USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 384 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= 0.0564 K(o=1.3,f=-1.9) USER MOD Set 1.2: A 13 THR OG1 : rot -64:sc= 1.22 USER MOD Single : A 1 ARG N :NH3+ -173:sc= 0.86! (180deg=-0.111!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0.267 K(o=0.27,f=-0.34) USER MOD Single : A 9 THR OG1 : rot 20:sc= 0.639 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.577 K(o=-0.58,f=-2.1!) USER MOD Single : A 21 SER OG : rot 34:sc= 0.825 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= 3.2 (180deg=2.36) USER MOD Single : A 25 ASN : amide:sc= -5.35! C(o=-5.3!,f=-5.4!) USER MOD Single : A 28 THR OG1 : rot 90:sc= 0.322 USER MOD Single : A 31 ASN : amide:sc= 0.221 X(o=0.22,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0075 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= 1.01 (180deg=0.737) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.370 24.186 67.306 1.00 0.00 N ATOM 2 CA ARG A 1 40.026 23.979 66.598 1.00 0.00 C ATOM 3 C ARG A 1 40.157 24.591 65.169 1.00 0.00 C ATOM 4 O ARG A 1 41.245 25.008 64.788 1.00 0.00 O ATOM 5 CB ARG A 1 38.877 24.576 67.423 1.00 0.00 C ATOM 6 CG ARG A 1 38.477 23.692 68.626 1.00 0.00 C ATOM 7 CD ARG A 1 37.115 24.082 69.274 1.00 0.00 C ATOM 8 NE ARG A 1 37.094 24.761 70.594 1.00 0.00 N ATOM 9 CZ ARG A 1 37.694 25.899 70.910 1.00 0.00 C ATOM 10 NH1 ARG A 1 38.867 26.212 70.447 1.00 0.00 N ATOM 11 NH2 ARG A 1 37.082 26.734 71.708 1.00 0.00 N ATOM 0 H1 ARG A 1 41.362 23.687 68.218 1.00 0.00 H new ATOM 0 H2 ARG A 1 42.137 23.810 66.712 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.524 25.202 67.468 1.00 0.00 H new ATOM 0 HA ARG A 1 39.781 22.921 66.502 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.170 25.562 67.785 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.009 24.718 66.779 1.00 0.00 H new ATOM 0 HG2 ARG A 1 38.428 22.653 68.300 1.00 0.00 H new ATOM 0 HG3 ARG A 1 39.258 23.752 69.384 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.592 24.727 68.568 1.00 0.00 H new ATOM 0 HD3 ARG A 1 36.527 23.169 69.368 1.00 0.00 H new ATOM 0 HE ARG A 1 36.562 24.304 71.335 1.00 0.00 H new ATOM 0 HH11 ARG A 1 39.355 25.573 69.819 1.00 0.00 H new ATOM 0 HH12 ARG A 1 39.300 27.097 70.711 1.00 0.00 H new ATOM 0 HH21 ARG A 1 36.159 26.504 72.076 1.00 0.00 H new ATOM 0 HH22 ARG A 1 37.528 27.615 71.963 1.00 0.00 H new ATOM 27 N ILE A 2 39.034 24.575 64.355 1.00 0.00 N ATOM 28 CA ILE A 2 39.149 24.914 62.912 1.00 0.00 C ATOM 29 C ILE A 2 38.752 26.407 62.634 1.00 0.00 C ATOM 30 O ILE A 2 37.678 26.873 63.006 1.00 0.00 O ATOM 31 CB ILE A 2 38.303 24.019 61.961 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.503 22.501 62.215 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.596 24.321 60.472 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.435 21.872 63.124 1.00 0.00 C ATOM 0 H ILE A 2 38.093 24.341 64.670 1.00 0.00 H new ATOM 0 HA ILE A 2 40.202 24.736 62.692 1.00 0.00 H new ATOM 0 HB ILE A 2 37.266 24.269 62.187 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.503 21.980 61.258 1.00 0.00 H new ATOM 0 HG13 ILE A 2 39.484 22.344 62.663 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.985 23.674 59.842 1.00 0.00 H new ATOM 0 HG22 ILE A 2 38.360 25.364 60.259 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.650 24.138 60.264 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.646 20.810 63.252 1.00 0.00 H new ATOM 0 HD12 ILE A 2 37.449 22.365 64.096 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.452 21.994 62.669 1.00 0.00 H new ATOM 46 N CYS A 3 39.652 27.169 61.896 1.00 0.00 N ATOM 47 CA CYS A 3 39.294 28.503 61.409 1.00 0.00 C ATOM 48 C CYS A 3 39.866 28.679 59.950 1.00 0.00 C ATOM 49 O CYS A 3 40.866 28.064 59.584 1.00 0.00 O ATOM 50 CB CYS A 3 39.713 29.675 62.319 1.00 0.00 C ATOM 51 SG CYS A 3 39.697 29.215 64.096 1.00 0.00 S ATOM 0 H CYS A 3 40.594 26.865 61.649 1.00 0.00 H new ATOM 0 HA CYS A 3 38.205 28.551 61.412 1.00 0.00 H new ATOM 0 HB2 CYS A 3 40.713 30.009 62.041 1.00 0.00 H new ATOM 0 HB3 CYS A 3 39.040 30.517 62.157 1.00 0.00 H new ATOM 56 N TYR A 4 39.197 29.550 59.095 1.00 0.00 N ATOM 57 CA TYR A 4 39.494 29.511 57.644 1.00 0.00 C ATOM 58 C TYR A 4 40.368 30.690 57.130 1.00 0.00 C ATOM 59 O TYR A 4 40.299 31.805 57.638 1.00 0.00 O ATOM 60 CB TYR A 4 38.162 29.594 56.863 1.00 0.00 C ATOM 61 CG TYR A 4 37.074 28.689 57.420 1.00 0.00 C ATOM 62 CD1 TYR A 4 37.324 27.398 57.882 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.771 29.165 57.538 1.00 0.00 C ATOM 64 CE1 TYR A 4 36.328 26.609 58.427 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.758 28.400 58.095 1.00 0.00 C ATOM 66 CZ TYR A 4 35.016 27.100 58.539 1.00 0.00 C ATOM 67 OH TYR A 4 34.054 26.300 59.076 1.00 0.00 O ATOM 0 H TYR A 4 38.498 30.235 59.383 1.00 0.00 H new ATOM 0 HA TYR A 4 40.046 28.585 57.485 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.807 30.625 56.874 1.00 0.00 H new ATOM 0 HB3 TYR A 4 38.344 29.331 55.821 1.00 0.00 H new ATOM 0 HD1 TYR A 4 38.326 27.002 57.812 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.543 30.160 57.185 1.00 0.00 H new ATOM 0 HE1 TYR A 4 36.559 25.611 58.768 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.763 28.811 58.186 1.00 0.00 H new ATOM 0 HH TYR A 4 33.199 26.779 59.088 1.00 0.00 H new ATOM 77 N ASN A 5 41.125 30.439 55.996 1.00 0.00 N ATOM 78 CA ASN A 5 41.923 31.511 55.369 1.00 0.00 C ATOM 79 C ASN A 5 41.352 31.778 53.937 1.00 0.00 C ATOM 80 O ASN A 5 42.041 32.346 53.096 1.00 0.00 O ATOM 81 CB ASN A 5 43.416 31.179 55.395 1.00 0.00 C ATOM 82 CG ASN A 5 44.303 32.305 54.873 1.00 0.00 C ATOM 83 OD1 ASN A 5 45.017 32.194 53.894 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.268 33.443 55.602 1.00 0.00 N ATOM 0 H ASN A 5 41.184 29.533 55.531 1.00 0.00 H new ATOM 0 HA ASN A 5 41.838 32.438 55.937 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.709 30.942 56.418 