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= -0.917 K(o=0.38,f=-3.8) USER MOD Set 1.2: A 13 THR OG1 : rot -61:sc= 1.29 USER MOD Single : A 1 ARG N :NH3+ -149:sc= 0.976! (180deg=-3.19!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.565 K(o=-0.57,f=-1.5) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 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= -1.85! C(o=-1.8!,f=-2.7!) USER MOD Single : A 21 SER OG : rot 107:sc= 0.786 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -146:sc= -0.616! (180deg=-4.18!) USER MOD Single : A 25 ASN : amide:sc= -4.09! C(o=-4.1!,f=-4.1!) USER MOD Single : A 28 THR OG1 : rot -115:sc= 1.16 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -58:sc= 1.47 USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= -0.615! (180deg=-4.14!) USER MOD Single : A 58 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.332 24.586 67.438 1.00 0.00 N ATOM 2 CA ARG A 1 39.954 24.305 66.806 1.00 0.00 C ATOM 3 C ARG A 1 40.017 24.571 65.267 1.00 0.00 C ATOM 4 O ARG A 1 41.028 25.056 64.769 1.00 0.00 O ATOM 5 CB ARG A 1 38.856 25.240 67.397 1.00 0.00 C ATOM 6 CG ARG A 1 37.541 24.595 67.894 1.00 0.00 C ATOM 7 CD ARG A 1 37.696 23.672 69.110 1.00 0.00 C ATOM 8 NE ARG A 1 38.468 24.250 70.260 1.00 0.00 N ATOM 9 CZ ARG A 1 38.160 25.399 70.844 1.00 0.00 C ATOM 10 NH1 ARG A 1 36.959 25.616 71.313 1.00 0.00 N ATOM 11 NH2 ARG A 1 39.063 26.339 70.929 1.00 0.00 N ATOM 0 H1 ARG A 1 41.472 23.962 68.258 1.00 0.00 H new ATOM 0 H2 ARG A 1 42.079 24.408 66.736 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.377 25.578 67.746 1.00 0.00 H new ATOM 0 HA ARG A 1 39.704 23.266 67.019 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.296 25.785 68.232 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.599 25.976 66.635 1.00 0.00 H new ATOM 0 HG2 ARG A 1 36.836 25.388 68.145 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.101 24.024 67.076 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.703 23.394 69.463 1.00 0.00 H new ATOM 0 HD3 ARG A 1 38.188 22.754 68.788 1.00 0.00 H new ATOM 0 HE ARG A 1 39.273 23.731 70.611 1.00 0.00 H new ATOM 0 HH11 ARG A 1 36.242 24.895 71.232 1.00 0.00 H new ATOM 0 HH12 ARG A 1 36.739 26.506 71.760 1.00 0.00 H new ATOM 0 HH21 ARG A 1 39.996 26.185 70.548 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.835 27.227 71.377 1.00 0.00 H new ATOM 27 N ILE A 2 38.885 24.257 64.524 1.00 0.00 N ATOM 28 CA ILE A 2 38.815 24.518 63.076 1.00 0.00 C ATOM 29 C ILE A 2 38.222 25.964 62.891 1.00 0.00 C ATOM 30 O ILE A 2 37.106 26.256 63.319 1.00 0.00 O ATOM 31 CB ILE A 2 37.950 23.532 62.230 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.167 22.023 62.525 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.166 23.798 60.715 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.472 21.460 63.781 1.00 0.00 C ATOM 0 H ILE A 2 38.044 23.835 64.918 1.00 0.00 H new ATOM 0 HA ILE A 2 39.832 24.392 62.704 1.00 0.00 H new ATOM 0 HB ILE A 2 36.923 23.740 62.530 1.00 0.00 H new ATOM 0 HG12 ILE A 2 37.824 21.454 61.661 1.00 0.00 H new ATOM 0 HG13 ILE A 2 39.238 21.844 62.619 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.558 23.105 60.134 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.874 24.822 60.480 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.218 23.654 60.467 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.700 20.398 63.878 1.00 0.00 H new ATOM 0 HD12 ILE A 2 37.830 21.990 64.664 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.394 