CB THR A 41 46.920 38.188 69.012 1.00 0.00 C ATOM 638 OG1 THR A 41 47.753 39.200 68.428 1.00 0.00 O ATOM 639 CG2 THR A 41 46.599 37.188 67.893 1.00 0.00 C ATOM 0 H THR A 41 45.854 36.854 71.298 1.00 0.00 H new ATOM 0 HA THR A 41 48.377 36.905 69.856 1.00 0.00 H new ATOM 0 HB THR A 41 46.007 38.636 69.405 1.00 0.00 H new ATOM 0 HG1 THR A 41 47.299 39.590 67.652 1.00 0.00 H new ATOM 0 HG21 THR A 41 46.154 37.716 67.050 1.00 0.00 H new ATOM 0 HG22 THR A 41 47.517 36.696 67.570 1.00 0.00 H new ATOM 0 HG23 THR A 41 45.898 36.440 68.263 1.00 0.00 H new ATOM 647 N PRO A 42 49.310 38.996 71.308 1.00 0.00 N ATOM 648 CA PRO A 42 49.756 40.183 72.046 1.00 0.00 C ATOM 649 C PRO A 42 49.314 41.493 71.311 1.00 0.00 C ATOM 650 O PRO A 42 49.158 41.509 70.088 1.00 0.00 O ATOM 651 CB PRO A 42 51.303 40.118 72.019 1.00 0.00 C ATOM 652 CG PRO A 42 51.611 38.632 71.765 1.00 0.00 C ATOM 653 CD PRO A 42 50.449 38.188 70.875 1.00 0.00 C ATOM 0 HA PRO A 42 49.337 40.198 73.052 1.00 0.00 H new ATOM 0 HB2 PRO A 42 51.715 40.751 71.233 1.00 0.00 H new ATOM 0 HB3 PRO A 42 51.733 40.459 72.961 1.00 0.00 H new ATOM 0 HG2 PRO A 42 52.573 38.498 71.270 1.00 0.00 H new ATOM 0 HG3 PRO A 42 51.648 38.063 72.694 1.00 0.00 H new ATOM 0 HD2 PRO A 42 50.673 38.354 69.821 1.00 0.00 H new ATOM 0 HD3 PRO A 42 50.246 37.124 70.993 1.00 0.00 H new ATOM 661 N ARG A 43 49.146 42.630 72.089 1.00 0.00 N ATOM 662 CA ARG A 43 48.816 43.931 71.462 1.00 0.00 C ATOM 663 C ARG A 43 50.232 44.573 71.326 1.00 0.00 C ATOM 664 O ARG A 43 50.681 45.282 72.229 1.00 0.00 O ATOM 665 CB ARG A 43 47.855 44.860 72.244 1.00 0.00 C ATOM 666 CG ARG A 43 47.476 46.166 71.498 1.00 0.00 C ATOM 667 CD ARG A 43 46.677 47.200 72.336 1.00 0.00 C ATOM 668 NE ARG A 43 47.371 48.091 73.302 1.00 0.00 N ATOM 669 CZ ARG A 43 48.513 48.719 73.062 1.00 0.00 C ATOM 670 NH1 ARG A 43 49.654 48.085 73.070 1.00 0.00 N ATOM 671 NH2 ARG A 43 48.514 50.004 72.816 1.00 0.00 N ATOM 0 H ARG A 43 49.233 42.653 73.105 1.00 0.00 H new ATOM 0 HA ARG A 43 48.256 43.785 70.538 1.00 0.00 H new ATOM 0 HB2 ARG A 43 46.943 44.309 72.473 1.00 0.00 H new ATOM 0 HB3 ARG A 43 48.317 45.121 73.196 1.00 0.00 H new ATOM 0 HG2 ARG A 43 48.391 46.640 71.142 1.00 0.00 H new ATOM 0 HG3 ARG A 43 46.889 45.905 70.618 1.00 0.00 H new ATOM 0 HD2 ARG A 43 46.146 47.841 71.633 1.00 0.00 H new ATOM 0 HD3 ARG A 43 45.923 46.646 72.895 1.00 0.00 H new ATOM 0 HE ARG A 43 46.937 48.229 74.215 1.00 0.00 H new ATOM 0 HH11 ARG A 43 49.680 47.084 73.264 1.00 0.00 H new ATOM 0 HH12 ARG A 43 50.520 48.591 72.882 1.00 0.00 H new ATOM 0 HH21 ARG A 43 47.636 50.523 72.809 1.00 0.00 H new ATOM 0 HH22 ARG A 43 49.393 50.487 72.631 1.00 0.00 H new ATOM 685 N GLY A 44 50.955 44.328 70.164 1.00 0.00 N ATOM 686 CA GLY A 44 52.297 44.902 69.980 1.00 0.00 C ATOM 687 C GLY A 44 52.214 46.348 69.444 1.00 0.00 C ATOM 688 O GLY A 44 52.972 46.693 68.542 1.00 0.00 O ATOM 0 H GLY A 44 50.622 43.757 69.387 1.00 0.00 H new ATOM 0 HA2 GLY A 44 52.833 44.893 70.929 1.00 0.00 H new ATOM 0 HA3 GLY A 44 