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.591 30.284 54.798 1.00 0.00 H new ATOM 0 HD21 ASN A 5 44.850 34.237 55.336 1.00 0.00 H new ATOM 0 HD22 ASN A 5 43.660 33.507 56.418 1.00 0.00 H new ATOM 91 N HIS A 6 40.034 31.416 53.685 1.00 0.00 N ATOM 92 CA HIS A 6 39.318 31.506 52.424 1.00 0.00 C ATOM 93 C HIS A 6 38.944 32.972 51.986 1.00 0.00 C ATOM 94 O HIS A 6 39.271 33.936 52.669 1.00 0.00 O ATOM 95 CB HIS A 6 39.867 30.542 51.305 1.00 0.00 C ATOM 96 CG HIS A 6 41.137 30.986 50.656 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.214 30.118 50.394 1.00 0.00 N ATOM 98 CD2 HIS A 6 41.589 32.201 50.228 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.261 30.761 49.887 1.00 0.00 C ATOM 100 NE2 HIS A 6 42.884 32.041 49.761 1.00 0.00 N ATOM 0 H HIS A 6 39.444 31.036 54.426 1.00 0.00 H new ATOM 0 HA HIS A 6 38.332 31.086 52.621 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.025 29.556 51.742 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.103 30.431 50.536 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.033 33.127 50.250 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.221 30.338 49.629 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.464 32.787 49.378 1.00 0.00 H new ATOM 109 N LEU A 7 38.147 33.082 50.858 1.00 0.00 N ATOM 110 CA LEU A 7 37.605 34.328 50.309 1.00 0.00 C ATOM 111 C LEU A 7 38.662 35.192 49.528 1.00 0.00 C ATOM 112 O LEU A 7 39.730 34.722 49.143 1.00 0.00 O ATOM 113 CB LEU A 7 36.770 35.122 51.335 1.00 0.00 C ATOM 114 CG LEU A 7 35.635 34.400 52.105 1.00 0.00 C ATOM 115 CD1 LEU A 7 34.981 35.427 53.045 1.00 0.00 C ATOM 116 CD2 LEU A 7 34.540 33.779 51.223 1.00 0.00 C ATOM 0 H LEU A 7 37.874 32.265 50.312 1.00 0.00 H new ATOM 0 HA LEU A 7 36.895 34.025 49.539 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.460 35.531 52.074 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.325 35.968 50.812 1.00 0.00 H new ATOM 0 HG LEU A 7 36.099 33.565 52.631 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.176 34.949 53.603 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.727 35.810 53.741 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.576 36.251 52.458 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.793 33.298 51.855 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.065 34.560 50.629 1.00 0.00 H new ATOM 0 HD23 LEU A 7 34.985 33.038 50.559 1.00 0.00 H new ATOM 128 N GLY A 8 38.255 36.470 49.181 1.00 0.00 N ATOM 129 CA GLY A 8 39.068 37.360 48.339 1.00 0.00 C ATOM 130 C GLY A 8 38.707 37.159 46.859 1.00 0.00 C ATOM 131 O GLY A 8 38.439 38.099 46.118 1.00 0.00 O ATOM 0 H GLY A 8 37.371 36.879 49.483 1.00 0.00 H new ATOM 0 HA2 GLY A 8 38.900 38.398 48.625 1.00 0.00 H new ATOM 0 HA3 GLY A 8 40.127 37.154 48.495 1.00 0.00 H new ATOM 135 N THR A 9 38.800 35.850 46.441 1.00 0.00 N ATOM 136 CA THR A 9 38.620 35.409 45.069 1.00 0.00 C ATOM 137 C THR A 9 38.410 33.868 45.100 1.00 0.00 C ATOM 138 O THR A 9 37.555 33.348 44.385 1.00 0.00 O ATOM 139 CB THR A 9 39.821 35.759 44.142 1.00 0.00 C ATOM 140 OG1 THR A 9 39.835 37.148 43.790 1.00 0.00 O ATOM 141 CG2 THR A 9 39.876 34.998 42.812 1.00 0.00 C ATOM 0 H THR A 9 39.006 35.084 47.082 1.00 0.00 H new ATOM 0 HA THR A 9 37.760 35.932 44.651 1.00 0.00 H new ATOM 0 HB THR A 9 40.676 35.467 44.752 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.303 37.655 44.438 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.750 35.318 42.245 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.942 33.928 43.008 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.974 35.206 42.236 1.00 0.00 H new ATOM 149 N LYS A 10 39.210 33.135 45.961 1.00 0.00 N ATOM 150 CA LYS A 10 39.148 31.661 46.093 1.00 0.00 C ATOM 151 C LYS A 10 38.452 31.248 47.451 1.00 0.00 C ATOM 152 O LYS A 10 38.947 31.623 48.506 1.00 0.00 O ATOM 153 CB LYS A 10 40.560 31.024 46.105 1.00 0.00 C ATOM 154 CG LYS A 10 41.335 31.038 44.766 1.00 0.00 C ATOM 155 CD LYS A 10 40.544 30.394 43.610 1.00 0.00 C ATOM 156 CE LYS A 10 41.353 30.227 42.322 1.00 0.00 C ATOM 157 NZ LYS A 10 40.493 29.546 41.249 1.00 0.00 N ATOM 0 H LYS A 10 39.905 33.566 46.570 1.00 0.00 H new ATOM 0 HA LYS A 10 38.581 31.304 45.233 1.00 0.00 H new ATOM 0 HB2 LYS A 10 41.161 31.541 46.853 1.00 0.00 H new ATOM 0 HB3 LYS A 10 40.465 29.989 46.433 1.00 0.00 H new ATOM 0 HG2 LYS A 10 41.579 32.067 44.504 1.00 0.00 H new ATOM 0 HG3 LYS A 10 42.279 30.509 44.893 1.00 0.00 H new ATOM 0 HD2 LYS A 10 40.183 29.416 43.930 1.00 0.00 H new ATOM 0 HD3 LYS A 10 39.666 31.005 43.399 1.00 0.00 H new ATOM 0 HE2 LYS A 10 41.691 31.200 41.966 1.00 0.00 H new ATOM 0 HE3 LYS A 10 42.245 29.632 42.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 41.049 29.436 40.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 40.192 28.610 41.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 39.655 30.130 41.054 1.00 0.00 H new ATOM 171 N PRO A 11 37.363 30.356 47.448 1.00 0.00 N ATOM 172 CA PRO A 11 36.739 29.912 48.728 1.00 0.00 C ATOM 173 C PRO A 11 37.248 28.665 49.579 1.00 0.00 C ATOM 174 O PRO A 11 36.911 28.659 50.764 1.00 0.00 O ATOM 175 CB PRO A 11 35.295 29.525 48.345 1.00 0.00 C ATOM 176 CG PRO A 11 34.960 30.520 47.239 1.00 0.00 C ATOM 177 CD PRO A 11 36.278 30.548 46.459 1.00 0.00 C ATOM 0 HA PRO A 11 36.965 30.754 49.383 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.232 28.495 47.995 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.614 29.616 49.191 1.00 0.00 H new ATOM 0 HG2 PRO A 11 34.124 30.186 46.624 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.694 31.501 47.634 1.00 0.00 H new ATOM 0 HD2 PRO A 11 36.298 29.761 45.705 1.00 0.00 H new ATOM 0 HD3 PRO A 11 36.397 31.496 45.934 1.00 0.00 H new ATOM 185 N PRO A 12 38.108 27.690 49.075 1.00 0.00 N ATOM 186 CA PRO A 12 38.344 26.436 49.835 1.00 0.00 C ATOM 187 C PRO A 12 39.366 26.161 50.985 1.00 0.00 C ATOM 188 O PRO A 12 39.102 25.186 51.698 1.00 0.00 O ATOM 189 CB PRO A 12 38.836 25.463 48.736 1.00 0.00 C ATOM 190 CG PRO