21.593 63.691 1.00 0.00 H new ATOM 46 N CYS A 3 38.997 26.895 62.214 1.00 0.00 N ATOM 47 CA CYS A 3 38.465 28.196 61.786 1.00 0.00 C ATOM 48 C CYS A 3 38.951 28.428 60.304 1.00 0.00 C ATOM 49 O CYS A 3 40.000 27.944 59.876 1.00 0.00 O ATOM 50 CB CYS A 3 38.802 29.432 62.655 1.00 0.00 C ATOM 51 SG CYS A 3 38.681 29.073 64.442 1.00 0.00 S ATOM 0 H CYS A 3 39.976 26.744 61.969 1.00 0.00 H new ATOM 0 HA CYS A 3 37.383 28.123 61.892 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.811 29.774 62.422 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.123 30.247 62.403 1.00 0.00 H new ATOM 56 N TYR A 4 38.138 29.200 59.492 1.00 0.00 N ATOM 57 CA TYR A 4 38.420 29.329 58.059 1.00 0.00 C ATOM 58 C TYR A 4 39.629 30.256 57.728 1.00 0.00 C ATOM 59 O TYR A 4 40.059 31.069 58.540 1.00 0.00 O ATOM 60 CB TYR A 4 37.225 30.005 57.343 1.00 0.00 C ATOM 61 CG TYR A 4 35.886 29.480 57.797 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.288 29.977 58.954 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.227 28.467 57.116 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.105 29.458 59.442 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.026 27.947 57.572 1.00 0.00 C ATOM 66 CZ TYR A 4 33.437 28.441 58.740 1.00 0.00 C ATOM 67 OH TYR A 4 32.240 27.986 59.209 1.00 0.00 O ATOM 0 H TYR A 4 37.319 29.714 59.816 1.00 0.00 H new ATOM 0 HA TYR A 4 38.624 28.309 57.732 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.265 31.080 57.519 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.322 29.854 56.268 1.00 0.00 H new ATOM 0 HD1 TYR A 4 35.763 30.790 59.483 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.660 28.074 56.208 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.692 29.835 60.366 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.541 27.154 57.021 1.00 0.00 H new ATOM 0 HH TYR A 4 31.902 27.284 58.615 1.00 0.00 H new ATOM 77 N ASN A 5 40.100 30.167 56.426 1.00 0.00 N ATOM 78 CA ASN A 5 41.088 31.128 55.948 1.00 0.00 C ATOM 79 C ASN A 5 40.959 31.032 54.409 1.00 0.00 C ATOM 80 O ASN A 5 41.896 30.617 53.738 1.00 0.00 O ATOM 81 CB ASN A 5 42.524 30.859 56.412 1.00 0.00 C ATOM 82 CG ASN A 5 43.501 31.914 55.896 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.180 32.896 55.248 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.789 31.670 56.223 1.00 0.00 N ATOM 0 H ASN A 5 39.809 29.465 55.746 1.00 0.00 H new ATOM 0 HA ASN A 5 40.893 32.121 56.352 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.555 30.839 57.501 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.838 29.874 56.066 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.521 32.315 55.927 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.029 30.841 56.766 1.00 0.00 H new ATOM 91 N HIS A 6 39.734 31.417 53.886 1.00 0.00 N ATOM 92 CA HIS A 6 39.351 31.468 52.459 1.00 0.00 C ATOM 93 C HIS A 6 39.168 32.951 51.964 1.00 0.00 C ATOM 94 O HIS A 6 39.575 33.899 52.628 1.00 0.00 O ATOM 95 CB HIS A 6 40.151 30.517 51.472 1.00 0.00 C ATOM 96 CG HIS A 6 41.487 30.994 50.984 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.567 30.126 50.717 1.00 0.00 N ATOM 98 CD2 HIS A 6 41.991 32.225 50.691 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.655 30.786 50.330 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.305 32.079 50.281 1.00 0.00 N ATOM 0 H HIS A 6 38.969 31.709 54.494 1.00 0.00 H new ATOM 0 HA HIS A 6 38.368 30.999 52.415 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.297 29.560 