52.868 44.285 69.285 1.00 0.00 H new ATOM 692 N ASP A 45 51.282 47.193 70.021 1.00 0.00 N ATOM 693 CA ASP A 45 51.023 48.566 69.591 1.00 0.00 C ATOM 694 C ASP A 45 50.697 48.461 68.060 1.00 0.00 C ATOM 695 O ASP A 45 51.235 49.165 67.212 1.00 0.00 O ATOM 696 CB ASP A 45 52.091 49.593 70.053 1.00 0.00 C ATOM 697 CG ASP A 45 51.887 49.753 71.587 1.00 0.00 C ATOM 698 OD1 ASP A 45 51.011 50.564 71.910 1.00 0.00 O ATOM 699 OD2 ASP A 45 52.497 48.966 72.314 1.00 0.00 O ATOM 0 H ASP A 45 50.698 46.906 70.806 1.00 0.00 H new ATOM 0 HA ASP A 45 50.165 49.015 70.092 1.00 0.00 H new ATOM 0 HB2 ASP A 45 53.097 49.240 69.827 1.00 0.00 H new ATOM 0 HB3 ASP A 45 51.965 50.546 69.540 1.00 0.00 H new ATOM 704 N MET A 46 49.683 47.558 67.774 1.00 0.00 N ATOM 705 CA MET A 46 49.248 47.163 66.439 1.00 0.00 C ATOM 706 C MET A 46 47.797 46.599 66.696 1.00 0.00 C ATOM 707 O MET A 46 47.629 45.660 67.480 1.00 0.00 O ATOM 708 CB MET A 46 50.147 46.071 65.822 1.00 0.00 C ATOM 709 CG MET A 46 49.839 45.602 64.390 1.00 0.00 C ATOM 710 SD MET A 46 50.205 46.826 63.101 1.00 0.00 S ATOM 711 CE MET A 46 50.209 45.704 61.684 1.00 0.00 C ATOM 0 H MET A 46 49.153 47.092 68.511 1.00 0.00 H new ATOM 0 HA MET A 46 49.288 47.991 65.732 1.00 0.00 H new ATOM 0 HB2 MET A 46 51.174 46.436 65.840 1.00 0.00 H new ATOM 0 HB3 MET A 46 50.107 45.199 66.474 1.00 0.00 H new ATOM 0 HG2 MET A 46 50.412 44.697 64.187 1.00 0.00 H new ATOM 0 HG3 MET A 46 48.785 45.333 64.328 1.00 0.00 H new ATOM 0 HE1 MET A 46 50.419 46.267 60.775 1.00 0.00 H new ATOM 0 HE2 MET A 46 50.977 44.943 61.825 1.00 0.00 H new ATOM 0 HE3 MET A 46 49.234 45.224 61.597 1.00 0.00 H new ATOM 721 N PRO A 47 46.706 47.158 66.029 1.00 0.00 N ATOM 722 CA PRO A 47 45.342 46.681 66.327 1.00 0.00 C ATOM 723 C PRO A 47 45.185 45.163 65.990 1.00 0.00 C ATOM 724 O PRO A 47 45.540 44.690 64.911 1.00 0.00 O ATOM 725 CB PRO A 47 44.403 47.533 65.455 1.00 0.00 C ATOM 726 CG PRO A 47 45.170 48.860 65.368 1.00 0.00 C ATOM 727 CD PRO A 47 46.629 48.393 65.247 1.00 0.00 C ATOM 0 HA PRO A 47 45.112 46.783 67.388 1.00 0.00 H new ATOM 0 HB2 PRO A 47 44.243 47.089 64.473 1.00 0.00 H new ATOM 0 HB3 PRO A 47 43.422 47.658 65.913 1.00 0.00 H new ATOM 0 HG2 PRO A 47 44.861 49.452 64.507 1.00 0.00 H new ATOM 0 HG3 PRO A 47 45.014 49.478 66.252 1.00 0.00 H new ATOM 0 HD2 PRO A 47 46.900 48.217 64.206 1.00 0.00 H new ATOM 0 HD3 PRO A 47 47.316 49.146 65.633 1.00 0.00 H new ATOM 735 N GLY A 48 44.615 44.367 66.976 1.00 0.00 N ATOM 736 CA GLY A 48 44.391 42.938 66.753 1.00 0.00 C ATOM 737 C GLY A 48 43.035 42.645 66.063 1.00 0.00 C ATOM 738 O GLY A 48 42.166 43.505 65.931 1.00 0.00 O ATOM 0 H GLY A 48 44.322 44.707 67.892 1.00 0.00 H new ATOM 0 HA2 GLY A 48 45.199 42.539 66.140 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.428 42.415 67.709 1.00 0.00 H new ATOM 742 N PRO A 49 42.883 41.337 65.641 1.00 0.00 N ATOM 743 CA PRO A 49 41.598 40.847 65.149 1.00 0.00 C ATOM 744 C PRO A 49 40.573 40.761 66.334 1.00 0.00 C ATOM 745 O PRO A 49 40.912 41.017 67.490 