A 12 38.067 25.906 47.496 1.00 0.00 C ATOM 191 CD PRO A 12 38.136 27.422 47.638 1.00 0.00 C ATOM 0 HA PRO A 12 37.409 26.390 50.394 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.913 25.537 48.588 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.620 24.426 48.993 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.533 25.556 46.575 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.041 25.538 47.494 1.00 0.00 H new ATOM 0 HD2 PRO A 12 39.046 27.816 47.185 1.00 0.00 H new ATOM 0 HD3 PRO A 12 37.296 27.900 47.135 1.00 0.00 H new ATOM 199 N THR A 13 40.536 26.884 51.193 1.00 0.00 N ATOM 200 CA THR A 13 41.482 26.368 52.204 1.00 0.00 C ATOM 201 C THR A 13 41.121 26.759 53.672 1.00 0.00 C ATOM 202 O THR A 13 40.744 27.880 54.011 1.00 0.00 O ATOM 203 CB THR A 13 42.974 26.693 51.947 1.00 0.00 C ATOM 204 OG1 THR A 13 43.333 28.063 52.111 1.00 0.00 O ATOM 205 CG2 THR A 13 43.439 26.249 50.548 1.00 0.00 C ATOM 0 H THR A 13 40.807 27.742 50.713 1.00 0.00 H new ATOM 0 HA THR A 13 41.360 25.292 52.084 1.00 0.00 H new ATOM 0 HB THR A 13 43.481 26.120 52.724 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.861 28.607 51.446 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.492 26.500 50.418 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.307 25.172 50.446 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.848 26.761 49.789 1.00 0.00 H new ATOM 213 N THR A 14 41.350 25.740 54.578 1.00 0.00 N ATOM 214 CA THR A 14 41.013 25.795 55.996 1.00 0.00 C ATOM 215 C THR A 14 42.191 25.280 56.883 1.00 0.00 C ATOM 216 O THR A 14 43.074 24.560 56.417 1.00 0.00 O ATOM 217 CB THR A 14 39.737 24.983 56.273 1.00 0.00 C ATOM 218 OG1 THR A 14 39.861 23.578 56.049 1.00 0.00 O ATOM 219 CG2 THR A 14 38.523 25.529 55.493 1.00 0.00 C ATOM 0 H THR A 14 41.782 24.857 54.307 1.00 0.00 H new ATOM 0 HA THR A 14 40.832 26.838 56.257 1.00 0.00 H new ATOM 0 HB THR A 14 39.572 25.112 57.343 1.00 0.00 H new ATOM 0 HG1 THR A 14 39.008 23.138 56.250 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.644 24.925 55.719 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.338 26.563 55.785 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.728 25.485 54.423 1.00 0.00 H new ATOM 227 N GLU A 15 42.169 25.680 58.208 1.00 0.00 N ATOM 228 CA GLU A 15 43.331 25.457 59.097 1.00 0.00 C ATOM 229 C GLU A 15 42.803 24.655 60.336 1.00 0.00 C ATOM 230 O GLU A 15 42.208 25.214 61.257 1.00 0.00 O ATOM 231 CB GLU A 15 43.967 26.800 59.526 1.00 0.00 C ATOM 232 CG GLU A 15 44.204 27.824 58.389 1.00 0.00 C ATOM 233 CD GLU A 15 44.514 29.212 58.938 1.00 0.00 C ATOM 234 OE1 GLU A 15 43.938 29.758 59.868 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.477 29.811 58.248 1.00 0.00 O ATOM 0 H GLU A 15 41.376 26.142 58.653 1.00 0.00 H new ATOM 0 HA GLU A 15 44.113 24.899 58.583 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.326 27.261 60.277 1.00 0.00 H new ATOM 0 HB3 GLU A 15 44.923 26.591 60.007 1.00 0.00 H new ATOM 0 HG2 GLU A 15 45.030 27.488 57.762 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.320 27.873 57.753 1.00 0.00 H new ATOM 243 N THR A 16 43.043 23.287 60.354 1.00 0.00 N ATOM 244 CA THR A 16 42.679 22.450 61.522 1.00 0.00 C ATOM 245 C THR A 16 43.888 22.691 62.493 1.00 0.00 C ATOM 246 O THR A 16 45.014 22.249 62.271 1.00 0.00 O ATOM 247 CB THR A 16 42.422 20.954 61.196 1.00 0.00 C ATOM 248 OG1 THR A 16 41.262 20.896 60.356 1.00 0.00 O ATOM 249 CG2 THR A 16 42.189 20.068 62.428 1.00 0.00 C ATOM 0 H THR A 16 43.475 22.774 59.586 1.00 0.00 H new ATOM 0 HA THR A 16 41.716 22.728 61.951 1.00 0.00 H new ATOM 0 HB THR A 16 43.319 20.564 60.715 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.070 19.963 60.128 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.018 19.040 62.110 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.066 20.106 63.075 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.318 20.428 62.976 1.00 0.00 H new ATOM 257 N CYS A 17 43.613 23.448 63.629 1.00 0.00 N ATOM 258 CA CYS A 17 44.686 24.090 64.413 1.00 0.00 C ATOM 259 C CYS A 17 44.772 23.627 65.907 1.00 0.00 C ATOM 260 O CYS A 17 43.778 23.236 66.519 1.00 0.00 O ATOM 261 CB CYS A 17 44.378 25.589 64.423 1.00 0.00 C ATOM 262 SG CYS A 17 45.779 26.718 64.610 1.00 0.00 S ATOM 0 H CYS A 17 42.673 23.609 63.992 1.00 0.00 H new ATOM 0 HA CYS A 17 45.634 23.820 63.947 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.867 25.835 63.492 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.676 25.784 65.233 1.00 0.00 H new ATOM 267 N GLN A 18 46.014 23.795 66.495 1.00 0.00 N ATOM 268 CA GLN A 18 46.306 23.578 67.916 1.00 0.00 C ATOM 269 C GLN A 18 46.343 24.943 68.708 1.00 0.00 C ATOM 270 O GLN A 18 46.581 24.922 69.916 1.00 0.00 O ATOM 271 CB GLN A 18 47.557 22.689 68.170 1.00 0.00 C ATOM 272 CG GLN A 18 48.884 23.015 67.443 1.00 0.00 C ATOM 273 CD GLN A 18 49.260 24.484 67.585 1.00 0.00 C ATOM 274 OE1 GLN A 18 48.951 25.321 66.757 1.00 0.00 O ATOM 275 NE2 GLN A 18 49.971 24.791 68.694 1.00 0.00 N ATOM 0 H GLN A 18 46.833 24.090 65.963 1.00 0.00 H new ATOM 0 HA GLN A 18 45.476 22.996 68.317 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.758 22.707 69.241 1.00 0.00 H new ATOM 0 HB3 GLN A 18 47.287 21.665 67.914 1.00 0.00 H new ATOM 0 HG2 GLN A 18 49.683 22.394 67.849 1.00 0.00 H new ATOM 0 HG3 GLN A 18 48.791 22.764 66.386 1.00 0.00 H new ATOM 0 HE21 GLN A 18 50.210 24.061 69.365 1.00 0.00 H new ATOM 0 HE22 GLN A 18 50.268 25.753 68.860 1.00 0.00 H new ATOM 284 N GLU A 19 46.070 26.146 68.062 1.00 0.00 N ATOM 285 CA GLU A 19 45.997 27.444 68.753 1.00 0.00 C ATOM 286 C GLU A 19 44.472 27.609 69.070 1.00 0.00 C ATOM 287 O GLU A 19 43.643 27.865 68.200 1.00 0.00 O ATOM 288 CB GLU A 19 46.527 28.635 67.932 1.00 0.00 C ATOM 289 CG GLU A 19 48.053 28.673 67.714 1.00 0.00 C ATOM 290 CD GLU A 19 48.797 28.737 69.039 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.297 27.798 69.624 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.855 