51.972 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.522 30.329 50.602 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.455 33.159 50.766 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.623 30.366 50.102 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.915 32.841 49.986 1.00 0.00 H new ATOM 109 N LEU A 7 38.463 33.105 50.788 1.00 0.00 N ATOM 110 CA LEU A 7 38.079 34.368 50.163 1.00 0.00 C ATOM 111 C LEU A 7 39.276 35.201 49.585 1.00 0.00 C ATOM 112 O LEU A 7 40.409 34.739 49.479 1.00 0.00 O ATOM 113 CB LEU A 7 37.136 35.208 51.054 1.00 0.00 C ATOM 114 CG LEU A 7 35.874 34.517 51.624 1.00 0.00 C ATOM 115 CD1 LEU A 7 34.983 35.577 52.292 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.051 33.783 50.554 1.00 0.00 C ATOM 0 H LEU A 7 38.147 32.299 50.249 1.00 0.00 H new ATOM 0 HA LEU A 7 37.504 34.078 49.284 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.718 35.587 51.894 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.811 36.073 50.476 1.00 0.00 H new ATOM 0 HG LEU A 7 36.215 33.769 52.340 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.091 35.100 52.697 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.534 36.060 53.099 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.691 36.325 51.554 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.180 33.320 51.019 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.723 34.494 49.796 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.665 33.013 50.087 1.00 0.00 H new ATOM 128 N GLY A 8 38.947 36.455 49.102 1.00 0.00 N ATOM 129 CA GLY A 8 39.952 37.345 48.517 1.00 0.00 C ATOM 130 C GLY A 8 40.083 37.005 47.019 1.00 0.00 C ATOM 131 O GLY A 8 39.493 37.635 46.147 1.00 0.00 O ATOM 0 H GLY A 8 38.003 36.841 49.118 1.00 0.00 H new ATOM 0 HA2 GLY A 8 39.658 38.387 48.646 1.00 0.00 H new ATOM 0 HA3 GLY A 8 40.910 37.219 49.021 1.00 0.00 H new ATOM 135 N THR A 9 40.915 35.938 46.759 1.00 0.00 N ATOM 136 CA THR A 9 41.243 35.433 45.414 1.00 0.00 C ATOM 137 C THR A 9 40.747 33.965 45.248 1.00 0.00 C ATOM 138 O THR A 9 40.300 33.579 44.170 1.00 0.00 O ATOM 139 CB THR A 9 42.775 35.471 45.150 1.00 0.00 C ATOM 140 OG1 THR A 9 43.338 36.784 45.267 1.00 0.00 O ATOM 141 CG2 THR A 9 43.205 35.002 43.755 1.00 0.00 C ATOM 0 H THR A 9 41.373 35.411 47.503 1.00 0.00 H new ATOM 0 HA THR A 9 40.742 36.082 44.696 1.00 0.00 H new ATOM 0 HB THR A 9 43.139 34.788 45.918 1.00 0.00 H new ATOM 0 HG1 THR A 9 44.301 36.744 45.092 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.290 35.065 43.668 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.889 33.970 43.605 1.00 0.00 H new ATOM 0 HG23 THR A 9 42.743 35.637 42.999 1.00 0.00 H new ATOM 149 N LYS A 10 40.879 33.125 46.341 1.00 0.00 N ATOM 150 CA LYS A 10 40.514 31.693 46.330 1.00 0.00 C ATOM 151 C LYS A 10 39.495 31.417 47.499 1.00 0.00 C ATOM 152 O LYS A 10 39.853 31.660 48.643 1.00 0.00 O ATOM 153 CB LYS A 10 41.732 30.762 46.560 1.00 0.00 C ATOM 154 CG LYS A 10 42.698 30.660 45.362 1.00 0.00 C ATOM 155 CD LYS A 10 43.871 29.691 45.603 1.00 0.00 C ATOM 156 CE LYS A 10 44.854 29.604 44.423 1.00 0.00 C ATOM 157 NZ LYS A 10 44.343 28.610 43.369 1.00 0.00 N ATOM 0 H LYS A 10 41.242 33.442 47.240 1.00 0.00 H new ATOM 0 HA LYS A 10 40.092 31.482 45.348 1.00 0.00 H new ATOM 0 HB2 LYS A 10 42.287 31.119 47.428 1.00 0.00 H new ATOM 0 HB3 LYS A 10 41.369 29.763 46.803 1.00 0.00 H new ATOM 0 HG2 LYS A 10 42.142 30.334 44.483 1.00 0.00 H new ATOM 0 HG3 LYS A 10 43.095 31.651 45.139 1.00 0.00 H new ATOM 0 HD2 LYS A 10 44.414 30.006 46.494 1.00 0.00 H new ATOM 0 HD3 LYS A 10 43.473 28.697 45.807 1.00 0.00 H new ATOM 0 HE2 LYS A 10 44.979 30.589 43.973 1.00 0.00 H new ATOM 0 HE3 LYS A 10 45.835 29.291 44.