1.00 0.00 O ATOM 746 CB PRO A 49 41.951 39.435 64.678 1.00 0.00 C ATOM 747 CG PRO A 49 42.972 38.977 65.728 1.00 0.00 C ATOM 748 CD PRO A 49 43.830 40.236 65.845 1.00 0.00 C ATOM 0 HA PRO A 49 41.150 41.477 64.380 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.076 38.785 64.653 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.375 39.437 63.674 1.00 0.00 H new ATOM 0 HG2 PRO A 49 42.502 38.706 66.673 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.547 38.112 65.398 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.312 40.301 66.821 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.623 40.249 65.097 1.00 0.00 H new ATOM 756 N TYR A 50 39.291 40.347 66.015 1.00 0.00 N ATOM 757 CA TYR A 50 38.254 40.243 67.067 1.00 0.00 C ATOM 758 C TYR A 50 37.672 38.786 67.104 1.00 0.00 C ATOM 759 O TYR A 50 37.408 38.170 66.073 1.00 0.00 O ATOM 760 CB TYR A 50 37.159 41.351 66.952 1.00 0.00 C ATOM 761 CG TYR A 50 36.227 41.167 65.781 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.494 41.700 64.523 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.031 40.477 65.950 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.589 41.583 63.477 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.114 40.349 64.923 1.00 0.00 C ATOM 766 CZ TYR A 50 34.368 40.928 63.668 1.00 0.00 C ATOM 767 OH TYR A 50 33.422 40.823 62.689 1.00 0.00 O ATOM 0 H TYR A 50 38.980 40.095 65.077 1.00 0.00 H new ATOM 0 HA TYR A 50 38.725 40.432 68.032 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.574 41.367 67.871 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.646 42.323 66.868 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.428 42.217 64.357 1.00 0.00 H new ATOM 0 HD2 TYR A 50 34.813 40.030 66.908 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.829 42.000 62.510 1.00 0.00 H new ATOM 0 HE2 TYR A 50 33.198 39.801 65.086 1.00 0.00 H new ATOM 0 HH TYR A 50 32.649 40.328 63.032 1.00 0.00 H new ATOM 777 N CYS A 51 37.472 38.222 68.368 1.00 0.00 N ATOM 778 CA CYS A 51 37.341 36.757 68.498 1.00 0.00 C ATOM 779 C CYS A 51 36.017 36.159 69.067 1.00 0.00 C ATOM 780 O CYS A 51 35.164 36.807 69.661 1.00 0.00 O ATOM 781 CB CYS A 51 38.463 36.240 69.431 1.00 0.00 C ATOM 782 SG CYS A 51 40.035 37.139 69.289 1.00 0.00 S ATOM 0 H CYS A 51 37.406 38.747 69.240 1.00 0.00 H new ATOM 0 HA CYS A 51 37.383 36.432 67.458 1.00 0.00 H new ATOM 0 HB2 CYS A 51 38.117 36.300 70.463 1.00 0.00 H new ATOM 0 HB3 CYS A 51 38.641 35.186 69.215 1.00 0.00 H new ATOM 787 N CYS A 52 35.984 34.797 68.867 1.00 0.00 N ATOM 788 CA CYS A 52 34.964 33.850 69.281 1.00 0.00 C ATOM 789 C CYS A 52 35.689 32.541 69.745 1.00 0.00 C ATOM 790 O CYS A 52 36.788 32.213 69.295 1.00 0.00 O ATOM 791 CB CYS A 52 34.096 33.573 68.066 1.00 0.00 C ATOM 792 SG CYS A 52 32.504 32.740 68.275 1.00 0.00 S ATOM 0 H CYS A 52 36.742 34.329 68.371 1.00 0.00 H new ATOM 0 HA CYS A 52 34.349 34.229 70.098 1.00 0.00 H new ATOM 0 HB2 CYS A 52 33.902 34.529 67.579 1.00 0.00 H new ATOM 0 HB3 CYS A 52 34.688 32.976 