29.986 69.501 1.00 0.00 O ATOM 0 H GLU A 19 45.901 26.210 67.058 1.00 0.00 H new ATOM 0 HA GLU A 19 46.637 27.448 69.635 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.040 28.626 66.957 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.227 29.557 68.429 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.366 27.788 67.161 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.314 29.538 67.105 1.00 0.00 H new ATOM 300 N ASP A 20 44.145 27.477 70.407 1.00 0.00 N ATOM 301 CA ASP A 20 42.826 27.407 71.034 1.00 0.00 C ATOM 302 C ASP A 20 41.804 28.557 70.676 1.00 0.00 C ATOM 303 O ASP A 20 40.610 28.443 70.969 1.00 0.00 O ATOM 304 CB ASP A 20 42.255 25.984 71.089 1.00 0.00 C ATOM 305 CG ASP A 20 41.782 25.330 69.772 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.380 26.077 68.876 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.772 24.094 69.759 1.00 0.00 O ATOM 0 H ASP A 20 44.883 27.414 71.109 1.00 0.00 H new ATOM 0 HA ASP A 20 43.023 27.662 72.075 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.016 25.338 71.526 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.410 25.992 71.778 1.00 0.00 H new ATOM 312 N SER A 21 42.310 29.737 70.175 1.00 0.00 N ATOM 313 CA SER A 21 41.513 30.916 69.835 1.00 0.00 C ATOM 314 C SER A 21 41.893 31.418 68.408 1.00 0.00 C ATOM 315 O SER A 21 43.001 31.192 67.917 1.00 0.00 O ATOM 316 CB SER A 21 41.717 32.052 70.869 1.00 0.00 C ATOM 317 OG SER A 21 41.053 33.289 70.624 1.00 0.00 O ATOM 0 H SER A 21 43.306 29.871 70.002 1.00 0.00 H new ATOM 0 HA SER A 21 40.461 30.631 69.852 1.00 0.00 H new ATOM 0 HB2 SER A 21 41.394 31.683 71.843 1.00 0.00 H new ATOM 0 HB3 SER A 21 42.786 32.252 70.943 1.00 0.00 H new ATOM 0 HG SER A 21 40.196 33.118 70.181 1.00 0.00 H new ATOM 323 N CYS A 22 40.920 32.123 67.717 1.00 0.00 N ATOM 324 CA CYS A 22 41.234 32.604 66.383 1.00 0.00 C ATOM 325 C CYS A 22 40.568 33.964 66.053 1.00 0.00 C ATOM 326 O CYS A 22 39.544 34.356 66.610 1.00 0.00 O ATOM 327 CB CYS A 22 40.975 31.509 65.313 1.00 0.00 C ATOM 328 SG CYS A 22 39.255 30.984 65.064 1.00 0.00 S ATOM 0 H CYS A 22 39.985 32.341 68.062 1.00 0.00 H new ATOM 0 HA CYS A 22 42.304 32.813 66.361 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.359 31.871 64.359 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.561 30.630 65.580 1.00 0.00 H new ATOM 333 N TYR A 23 41.243 34.702 65.097 1.00 0.00 N ATOM 334 CA TYR A 23 40.930 36.113 64.847 1.00 0.00 C ATOM 335 C TYR A 23 40.417 36.355 63.407 1.00 0.00 C ATOM 336 O TYR A 23 40.927 35.833 62.418 1.00 0.00 O ATOM 337 CB TYR A 23 42.166 37.047 65.079 1.00 0.00 C ATOM 338 CG TYR A 23 43.352 36.710 64.199 1.00 0.00 C ATOM 339 CD1 TYR A 23 43.525 37.279 62.940 1.00 0.00 C ATOM 340 CD2 TYR A 23 44.324 35.812 64.629 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.631 36.993 62.155 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.452 35.525 63.875 1.00 0.00 C ATOM 343 CZ TYR A 23 45.630 36.121 62.625 1.00 0.00 C ATOM 344 OH TYR A 23 46.717 35.880 61.838 1.00 0.00 O ATOM 0 H TYR A 23 41.989 34.327 64.511 1.00 0.00 H new ATOM 0 HA TYR A 23 40.145 36.358 65.563 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.870 38.080 64.896 1.00 0.00 H new ATOM 0 HB3 TYR A 23 42.469 36.982 66.124 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.777 37.962 62.565 1.00 0.00 H new ATOM 0 HD2 TYR A 23 44.196 35.322 65.583 1.00 0.00 H new ATOM 0 HE1 TYR A 23 44.726 37.442 61.177 1.00 0.00 H new ATOM 0 HE2 TYR A 23 46.194 34.839 64.256 1.00 0.00 H new ATOM 0 HH TYR A 23 47.321 35.259 62.296 1.00 0.00 H new ATOM 354 N LYS A 24 39.368 37.254 63.336 1.00 0.00 N ATOM 355 CA LYS A 24 38.745 37.717 62.103 1.00 0.00 C ATOM 356 C LYS A 24 39.534 39.023 61.692 1.00 0.00 C ATOM 357 O LYS A 24 39.537 40.040 62.385 1.00 0.00 O ATOM 358 CB LYS A 24 37.264 38.068 62.326 1.00 0.00 C ATOM 359 CG LYS A 24 36.277 37.084 63.002 1.00 0.00 C ATOM 360 CD LYS A 24 35.878 35.765 62.303 1.00 0.00 C ATOM 361 CE LYS A 24 34.449 35.412 62.759 1.00 0.00 C ATOM 362 NZ LYS A 24 33.944 34.042 62.311 1.00 0.00 N ATOM 0 H LYS A 24 38.948 37.665 64.169 1.00 0.00 H new ATOM 0 HA LYS A 24 38.783 36.944 61.336 1.00 0.00 H new ATOM 0 HB2 LYS A 24 37.244 38.986 62.914 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.848 38.307 61.348 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.701 36.819 63.970 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.357 37.635 63.197 1.00 0.00 H new ATOM 0 HD2 LYS A 24 35.918 35.878 61.220 1.00 0.00 H new ATOM 0 HD3 LYS A 24 36.572 34.967 62.566 1.00 0.00 H new ATOM 0 HE2 LYS A 24 34.410 35.458 63.847 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.766 36.174 62.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.909 34.006 62.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.207 33.883 61.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.372 33.303 62.905 1.00 0.00 H new ATOM 376 N ASN A 25 40.172 38.995 60.470 1.00 0.00 N ATOM 377 CA ASN A 25 40.971 40.097 59.884 1.00 0.00 C ATOM 378 C ASN A 25 40.071 40.495 58.645 1.00 0.00 C ATOM 379 O ASN A 25 39.918 39.702 57.718 1.00 0.00 O ATOM 380 CB ASN A 25 42.333 39.572 59.452 1.00 0.00 C ATOM 381 CG ASN A 25 43.185 40.666 58.856 1.00 0.00 C ATOM 382 OD1 ASN A 25 44.093 41.221 59.442 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.825 41.015 57.610 1.00 0.00 N ATOM 0 H ASN A 25 40.134 38.177 59.862 1.00 0.00 H new ATOM 0 HA ASN A 25 41.183 40.931 60.553 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.845 39.137 60.310 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.201 38.774 58.722 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.319 41.766 57.128 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.058 40.529 57.146 1.00 0.00 H new ATOM 390 N ILE A 26 39.493 41.768 58.626 1.00 0.00 N ATOM 391 CA ILE A 26 38.228 42.029 57.860 1.00 0.00 C ATOM 392 C ILE A 26 38.268 43.131 56.725 1.00 0.00 C ATOM 393 O ILE A 26 37.352 43.252 