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 45.018 28.563 42.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 44.247 27.668 43.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 43.417 28.925 43.015 1.00 0.00 H new ATOM 171 N PRO A 11 38.254 30.799 47.256 1.00 0.00 N ATOM 172 CA PRO A 11 37.328 30.549 48.402 1.00 0.00 C ATOM 173 C PRO A 11 37.418 29.216 49.268 1.00 0.00 C ATOM 174 O PRO A 11 36.873 29.271 50.371 1.00 0.00 O ATOM 175 CB PRO A 11 35.903 30.696 47.835 1.00 0.00 C ATOM 176 CG PRO A 11 36.110 31.723 46.718 1.00 0.00 C ATOM 177 CD PRO A 11 37.435 31.252 46.116 1.00 0.00 C ATOM 0 HA PRO A 11 37.643 31.276 49.150 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.516 29.751 47.454 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.198 31.049 48.588 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.299 31.707 45.990 1.00 0.00 H new ATOM 0 HG3 PRO A 11 36.172 32.741 47.103 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.275 30.443 45.403 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.929 32.060 45.576 1.00 0.00 H new ATOM 185 N PRO A 12 38.175 28.097 48.901 1.00 0.00 N ATOM 186 CA PRO A 12 38.099 26.833 49.684 1.00 0.00 C ATOM 187 C PRO A 12 38.963 26.449 50.934 1.00 0.00 C ATOM 188 O PRO A 12 38.535 25.501 51.599 1.00 0.00 O ATOM 189 CB PRO A 12 38.529 25.770 48.650 1.00 0.00 C ATOM 190 CG PRO A 12 37.911 26.286 47.355 1.00 0.00 C ATOM 191 CD PRO A 12 38.212 27.778 47.470 1.00 0.00 C ATOM 0 HA PRO A 12 37.109 26.928 50.131 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.614 25.693 48.577 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.155 24.779 48.909 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.368 25.839 46.472 1.00 0.00 H new ATOM 0 HG3 PRO A 12 36.842 26.083 47.298 1.00 0.00 H new ATOM 0 HD2 PRO A 12 39.188 28.011 47.045 1.00 0.00 H new ATOM 0 HD3 PRO A 12 37.476 28.366 46.921 1.00 0.00 H new ATOM 199 N THR A 13 40.175 27.047 51.279 1.00 0.00 N ATOM 200 CA THR A 13 40.918 26.464 52.415 1.00 0.00 C ATOM 201 C THR A 13 40.259 26.802 53.789 1.00 0.00 C ATOM 202 O THR A 13 39.891 27.925 54.129 1.00 0.00 O ATOM 203 CB THR A 13 42.436 26.764 52.516 1.00 0.00 C ATOM 204 OG1 THR A 13 42.803 28.130 52.662 1.00 0.00 O ATOM 205 CG2 THR A 13 43.224 26.227 51.311 1.00 0.00 C ATOM 0 H THR A 13 40.602 27.852 50.821 1.00 0.00 H new ATOM 0 HA THR A 13 40.847 25.402 52.182 1.00 0.00 H new ATOM 0 HB THR A 13 42.694 26.247 53.440 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.501 28.635 51.879 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.281 26.464 51.433 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.100 25.146 51.247 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.851 26.689 50.397 1.00 0.00 H new ATOM 213 N THR A 14 40.202 25.717 54.634 1.00 0.00 N ATOM 214 CA THR A 14 39.696 25.722 55.995 1.00 0.00 C ATOM 215 C THR A 14 40.778 24.989 56.847 1.00 0.00 C ATOM 216 O THR A 14 41.359 23.978 56.450 1.00 0.00 O ATOM 217 CB THR A 14 38.310 25.102 56.141 1.00 0.00 C ATOM 218 OG1 THR A 14 38.221 23.705 55.868 1.00 0.00 O ATOM 219 CG2 THR A 14 37.270 25.879 55.308 1.00 0.00 C ATOM 0 H THR A 14 40.527 24.795 54.345 1.00 0.00 H new ATOM 0 HA THR A 14 39.541 26.745 56.339 1.00 0.00 H new ATOM 0 HB THR A 14 38.089 25.191 57.205 