67.372 1.00 0.00 H new ATOM 797 N GLU A 53 35.016 31.753 70.651 1.00 0.00 N ATOM 798 CA GLU A 53 35.601 30.496 71.169 1.00 0.00 C ATOM 799 C GLU A 53 34.656 29.325 70.769 1.00 0.00 C ATOM 800 O GLU A 53 34.329 28.453 71.572 1.00 0.00 O ATOM 801 CB GLU A 53 35.977 30.581 72.664 1.00 0.00 C ATOM 802 CG GLU A 53 34.846 30.954 73.638 1.00 0.00 C ATOM 803 CD GLU A 53 35.385 31.003 75.062 1.00 0.00 C ATOM 804 OE1 GLU A 53 35.877 31.977 75.600 1.00 0.00 O ATOM 805 OE2 GLU A 53 35.252 29.829 75.677 1.00 0.00 O ATOM 0 H GLU A 53 34.091 31.972 71.021 1.00 0.00 H new ATOM 0 HA GLU A 53 36.569 30.302 70.708 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.385 29.617 72.968 1.00 0.00 H new ATOM 0 HB3 GLU A 53 36.776 31.314 72.773 1.00 0.00 H new ATOM 0 HG2 GLU A 53 34.424 31.921 73.366 1.00 0.00 H new ATOM 0 HG3 GLU A 53 34.040 30.224 73.570 1.00 0.00 H new ATOM 813 N SER A 54 34.294 29.287 69.433 1.00 0.00 N ATOM 814 CA SER A 54 33.331 28.326 68.893 1.00 0.00 C ATOM 815 C SER A 54 33.801 27.725 67.524 1.00 0.00 C ATOM 816 O SER A 54 34.856 28.068 66.994 1.00 0.00 O ATOM 817 CB SER A 54 31.911 28.952 68.793 1.00 0.00 C ATOM 818 OG SER A 54 30.916 27.962 68.543 1.00 0.00 O ATOM 0 H SER A 54 34.673 29.925 68.733 1.00 0.00 H new ATOM 0 HA SER A 54 33.276 27.493 69.594 1.00 0.00 H new ATOM 0 HB2 SER A 54 31.678 29.476 69.720 1.00 0.00 H new ATOM 0 HB3 SER A 54 31.895 29.694 67.994 1.00 0.00 H new ATOM 0 HG SER A 54 30.036 28.389 68.488 1.00 0.00 H new ATOM 824 N ASP A 55 32.981 26.736 67.015 1.00 0.00 N ATOM 825 CA ASP A 55 33.262 26.021 65.768 1.00 0.00 C ATOM 826 C ASP A 55 32.690 26.903 64.590 1.00 0.00 C ATOM 827 O ASP A 55 31.497 27.199 64.532 1.00 0.00 O ATOM 828 CB ASP A 55 32.616 24.620 65.795 1.00 0.00 C ATOM 829 CG ASP A 55 33.077 23.726 64.624 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.229 23.917 64.212 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.251 22.911 64.202 1.00 0.00 O ATOM 0 H ASP A 55 32.121 26.435 67.474 1.00 0.00 H new ATOM 0 HA ASP A 55 34.333 25.868 65.633 1.00 0.00 H new ATOM 0 HB2 ASP A 55 32.860 24.130 66.738 1.00 0.00 H new ATOM 0 HB3 ASP A 55 31.532 24.724 65.761 1.00 0.00 H new ATOM 836 N LYS A 56 33.589 27.357 63.627 1.00 0.00 N ATOM 837 CA LYS A 56 33.285 28.217 62.481 1.00 0.00 C ATOM 838 C LYS A 56 33.069 29.680 62.983 1.00 0.00 C ATOM 839 O LYS A 56 33.850 30.567 62.640 1.00 0.00 O ATOM 840 CB LYS A 56 32.197 27.780 61.470 1.00 0.00 C ATOM 841 CG LYS A 56 32.620 26.506 60.699 1.00 0.00 C ATOM 842 CD LYS A 56 32.260 25.204 61.438 1.00 0.00 C ATOM 843 CE LYS A 56 32.947 23.941 60.885 1.00 0.00 C ATOM 844 NZ LYS A 56 33.317 22.998 62.036 1.00 0.00 N ATOM 0 H LYS A 56 34.576 27.103 63.662 1.00 0.00 H new ATOM 0 HA LYS A 56 34.170 28.123 61.851 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.262 27.594 61.998 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.009 28.589 60.764 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.141 26.505 59.720 1.00 0.00 H new ATOM 0 HG3 LYS A 56 33.696 26.533 60.527 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.524 25.314 62.490 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.180 25.063 61.393 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.283 23.432 60.186 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.843 24.218 60.