55.915 1.00 0.00 O ATOM 394 CB ILE A 26 37.111 42.372 58.884 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.983 43.869 59.272 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.177 41.491 60.158 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.186 44.532 59.960 1.00 0.00 C ATOM 0 H ILE A 26 39.874 42.580 59.112 1.00 0.00 H new ATOM 0 HA ILE A 26 38.044 41.111 57.302 1.00 0.00 H new ATOM 0 HB ILE A 26 36.202 42.137 58.331 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.762 44.433 58.366 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.121 43.973 59.930 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.374 41.774 60.838 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.066 40.443 59.881 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.138 41.636 60.651 1.00 0.00 H new ATOM 0 HD11 ILE A 26 37.954 45.576 60.172 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.404 44.012 60.893 1.00 0.00 H new ATOM 0 HD13 ILE A 26 39.055 44.479 59.304 1.00 0.00 H new ATOM 409 N TRP A 27 39.366 43.952 56.730 1.00 0.00 N ATOM 410 CA TRP A 27 39.856 45.064 55.906 1.00 0.00 C ATOM 411 C TRP A 27 40.675 44.395 54.719 1.00 0.00 C ATOM 412 O TRP A 27 40.111 43.919 53.738 1.00 0.00 O ATOM 413 CB TRP A 27 40.726 46.021 56.825 1.00 0.00 C ATOM 414 CG TRP A 27 41.389 45.310 57.985 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.797 43.952 57.947 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.551 45.665 59.324 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.079 43.445 59.173 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.954 44.524 60.023 1.00 0.00 C ATOM 419 CE3 TRP A 27 41.266 46.821 60.091 1.00 0.00 C ATOM 420 CZ2 TRP A 27 42.099 44.426 61.363 1.00 0.00 C ATOM 421 CZ3 TRP A 27 41.418 46.768 61.472 1.00 0.00 C ATOM 422 CH2 TRP A 27 41.837 45.580 62.108 1.00 0.00 C ATOM 0 H TRP A 27 40.048 43.795 57.472 1.00 0.00 H new ATOM 0 HA TRP A 27 39.068 45.685 55.481 1.00 0.00 H new ATOM 0 HB2 TRP A 27 41.494 46.497 56.215 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.089 46.816 57.213 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.875 43.380 57.034 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.327 42.485 59.412 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.936 47.730 59.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.402 43.503 61.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 41.213 47.647 62.065 1.00 0.00 H new ATOM 0 HH2 TRP A 27 41.957 45.562 63.181 1.00 0.00 H new ATOM 433 N THR A 28 42.061 44.364 54.839 1.00 0.00 N ATOM 434 CA THR A 28 43.003 43.680 53.935 1.00 0.00 C ATOM 435 C THR A 28 43.356 44.682 52.781 1.00 0.00 C ATOM 436 O THR A 28 44.444 45.252 52.792 1.00 0.00 O ATOM 437 CB THR A 28 42.685 42.250 53.405 1.00 0.00 C ATOM 438 OG1 THR A 28 43.805 41.641 52.760 1.00 0.00 O ATOM 439 CG2 THR A 28 41.994 41.267 54.372 1.00 0.00 C ATOM 0 H THR A 28 42.540 44.840 55.604 1.00 0.00 H new ATOM 0 HA THR A 28 43.852 43.426 54.570 1.00 0.00 H new ATOM 0 HB THR A 28 41.911 42.459 52.666 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.332 41.144 53.420 1.00 0.00 H new ATOM 0 HG21 THR A 28 41.835 40.313 53.869 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.625 41.115 55.248 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.034 41.678 54.683 1.00 0.00 H new ATOM 447 N PHE A 29 42.416 44.883 51.780 1.00 0.00 N ATOM 448 CA PHE A 29 42.626 45.806 50.662 1.00 0.00 C ATOM 449 C PHE A 29 41.358 45.748 49.760 1.00 0.00 C ATOM 450 O PHE A 29 40.817 46.773 49.352 1.00 0.00 O ATOM 451 CB PHE A 29 43.895 45.610 49.738 1.00 0.00 C ATOM 452 CG PHE A 29 43.918 44.348 48.890 1.00 0.00 C ATOM 453 CD1 PHE A 29 44.240 43.101 49.433 1.00 0.00 C ATOM 454 CD2 PHE A 29 43.668 44.418 47.516 1.00 0.00 C ATOM 455 CE1 PHE A 29 44.319 41.959 48.633 1.00 0.00 C ATOM 456 CE2 PHE A 29 43.745 43.288 46.702 1.00 0.00 C ATOM 457 CZ PHE A 29 44.077 42.048 47.258 1.00 0.00 C ATOM 0 H PHE A 29 41.516 44.403 51.753 1.00 0.00 H new ATOM 0 HA PHE A 29 42.814 46.764 51.147 1.00 0.00 H new ATOM 0 HB2 PHE A 29 43.972 46.471 49.074 1.00 0.00 H new ATOM 0 HB3 PHE A 29 44.783 45.615 50.370 1.00 0.00 H new ATOM 0 HD1 PHE A 29 44.432 43.019 50.493 1.00 0.00 H new ATOM 0 HD2 PHE A 29 43.409 45.369 47.075 1.00 0.00 H new ATOM 0 HE1 PHE A 29 44.567 41.006 49.076 1.00 0.00 H new ATOM 0 HE2 PHE A 29 43.548 43.370 45.643 1.00 0.00 H new ATOM 0 HZ PHE A 29 44.146 41.170 46.633 1.00 0.00 H new ATOM 467 N ASP A 30 40.914 44.479 49.458 1.00 0.00 N ATOM 468 CA ASP A 30 39.739 44.070 48.715 1.00 0.00 C ATOM 469 C ASP A 30 38.428 44.365 49.511 1.00 0.00 C ATOM 470 O ASP A 30 37.438 44.742 48.888 1.00 0.00 O ATOM 471 CB ASP A 30 39.870 42.575 48.370 1.00 0.00 C ATOM 472 CG ASP A 30 40.318 41.573 49.482 1.00 0.00 C ATOM 473 OD1 ASP A 30 40.466 42.013 50.624 1.00 0.00 O ATOM 474 OD2 ASP A 30 40.519 40.420 49.081 1.00 0.00 O ATOM 0 H ASP A 30 41.443 43.666 49.773 1.00 0.00 H new ATOM 0 HA ASP A 30 39.674 44.647 47.793 1.00 0.00 H new ATOM 0 HB2 ASP A 30 38.903 42.239 47.995 1.00 0.00 H new ATOM 0 HB3 ASP A 30 40.578 42.489 47.546 1.00 0.00 H new ATOM 479 N ASN A 31 38.456 44.224 50.890 1.00 0.00 N ATOM 480 CA ASN A 31 37.373 44.410 51.890 1.00 0.00 C ATOM 481 C ASN A 31 36.816 42.979 52.135 1.00 0.00 C ATOM 482 O ASN A 31 35.764 42.615 51.612 1.00 0.00 O ATOM 483 CB ASN A 31 36.316 45.473 51.566 1.00 0.00 C ATOM 484 CG ASN A 31 36.923 46.869 51.613 1.00 0.00 C ATOM 485 OD1 ASN A 31 36.977 47.535 52.631 1.00 0.00 O ATOM 486 ND2 ASN A 31 37.401 47.321 50.434 1.00 0.00 N ATOM 0 H ASN A 31 39.324 43.952 51.352 1.00 0.00 H new ATOM 0 HA ASN A 31 37.773 44.852 52.802 1.00 0.00 H new ATOM 0 HB2 ASN A 31 35.897 45.287 50.577 1.00 0.00 H new ATOM 0 HB3 ASN A 31 35.494 45.404 52.279 1.00 0.00 H new ATOM 0 HD21 ASN A 31 37.824 48.247 50.377 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.339 46.736 49.601 1.00 0.00 H new ATOM 493 N ILE A 32 37.553 42.159 52.988 1.00 0.00 N ATOM 494 