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.296 23.406 55.991 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.290 25.418 55.428 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.229 26.913 55.650 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.555 25.856 54.256 1.00 0.00 H new ATOM 227 N GLU A 15 41.069 25.580 58.064 1.00 0.00 N ATOM 228 CA GLU A 15 42.323 25.248 58.778 1.00 0.00 C ATOM 229 C GLU A 15 42.014 24.601 60.164 1.00 0.00 C ATOM 230 O GLU A 15 41.504 25.229 61.091 1.00 0.00 O ATOM 231 CB GLU A 15 43.211 26.491 58.975 1.00 0.00 C ATOM 232 CG GLU A 15 44.586 26.250 59.650 1.00 0.00 C ATOM 233 CD GLU A 15 45.598 25.690 58.660 1.00 0.00 C ATOM 234 OE1 GLU A 15 45.844 24.518 58.479 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.215 26.671 57.997 1.00 0.00 O ATOM 0 H GLU A 15 40.470 26.256 58.537 1.00 0.00 H new ATOM 0 HA GLU A 15 42.866 24.533 58.159 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.383 26.947 58.000 1.00 0.00 H new ATOM 0 HB3 GLU A 15 42.658 27.216 59.573 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.959 27.187 60.064 1.00 0.00 H new ATOM 0 HG3 GLU A 15 44.468 25.558 60.483 1.00 0.00 H new ATOM 243 N THR A 16 42.396 23.275 60.308 1.00 0.00 N ATOM 244 CA THR A 16 42.268 22.544 61.583 1.00 0.00 C ATOM 245 C THR A 16 43.551 22.942 62.399 1.00 0.00 C ATOM 246 O THR A 16 44.672 22.589 62.030 1.00 0.00 O ATOM 247 CB THR A 16 42.210 21.000 61.424 1.00 0.00 C ATOM 248 OG1 THR A 16 41.064 20.652 60.640 1.00 0.00 O ATOM 249 CG2 THR A 16 42.168 20.269 62.775 1.00 0.00 C ATOM 0 H THR A 16 42.789 22.718 59.549 1.00 0.00 H new ATOM 0 HA THR A 16 41.329 22.810 62.068 1.00 0.00 H new ATOM 0 HB THR A 16 43.124 20.682 60.922 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.023 19.679 60.535 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.128 19.193 62.605 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.062 20.513 63.349 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.284 20.582 63.331 1.00 0.00 H new ATOM 257 N CYS A 17 43.381 23.677 63.566 1.00 0.00 N ATOM 258 CA CYS A 17 44.532 24.213 64.319 1.00 0.00 C ATOM 259 C CYS A 17 44.595 23.654 65.788 1.00 0.00 C ATOM 260 O CYS A 17 43.580 23.424 66.446 1.00 0.00 O ATOM 261 CB CYS A 17 44.460 25.735 64.391 1.00 0.00 C ATOM 262 SG CYS A 17 46.083 26.543 64.424 1.00 0.00 S ATOM 0 H CYS A 17 42.472 23.893 63.975 1.00 0.00 H new ATOM 0 HA CYS A 17 45.427 23.895 63.783 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.898 26.104 63.533 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.904 26.021 65.283 1.00 0.00 H new ATOM 267 N GLN A 18 45.872 23.531 66.304 1.00 0.00 N ATOM 268 CA GLN A 18 46.208 23.086 67.661 1.00 0.00 C ATOM 269 C GLN A 18 46.439 24.291 68.626 1.00 0.00 C ATOM 270 O GLN A 18 46.463 24.073 69.838 1.00 0.00 O ATOM 271 CB GLN A 18 47.406 22.105 67.713 1.00 0.00 C ATOM 272 CG GLN A 18 48.752 22.585 67.117 1.00 0.00 C ATOM 273 CD GLN A 18 48.654 22.824 65.614 1.00 0.00 C ATOM 274 OE1 GLN A 18 48.677 23.932 65.110 1.00 0.00 O ATOM 275 NE2 GLN A 18 48.500 21.704 64.871 1.00 0.00 N ATOM 0 H GLN A 18 46.700 23.751 65.750 1.00 0.00 H new ATOM 0 HA GLN A 18 45.336 22.529 68.005 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.577 21.838 68.756 1.00 0.00 H new ATOM 0 HB3 GLN A 18 47.115 21.192 67.194 1.00 0.00 H new ATOM 0 HG2 GLN A 18 49.061 23.506 67.612 1.00 0.00 H new ATOM 0 HG3 GLN A 18 49.524 21.842 67.317 1.00 0.00 H new ATOM 0 HE21 GLN A 18 48.485 20.790 65.323 1.00 0.00 