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.718 22.120 61.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.019 23.458 62.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.465 22.775 62.590 1.00 0.00 H new ATOM 858 N CYS A 57 31.958 29.906 63.771 1.00 0.00 N ATOM 859 CA CYS A 57 31.556 31.172 64.382 1.00 0.00 C ATOM 860 C CYS A 57 30.868 32.114 63.313 1.00 0.00 C ATOM 861 O CYS A 57 30.889 33.335 63.473 1.00 0.00 O ATOM 862 CB CYS A 57 32.629 31.851 65.249 1.00 0.00 C ATOM 863 SG CYS A 57 31.940 33.162 66.337 1.00 0.00 S ATOM 0 H CYS A 57 31.305 29.154 63.991 1.00 0.00 H new ATOM 0 HA CYS A 57 30.798 30.931 65.128 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.123 31.098 65.863 1.00 0.00 H new ATOM 0 HB3 CYS A 57 33.391 32.285 64.602 1.00 0.00 H new ATOM 868 N ASN A 58 30.205 31.540 62.232 1.00 0.00 N ATOM 869 CA ASN A 58 29.401 32.279 61.255 1.00 0.00 C ATOM 870 C ASN A 58 30.332 33.341 60.591 1.00 0.00 C ATOM 871 O ASN A 58 30.186 34.540 60.826 1.00 0.00 O ATOM 872 CB ASN A 58 28.093 32.846 61.826 1.00 0.00 C ATOM 873 CG ASN A 58 27.295 31.813 62.612 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.129 31.875 63.816 1.00 0.00 O ATOM 875 ND2 ASN A 58 26.769 30.809 61.872 1.00 0.00 N ATOM 0 H ASN A 58 30.236 30.538 62.043 1.00 0.00 H new ATOM 0 HA ASN A 58 29.034 31.597 60.488 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.322 33.692 62.474 1.00 0.00 H new ATOM 0 HB3 ASN A 58 27.480 33.227 61.009 1.00 0.00 H new ATOM 0 HD21 ASN A 58 26.217 30.079 62.322 1.00 0.00 H new ATOM 0 HD22 ASN A 58 26.925 30.783 60.864 1.00 0.00 H new ATOM 882 N LEU A 59 31.286 32.847 59.716 1.00 0.00 N ATOM 883 CA LEU A 59 32.242 33.671 58.939 1.00 0.00 C ATOM 884 C LEU A 59 33.145 34.439 59.995 1.00 0.00 C ATOM 885 O LEU A 59 33.148 35.674 59.962 1.00 0.00 O ATOM 886 CB LEU A 59 31.541 34.554 57.895 1.00 0.00 C ATOM 887 CG LEU A 59 32.417 35.197 56.794 1.00 0.00 C ATOM 888 CD1 LEU A 59 32.950 34.182 55.753 1.00 0.00 C ATOM 889 CD2 LEU A 59 31.590 36.293 56.096 1.00 0.00 C ATOM 890 OXT LEU A 59 33.730 33.731 60.827 1.00 0.00 O ATOM 0 H LEU A 59 31.397 31.848 59.543 1.00 0.00 H new ATOM 0 HA LEU A 59 32.892 33.057 58.316 1.00 0.00 H new ATOM 0 HB2 LEU A 59 30.775 33.952 57.406 1.00 0.00 H new ATOM 0 HB3 LEU A 59 31.026 35.355 58.425 1.00 0.00 H new ATOM 0 HG LEU A 59 33.301 35.616 57.276 1.00 0.00 H new ATOM 0 HD11 LEU A 59 33.556 34.704 55.012 1.00 0.00 H new ATOM 0 HD12 LEU A 59 33.560 33.431 56.256 1.00 0.00 H new ATOM 0 HD13 LEU A 59 32.111 33.695 55.257 1.00 0.00 H new ATOM 0 HD21 LEU A 59 32.190 36.760 55.315 1.00 0.00 H new ATOM 0 HD22 LEU A 59 30.699 35.849 55.652 1.00 0.00 H new ATOM 0 HD23 LEU A 59 31.295 37.047 56.826 1.00 0.00 H new TER 902 LEU A 59