CA ILE A 32 37.128 40.773 53.157 1.00 0.00 C ATOM 495 C ILE A 32 37.632 40.107 54.487 1.00 0.00 C ATOM 496 O ILE A 32 38.656 40.485 55.050 1.00 0.00 O ATOM 497 CB ILE A 32 37.595 39.878 51.971 1.00 0.00 C ATOM 498 CG1 ILE A 32 36.673 38.690 51.635 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.044 39.392 52.195 1.00 0.00 C ATOM 500 CD1 ILE A 32 35.221 39.056 51.284 1.00 0.00 C ATOM 0 H ILE A 32 38.379 42.441 53.517 1.00 0.00 H new ATOM 0 HA ILE A 32 36.040 40.832 53.193 1.00 0.00 H new ATOM 0 HB ILE A 32 37.544 40.527 51.097 1.00 0.00 H new ATOM 0 HG12 ILE A 32 37.104 38.144 50.796 1.00 0.00 H new ATOM 0 HG13 ILE A 32 36.662 38.009 52.486 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.352 38.768 51.356 1.00 0.00 H new ATOM 0 HG22 ILE A 32 39.709 40.252 52.271 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.095 38.812 53.116 1.00 0.00 H new ATOM 0 HD11 ILE A 32 34.660 38.148 51.065 1.00 0.00 H new ATOM 0 HD12 ILE A 32 34.762 39.572 52.127 1.00 0.00 H new ATOM 0 HD13 ILE A 32 35.211 39.708 50.411 1.00 0.00 H new ATOM 512 N ILE A 33 36.880 39.027 54.941 1.00 0.00 N ATOM 513 CA ILE A 33 37.227 38.242 56.149 1.00 0.00 C ATOM 514 C ILE A 33 38.130 37.076 55.626 1.00 0.00 C ATOM 515 O ILE A 33 37.677 35.998 55.248 1.00 0.00 O ATOM 516 CB ILE A 33 36.024 37.772 56.988 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.319 38.999 57.630 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.390 36.747 58.088 1.00 0.00 C ATOM 519 CD1 ILE A 33 34.012 38.747 58.407 1.00 0.00 C ATOM 0 H ILE A 33 36.035 38.701 54.471 1.00 0.00 H new ATOM 0 HA ILE A 33 37.752 38.865 56.873 1.00 0.00 H new ATOM 0 HB ILE A 33 35.354 37.258 56.299 1.00 0.00 H new ATOM 0 HG12 ILE A 33 36.026 39.475 58.309 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.105 39.716 56.837 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.491 36.464 58.636 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.829 35.861 57.629 1.00 0.00 H new ATOM 0 HG23 ILE A 33 37.109 37.193 58.776 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.634 39.691 58.798 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.271 38.308 57.739 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.206 38.063 59.234 1.00 0.00 H new ATOM 531 N ARG A 34 39.487 37.336 55.613 1.00 0.00 N ATOM 532 CA ARG A 34 40.488 36.394 55.082 1.00 0.00 C ATOM 533 C ARG A 34 41.594 36.457 56.172 1.00 0.00 C ATOM 534 O ARG A 34 42.394 37.383 56.276 1.00 0.00 O ATOM 535 CB ARG A 34 40.911 36.756 53.658 1.00 0.00 C ATOM 536 CG ARG A 34 41.952 35.850 52.984 1.00 0.00 C ATOM 537 CD ARG A 34 41.963 36.039 51.452 1.00 0.00 C ATOM 538 NE ARG A 34 42.186 37.375 50.848 1.00 0.00 N ATOM 539 CZ ARG A 34 42.749 38.445 51.382 1.00 0.00 C ATOM 540 NH1 ARG A 34 43.643 38.343 52.328 1.00 0.00 N ATOM 541 NH2 ARG A 34 42.413 39.629 50.947 1.00 0.00 N ATOM 0 H ARG A 34 39.891 38.201 55.971 1.00 0.00 H new ATOM 0 HA ARG A 34 40.143 35.370 54.936 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.018 36.768 53.033 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.305 37.772 53.670 1.00 0.00 H new ATOM 0 HG2 ARG A 34 42.941 36.070 53.385 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.736 34.808 53.221 1.00 0.00 H new ATOM 0 HD2 ARG A 34 42.732 35.377 51.054 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.005 35.676 51.079 1.00 0.00 H new ATOM 0 HE ARG A 34 41.860 37.483 49.888 1.00 0.00 H new ATOM 0 HH11 ARG A 34 43.921 37.423 52.670 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.064 39.183 52.725 1.00 0.00 H new ATOM 0 HH21 ARG A 34 41.722 39.722 50.202 1.00 0.00 H new ATOM 0 HH22 ARG A 34 42.841 40.462 51.352 1.00 0.00 H new ATOM 555 N ARG A 35 41.567 35.370 57.045 1.00 0.00 N ATOM 556 CA ARG A 35 42.056 35.531 58.414 1.00 0.00 C ATOM 557 C ARG A 35 42.807 34.316 59.020 1.00 0.00 C ATOM 558 O ARG A 35 43.122 33.373 58.299 1.00 0.00 O ATOM 559 CB ARG A 35 40.806 35.929 59.221 1.00 0.00 C ATOM 560 CG ARG A 35 39.642 34.907 59.369 1.00 0.00 C ATOM 561 CD ARG A 35 39.884 33.682 60.282 1.00 0.00 C ATOM 562 NE ARG A 35 38.710 33.063 60.958 1.00 0.00 N ATOM 563 CZ ARG A 35 37.550 32.699 60.435 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.175 33.048 59.238 1.00 0.00 N ATOM 565 NH2 ARG A 35 36.739 31.947 61.129 1.00 0.00 N ATOM 0 H ARG A 35 41.225 34.438 56.809 1.00 0.00 H new ATOM 0 HA ARG A 35 42.843 36.285 58.440 1.00 0.00 H new ATOM 0 HB2 ARG A 35 41.135 36.199 60.224 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.395 36.831 58.767 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.770 35.441 59.746 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.386 34.541 58.375 1.00 0.00 H new ATOM 0 HD2 ARG A 35 40.367 32.911 59.682 1.00 0.00 H new ATOM 0 HD3 ARG A 35 40.595 33.978 61.054 1.00 0.00 H new ATOM 0 HE ARG A 35 38.814 32.897 61.959 1.00 0.00 H new ATOM 0 HH11 ARG A 35 37.785 33.626 58.661 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.271 32.743 58.878 1.00 0.00 H new ATOM 0 HH21 ARG A 35 37.001 31.644 62.067 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.843 31.662 60.733 1.00 0.00 H new ATOM 579 N GLY A 36 43.160 34.402 60.367 1.00 0.00 N ATOM 580 CA GLY A 36 44.070 33.374 60.911 1.00 0.00 C ATOM 581 C GLY A 36 43.707 32.699 62.252 1.00 0.00 C ATOM 582 O GLY A 36 43.041 33.248 63.121 1.00 0.00 O ATOM 0 H GLY A 36 42.846 35.117 61.023 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.168 32.589 60.161 1.00 0.00 H new ATOM 0 HA3 GLY A 36 45.053 33.830 61.026 1.00 0.00 H new ATOM 586 N CYS A 37 44.311 31.464 62.404 1.00 0.00 N ATOM 587 CA CYS A 37 44.267 30.672 63.638 1.00 0.00 C ATOM 588 C CYS A 37 45.463 31.230 64.493 1.00 0.00 C ATOM 589 O CYS A 37 46.634 31.052 64.156 1.00 0.00 O ATOM 590 CB CYS A 37 44.402 29.166 63.381 1.00 0.00 C ATOM 591 SG CYS A 37 44.524 28.311 64.984 1.00 0.00 S ATOM 0 H CYS A 37 44.837 31.013 61.655 1.00 0.00 H new ATOM 0 HA CYS A 37 43.307 30.767 64.146 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.542 