H new ATOM 0 HE22 GLN A 18 48.399 21.774 63.858 1.00 0.00 H new ATOM 284 N GLU A 19 46.624 25.579 68.126 1.00 0.00 N ATOM 285 CA GLU A 19 46.625 26.730 69.035 1.00 0.00 C ATOM 286 C GLU A 19 45.100 26.995 69.333 1.00 0.00 C ATOM 287 O GLU A 19 44.264 27.097 68.436 1.00 0.00 O ATOM 288 CB GLU A 19 47.312 27.989 68.470 1.00 0.00 C ATOM 289 CG GLU A 19 48.788 27.812 68.038 1.00 0.00 C ATOM 290 CD GLU A 19 49.706 27.628 69.242 1.00 0.00 C ATOM 291 OE1 GLU A 19 50.201 28.524 69.895 1.00 0.00 O ATOM 292 OE2 GLU A 19 49.932 26.339 69.500 1.00 0.00 O ATOM 0 H GLU A 19 46.765 25.805 67.141 1.00 0.00 H new ATOM 0 HA GLU A 19 47.210 26.506 69.927 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.740 28.337 67.610 1.00 0.00 H new ATOM 0 HB3 GLU A 19 47.265 28.775 69.224 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.874 26.948 67.379 1.00 0.00 H new ATOM 0 HG3 GLU A 19 49.107 28.683 67.466 1.00 0.00 H new ATOM 300 N ASP A 20 44.765 27.121 70.671 1.00 0.00 N ATOM 301 CA ASP A 20 43.426 27.149 71.260 1.00 0.00 C ATOM 302 C ASP A 20 42.525 28.402 70.956 1.00 0.00 C ATOM 303 O ASP A 20 41.533 28.582 71.671 1.00 0.00 O ATOM 304 CB ASP A 20 42.652 25.812 71.288 1.00 0.00 C ATOM 305 CG ASP A 20 41.870 25.373 70.029 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.429 26.266 69.300 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.671 24.159 69.903 1.00 0.00 O ATOM 0 H ASP A 20 45.489 27.209 71.384 1.00 0.00 H new ATOM 0 HA ASP A 20 43.711 27.307 72.300 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.366 25.023 71.524 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.944 25.859 72.116 1.00 0.00 H new ATOM 312 N SER A 21 42.876 29.326 69.991 1.00 0.00 N ATOM 313 CA SER A 21 42.071 30.518 69.748 1.00 0.00 C ATOM 314 C SER A 21 42.278 30.981 68.286 1.00 0.00 C ATOM 315 O SER A 21 43.317 30.772 67.654 1.00 0.00 O ATOM 316 CB SER A 21 42.370 31.733 70.684 1.00 0.00 C ATOM 317 OG SER A 21 41.869 31.596 72.009 1.00 0.00 O ATOM 0 H SER A 21 43.700 29.244 69.395 1.00 0.00 H new ATOM 0 HA SER A 21 41.045 30.214 69.958 1.00 0.00 H new ATOM 0 HB2 SER A 21 43.449 31.882 70.731 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.943 32.632 70.239 1.00 0.00 H new ATOM 0 HG SER A 21 42.613 31.425 72.624 1.00 0.00 H new ATOM 323 N CYS A 22 41.200 31.657 67.752 1.00 0.00 N ATOM 324 CA CYS A 22 41.259 32.101 66.374 1.00 0.00 C ATOM 325 C CYS A 22 40.630 33.498 66.187 1.00 0.00 C ATOM 326 O CYS A 22 39.885 34.005 67.024 1.00 0.00 O ATOM 327 CB CYS A 22 40.705 31.024 65.398 1.00 0.00 C ATOM 328 SG CYS A 22 38.893 30.976 65.223 1.00 0.00 S ATOM 0 H CYS A 22 40.339 31.881 68.251 1.00 0.00 H new ATOM 0 HA CYS A 22 42.309 32.223 66.110 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.143 31.192 64.414 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.045 30.045 65.735 1.00 0.00 H new ATOM 333 N TYR A 23 41.024 34.137 65.034 1.00 0.00 N ATOM 334 CA TYR A 23 40.763 35.559 64.834 1.00 0.00 C ATOM 335 C TYR A 23 39.958 35.856 63.544 1.00 0.00 C ATOM 336 O TYR A 23 40.073 35.165 62.532 1.00 0.00 O ATOM 337 CB TYR A 23 42.124 36.332 64.821 1.00 0.00 C ATOM 338 CG TYR A 23 43.055 36.015 63.663 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.936 36.715 62.467 1.00 0.00 C ATOM 340 CD2 TYR A 23 44.105 35.103 63.770 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.860 36.581 61.443 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.032 34.931 62.747 1.00 0.00 C ATOM 343 CZ TYR A 23 44.931 35.689 61.573 1.00 0.00 