28.799 62.821 1.00 0.00 H new ATOM 0 HB3 CYS A 37 45.286 28.963 62.776 1.00 0.00 H new ATOM 596 N GLY A 38 45.154 32.005 65.614 1.00 0.00 N ATOM 597 CA GLY A 38 46.261 32.552 66.399 1.00 0.00 C ATOM 598 C GLY A 38 45.653 33.034 67.732 1.00 0.00 C ATOM 599 O GLY A 38 45.616 32.298 68.711 1.00 0.00 O ATOM 0 H GLY A 38 44.215 32.230 65.944 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.026 31.795 66.572 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.742 33.376 65.871 1.00 0.00 H new ATOM 603 N CYS A 39 45.144 34.325 67.753 1.00 0.00 N ATOM 604 CA CYS A 39 44.461 34.865 68.928 1.00 0.00 C ATOM 605 C CYS A 39 45.401 35.204 70.126 1.00 0.00 C ATOM 606 O CYS A 39 46.610 35.365 69.990 1.00 0.00 O ATOM 607 CB CYS A 39 43.617 36.094 68.524 1.00 0.00 C ATOM 608 SG CYS A 39 42.776 36.963 69.886 1.00 0.00 S ATOM 0 H CYS A 39 45.208 34.974 66.969 1.00 0.00 H new ATOM 0 HA CYS A 39 43.814 34.069 69.296 1.00 0.00 H new ATOM 0 HB2 CYS A 39 44.266 36.804 68.012 1.00 0.00 H new ATOM 0 HB3 CYS A 39 42.864 35.773 67.804 1.00 0.00 H new ATOM 613 N PHE A 40 44.742 35.322 71.336 1.00 0.00 N ATOM 614 CA PHE A 40 45.393 35.528 72.625 1.00 0.00 C ATOM 615 C PHE A 40 46.156 36.906 72.578 1.00 0.00 C ATOM 616 O PHE A 40 47.350 36.965 72.863 1.00 0.00 O ATOM 617 CB PHE A 40 46.272 34.352 73.122 1.00 0.00 C ATOM 618 CG PHE A 40 45.728 32.960 72.827 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.768 32.323 73.623 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.245 32.242 71.742 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.381 31.007 73.370 1.00 0.00 C ATOM 622 CE2 PHE A 40 45.870 30.929 71.478 1.00 0.00 C ATOM 623 CZ PHE A 40 44.958 30.294 72.319 1.00 0.00 C ATOM 0 H PHE A 40 43.726 35.271 71.409 1.00 0.00 H new ATOM 0 HA PHE A 40 44.615 35.561 73.388 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.259 34.442 72.669 1.00 0.00 H new ATOM 0 HB3 PHE A 40 46.406 34.451 74.199 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.320 32.859 74.446 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.958 32.723 71.089 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.632 30.538 73.990 1.00 0.00 H new ATOM 0 HE2 PHE A 40 46.282 30.406 70.628 1.00 0.00 H new ATOM 0 HZ PHE A 40 44.700 29.258 72.158 1.00 0.00 H new ATOM 735 N GLY A 48 46.768 43.011 66.186 1.00 0.00 N ATOM 736 CA GLY A 48 46.153 41.674 66.188 1.00 0.00 C ATOM 737 C GLY A 48 44.608 41.676 65.946 1.00 0.00 C ATOM 738 O GLY A 48 43.951 41.108 66.811 1.00 0.00 O ATOM 0 HA2 GLY A 48 46.629 41.067 65.418 1.00 0.00 H new ATOM 0 HA3 GLY A 48 46.359 41.194 67.145 1.00 0.00 H new ATOM 742 N PRO A 49 44.023 42.287 64.804 1.00 0.00 N ATOM 743 CA PRO A 49 42.590 41.996 64.490 1.00 0.00 C ATOM 744 C PRO A 49 41.536 42.065 65.662 1.00 0.00 C ATOM 745 O PRO A 49 41.670 42.811 66.628 1.00 0.00 O ATOM 746 CB PRO A 49 42.735 40.650 63.778 1.00 0.00 C ATOM 747 CG PRO A 49 43.936 40.926 62.837 1.00 0.00 C ATOM 748 CD PRO A 49 44.723 42.053 63.536 1.00 0.00 C ATOM 0 HA PRO A 49 42.120 42.779 63.895 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.938 39.837 64.475 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.835 40.379 63.226 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.550 40.035 62.706 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.601 41.231 61.846 1.00 0.00 H new ATOM 0 HD2 PRO A 49 45.759 41.761 63.707 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.743 42.956 62.925 1.00 0.00 H new ATOM 756 N TYR A 50 40.376 41.340 65.440 1.00 0.00 N ATOM 757 CA TYR A 50 39.290 41.195 66.442 1.00 0.00 C ATOM 758 C TYR A 50 39.068 39.638 66.620 1.00 0.00 C ATOM 759 O TYR A 50 39.055 38.907 65.630 1.00 0.00 O ATOM 760 CB TYR A 50 37.920 41.956 66.211 1.00 0.00 C ATOM 761 CG TYR A 50 36.759 41.068 65.792 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.054 40.329 66.743 1.00 0.00 C ATOM 763 CD2 TYR A 50 36.319 40.985 64.472 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.996 39.499 66.405 1.00 0.00 C ATOM 765 CE2 TYR A 50 35.241 40.187 64.113 1.00 0.00 C ATOM 766 CZ TYR A 50 34.568 39.411 65.079 1.00 0.00 C ATOM 767 OH TYR A 50 33.542 38.604 64.686 1.00 0.00 O ATOM 0 H TYR A 50 40.187 40.852 64.564 1.00 0.00 H new ATOM 0 HA TYR A 50 39.637 41.709 67.339 1.00 0.00 H new ATOM 0 HB2 TYR A 50 37.649 42.474 67.131 1.00 0.00 H new ATOM 0 HB3 TYR A 50 38.069 42.719 65.447 1.00 0.00 H new ATOM 0 HD1 TYR A 50 36.343 40.406 67.781 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.829 41.555 63.710 1.00 0.00 H new ATOM 0 HE1 TYR A 50 34.501 38.919 67.170 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.915 40.160 63.084 1.00 0.00 H new ATOM 0 HH TYR A 50 33.406 38.694 63.720 1.00 0.00 H new ATOM 777 N CYS A 51 38.898 39.112 67.901 1.00 0.00 N ATOM 778 CA CYS A 51 38.907 37.648 68.109 1.00 0.00 C ATOM 779 C CYS A 51 37.640 36.995 68.765 1.00 0.00 C ATOM 780 O CYS A 51 36.811 37.640 69.397 1.00 0.00 O ATOM 781 CB CYS A 51 40.115 37.238 68.983 1.00 0.00 C ATOM 782 SG CYS A 51 41.649 38.155 68.638 1.00 0.00 S ATOM 0 H CYS A 51 38.762 39.669 68.745 1.00 0.00 H new ATOM 0 HA CYS A 51 38.946 37.273 67.086 1.00 0.00 H new ATOM 0 HB2 CYS A 51 39.852 37.378 70.031 1.00 0.00 H new ATOM 0 HB3 CYS A 51 40.304 36.174 68.841 1.00 0.00 H new ATOM 787 N CYS A 52 37.602 35.621 68.609 1.00 0.00 N ATOM 788 CA CYS A 52 36.623 34.704 69.193 1.00 0.00 C ATOM 789 C CYS A 52 37.352 33.437 69.773 1.00 0.00 C ATOM 790 O CYS A 52 38.476 33.128 69.373 1.00 0.00 O ATOM 791 CB CYS A 52 35.628 34.256 68.133 1.00 0.00 C ATOM 792 SG CYS A 52 34.066 33.621 68.817 1.00 0.00 S ATOM 0 H CYS A 52 38.295 35.131 68.043 1.00 0.00 H new ATOM 0 HA CYS A 52 36.096 35.225 69.993 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.411 35.096 67.473 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.088 33.481 67.520 1.00 0.00 H new ATOM 797 N GLU A 53 36.680 32.660 70.703 1.00 0.00 N ATOM 798 CA GLU A 53 37.303 31.430 71.217 1.00 0.00 C ATOM 799 C