C ATOM 344 OH TYR A 23 45.832 35.587 60.544 1.00 0.00 O ATOM 0 H TYR A 23 41.510 33.680 64.262 1.00 0.00 H new ATOM 0 HA TYR A 23 40.141 35.899 65.662 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.913 37.401 64.810 1.00 0.00 H new ATOM 0 HB3 TYR A 23 42.649 36.121 65.753 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.098 37.383 62.332 1.00 0.00 H new ATOM 0 HD2 TYR A 23 44.201 34.515 64.671 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.754 37.167 60.542 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.830 34.212 62.858 1.00 0.00 H new ATOM 0 HH TYR A 23 46.521 34.930 60.776 1.00 0.00 H new ATOM 354 N LYS A 24 39.136 36.970 63.619 1.00 0.00 N ATOM 355 CA LYS A 24 38.313 37.460 62.507 1.00 0.00 C ATOM 356 C LYS A 24 38.945 38.858 62.127 1.00 0.00 C ATOM 357 O LYS A 24 38.876 39.853 62.846 1.00 0.00 O ATOM 358 CB LYS A 24 36.818 37.560 62.862 1.00 0.00 C ATOM 359 CG LYS A 24 35.841 37.751 61.666 1.00 0.00 C ATOM 360 CD LYS A 24 34.910 36.582 61.212 1.00 0.00 C ATOM 361 CE LYS A 24 34.360 35.640 62.288 1.00 0.00 C ATOM 362 NZ LYS A 24 33.406 34.612 61.653 1.00 0.00 N ATOM 0 H LYS A 24 39.046 37.533 64.465 1.00 0.00 H new ATOM 0 HA LYS A 24 38.325 36.767 61.665 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.531 36.655 63.398 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.684 38.394 63.551 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.200 38.599 61.906 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.441 38.039 60.803 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.061 37.017 60.684 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.460 35.979 60.490 1.00 0.00 H new ATOM 0 HE2 LYS A 24 35.182 35.126 62.787 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.833 36.214 63.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.643 34.387 62.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.998 35.009 60.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.933 33.745 61.424 1.00 0.00 H new ATOM 376 N ASN A 25 39.577 38.897 60.900 1.00 0.00 N ATOM 377 CA ASN A 25 40.300 40.038 60.298 1.00 0.00 C ATOM 378 C ASN A 25 39.434 40.356 59.009 1.00 0.00 C ATOM 379 O ASN A 25 39.299 39.533 58.104 1.00 0.00 O ATOM 380 CB ASN A 25 41.737 39.631 60.018 1.00 0.00 C ATOM 381 CG ASN A 25 42.618 40.778 59.591 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.451 41.297 60.309 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.388 41.204 58.335 1.00 0.00 N ATOM 0 H ASN A 25 39.585 38.081 60.288 1.00 0.00 H new ATOM 0 HA ASN A 25 40.395 40.926 60.923 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.158 39.175 60.914 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.745 38.869 59.239 1.00 0.00 H new ATOM 0 HD21 ASN A 25 42.921 41.987 57.956 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.681 40.744 57.762 1.00 0.00 H new ATOM 390 N ILE A 26 38.842 41.624 58.946 1.00 0.00 N ATOM 391 CA ILE A 26 37.584 41.822 58.159 1.00 0.00 C ATOM 392 C ILE A 26 37.547 43.003 57.131 1.00 0.00 C ATOM 393 O ILE A 26 36.739 43.008 56.205 1.00 0.00 O ATOM 394 CB ILE A 26 36.423 41.975 59.168 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.247 43.361 59.848 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.490 40.864 60.237 1.00 0.00 C ATOM 397 CD1 ILE A 26 37.325 43.831 60.842 1.00 0.00 C ATOM 0 H ILE A 26 39.204 42.460 59.406 1.00 0.00 H new ATOM 0 HA ILE A 26 37.504 40.942 57.521 1.00 0.00 H new ATOM 0 HB ILE A 26 35.534 41.880 58.545 