GLU A 53 36.255 30.276 71.260 1.00 0.00 C ATOM 800 O GLU A 53 36.125 29.577 72.263 1.00 0.00 O ATOM 801 CB GLU A 53 38.130 31.635 72.505 1.00 0.00 C ATOM 802 CG GLU A 53 37.429 32.135 73.784 1.00 0.00 C ATOM 803 CD GLU A 53 38.400 31.994 74.955 1.00 0.00 C ATOM 804 OE1 GLU A 53 38.505 31.004 75.654 1.00 0.00 O ATOM 805 OE2 GLU A 53 39.144 33.094 75.114 1.00 0.00 O ATOM 0 H GLU A 53 35.756 32.870 71.080 1.00 0.00 H new ATOM 0 HA GLU A 53 38.073 31.116 70.512 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.605 30.683 72.743 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.928 32.340 72.272 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.125 33.175 73.667 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.524 31.557 73.971 1.00 0.00 H new ATOM 813 N SER A 54 35.569 30.018 70.079 1.00 0.00 N ATOM 814 CA SER A 54 34.609 28.918 69.994 1.00 0.00 C ATOM 815 C SER A 54 34.497 28.566 68.479 1.00 0.00 C ATOM 816 O SER A 54 33.650 29.089 67.756 1.00 0.00 O ATOM 817 CB SER A 54 33.207 29.142 70.599 1.00 0.00 C ATOM 818 OG SER A 54 32.457 27.937 70.464 1.00 0.00 O ATOM 0 H SER A 54 35.680 30.556 69.219 1.00 0.00 H new ATOM 0 HA SER A 54 34.997 28.113 70.619 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.288 29.422 71.649 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.701 29.962 70.089 1.00 0.00 H new ATOM 0 HG SER A 54 31.563 28.063 70.846 1.00 0.00 H new ATOM 824 N ASP A 55 35.402 27.624 68.002 1.00 0.00 N ATOM 825 CA ASP A 55 35.349 27.150 66.619 1.00 0.00 C ATOM 826 C ASP A 55 35.556 28.375 65.641 1.00 0.00 C ATOM 827 O ASP A 55 36.151 29.404 65.958 1.00 0.00 O ATOM 828 CB ASP A 55 34.066 26.310 66.354 1.00 0.00 C ATOM 829 CG ASP A 55 34.066 25.348 65.136 1.00 0.00 C ATOM 830 OD1 ASP A 55 35.127 25.212 64.527 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.967 24.831 64.907 1.00 0.00 O ATOM 0 H ASP A 55 36.145 27.209 68.564 1.00 0.00 H new ATOM 0 HA ASP A 55 36.166 26.455 66.424 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.863 25.719 67.247 1.00 0.00 H new ATOM 0 HB3 ASP A 55 33.232 27.002 66.234 1.00 0.00 H new ATOM 836 N LYS A 56 35.052 28.183 64.366 1.00 0.00 N ATOM 837 CA LYS A 56 35.120 29.218 63.338 1.00 0.00 C ATOM 838 C LYS A 56 34.353 30.502 63.784 1.00 0.00 C ATOM 839 O LYS A 56 34.675 31.583 63.278 1.00 0.00 O ATOM 840 CB LYS A 56 34.699 28.778 61.931 1.00 0.00 C ATOM 841 CG LYS A 56 33.236 28.370 61.739 1.00 0.00 C ATOM 842 CD LYS A 56 32.951 26.984 62.343 1.00 0.00 C ATOM 843 CE LYS A 56 31.711 26.185 61.942 1.00 0.00 C ATOM 844 NZ LYS A 56 31.873 24.815 62.634 1.00 0.00 N ATOM 0 H LYS A 56 34.605 27.319 64.059 1.00 0.00 H new ATOM 0 HA LYS A 56 36.182 29.444 63.244 1.00 0.00 H new ATOM 0 HB2 LYS A 56 34.916 29.594 61.242 1.00 0.00 H new ATOM 0 HB3 LYS A 56 35.327 27.937 61.637 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.587 29.111 62.205 1.00 0.00 H new ATOM 0 HG3 LYS A 56 32.997 28.360 60.676 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.817 26.358 62.126 1.00 0.00 H new ATOM 0 HD3 LYS A 56 32.912 27.110 63.425 1.00 0.00 H new ATOM 0 HE2 LYS A 56 30.798 26.685 62.266 1.00 0.00 H new ATOM 0 HE3 LYS A 56 31.646 26.075 60.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 30.983 24.282 62.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 32.635 24.280 62.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.110 24.958 63.636 1.00 0.00 H new ATOM 858 N CYS A 57 33.317 30.415 64.705 1.00 0.00 N ATOM 859 CA CYS A 57 32.657 31.580 65.278 1.00 0.00 C ATOM 860 C CYS A 57 31.882 32.309 64.123 1.00 0.00 C ATOM 861 O CYS A 57 31.936 33.533 64.035 1.00 0.00 O ATOM 862 CB CYS A 57 33.635 32.436 66.104 1.00 0.00 C ATOM 863 SG CYS A 57 32.901 33.762 67.117 1.00 0.00 S ATOM 0 H CYS A 57 32.946 29.527 65.044 1.00 0.00 H new ATOM 0 HA CYS A 57 31.910 31.303 66.022 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.195 31.773 66.764 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.354 32.887 65.421 1.00 0.00 H new ATOM 868 N ASN A 58 31.133 31.524 63.248 1.00 0.00 N ATOM 869 CA ASN A 58 30.291 31.990 62.136 1.00 0.00 C ATOM 870 C ASN A 58 31.229 32.671 61.075 1.00 0.00 C ATOM 871 O ASN A 58 31.626 33.825 61.224 1.00 0.00 O ATOM 872 CB ASN A 58 29.118 32.902 62.526 1.00 0.00 C ATOM 873 CG ASN A 58 28.256 33.115 61.287 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.520 32.254 60.842 1.00 0.00 O ATOM 875 ND2 ASN A 58 28.382 34.328 60.705 1.00 0.00 N ATOM 0 H ASN A 58 31.122 30.507 63.331 1.00 0.00 H new ATOM 0 HA ASN A 58 29.790 31.114 61.723 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.532 32.448 63.325 1.00 0.00 H new ATOM 0 HB3 ASN A 58 29.486 33.856 62.903 1.00 0.00 H new ATOM 0 HD21 ASN A 58 27.850 34.547 59.863 1.00 0.00 H new ATOM 0 HD22 ASN A 58 29.009 35.024 61.108 1.00 0.00 H new ATOM 882 N LEU A 59 31.579 31.917 59.961 1.00 0.00 N ATOM 883 CA LEU A 59 32.468 32.375 58.859 1.00 0.00 C ATOM 884 C LEU A 59 33.916 32.430 59.498 1.00 0.00 C ATOM 885 O LEU A 59 34.494 31.347 59.635 1.00 0.00 O ATOM 886 CB LEU A 59 32.020 33.653 58.119 1.00 0.00 C ATOM 887 CG LEU A 59 32.930 34.128 56.958 1.00 0.00 C ATOM 888 CD1 LEU A 59 32.941 33.158 55.768 1.00 0.00 C ATOM 889 CD2 LEU A 59 32.495 35.526 56.486 1.00 0.00 C ATOM 890 OXT LEU A 59 34.351 33.541 59.823 1.00 0.00 O ATOM 0 H LEU A 59 31.237 30.966 59.821 1.00 0.00 H new ATOM 0 HA LEU A 59 32.434 31.677 58.023 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.019 33.486 57.722 1.00 0.00 H new ATOM 0 HB3 LEU A 59 31.944 34.461 58.847 1.00 0.00 H new ATOM 0 HG LEU A 59 33.946 34.163 57.350 1.00 0.00 H new ATOM 0 HD11 LEU A 59 33.596 33.546 54.988 1.00 0.00 H new ATOM 0 HD12 LEU A 59 33.305 32.184 56.096 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.930 33.054 55.374 1.00 0.00 H new ATOM 0 HD21 LEU A 59 33.140 35.852 55.670 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.462 35.488 56.139 1.00 0.00 H new ATOM 0 HD23 LEU A 59 32.574 36.230 57.314 1.00 0.00 H new