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.173 44.110 59.060 1.00 0.00 H new ATOM 0 HG13 ILE A 26 35.292 43.354 60.373 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.666 40.985 60.940 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.415 39.890 59.754 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.437 40.931 60.773 1.00 0.00 H new ATOM 0 HD11 ILE A 26 37.059 44.814 61.230 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.393 43.122 61.667 1.00 0.00 H new ATOM 0 HD13 ILE A 26 38.288 43.890 60.334 1.00 0.00 H new ATOM 409 N TRP A 27 38.411 44.045 57.380 1.00 0.00 N ATOM 410 CA TRP A 27 38.838 45.155 56.529 1.00 0.00 C ATOM 411 C TRP A 27 39.576 44.533 55.269 1.00 0.00 C ATOM 412 O TRP A 27 38.939 44.067 54.331 1.00 0.00 O ATOM 413 CB TRP A 27 39.792 46.091 57.358 1.00 0.00 C ATOM 414 CG TRP A 27 40.669 45.350 58.340 1.00 0.00 C ATOM 415 CD1 TRP A 27 40.932 43.956 58.350 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.208 45.790 59.543 1.00 0.00 C ATOM 417 NE1 TRP A 27 41.431 43.521 59.535 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.652 44.677 60.261 1.00 0.00 C ATOM 419 CE3 TRP A 27 41.298 47.061 60.153 1.00 0.00 C ATOM 420 CZ2 TRP A 27 42.162 44.716 61.515 1.00 0.00 C ATOM 421 CZ3 TRP A 27 41.846 47.148 61.423 1.00 0.00 C ATOM 422 CH2 TRP A 27 42.274 45.985 62.102 1.00 0.00 C ATOM 0 H TRP A 27 38.862 44.111 58.293 1.00 0.00 H new ATOM 0 HA TRP A 27 37.995 45.756 56.188 1.00 0.00 H new ATOM 0 HB2 TRP A 27 40.425 46.650 56.670 1.00 0.00 H new ATOM 0 HB3 TRP A 27 39.190 46.820 57.901 1.00 0.00 H new ATOM 0 HD1 TRP A 27 40.754 43.309 57.504 1.00 0.00 H new ATOM 0 HE1 TRP A 27 41.604 42.558 59.825 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.948 47.945 59.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.466 43.819 62.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 41.947 48.113 61.898 1.00 0.00 H new ATOM 0 HH2 TRP A 27 42.696 46.075 63.092 1.00 0.00 H new ATOM 433 N THR A 28 40.970 44.553 55.255 1.00 0.00 N ATOM 434 CA THR A 28 41.813 44.095 54.141 1.00 0.00 C ATOM 435 C THR A 28 41.755 45.138 52.967 1.00 0.00 C ATOM 436 O THR A 28 40.797 45.885 52.776 1.00 0.00 O ATOM 437 CB THR A 28 41.579 42.665 53.585 1.00 0.00 C ATOM 438 OG1 THR A 28 42.545 42.296 52.599 1.00 0.00 O ATOM 439 CG2 THR A 28 41.446 41.539 54.622 1.00 0.00 C ATOM 0 H THR A 28 41.515 44.899 56.045 1.00 0.00 H new ATOM 0 HA THR A 28 42.802 44.025 54.593 1.00 0.00 H new ATOM 0 HB THR A 28 40.594 42.758 53.128 1.00 0.00 H new ATOM 0 HG1 THR A 28 42.099 42.169 51.736 1.00 0.00 H new ATOM 0 HG21 THR A 28 41.286 40.590 54.110 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.358 41.482 55.216 1.00 0.00 H new ATOM 0 HG23 THR A 28 40.599 41.746 55.277 1.00 0.00 H new ATOM 447 N PHE A 29 42.863 45.152 52.141 1.00 0.00 N ATOM 448 CA PHE A 29 42.961 46.063 50.999 1.00 0.00 C ATOM 449 C PHE A 29 41.920 45.658 49.909 1.00 0.00 C ATOM 450 O PHE A 29 41.418 46.520 49.188 1.00 0.00 O ATOM 451 CB PHE A 29 44.378 46.104 50.374 1.00 0.00 C ATOM 452 CG PHE A 29 45.451 46.048 51.445 1.00 0.00 C ATOM 453 CD1 PHE A 29 45.815 47.175 52.186 1.00 0.00 C ATOM 454 CD2 PHE A 29 46.047 44.824 51.771 1.00 0.00 C ATOM 455 CE1 PHE A 29 46.736 47.085 53.232 1.00 0.00 C ATOM 456 CE2 PHE A 29 46.963 44.716 52.816 1.00 0.00 C ATOM 457 CZ PHE A 29 47.309 45.850 53.558 1.00 0.00 C ATOM 0 H PHE A 29 43.672 44.544 52.265 1.00 0.00 H new ATOM 0 HA PHE A 29 42.750 47.064 51.376 1.00 0.00 H new ATOM 0 HB2 PHE A 29 44.500 45.265 49.688 1.00 0.00 H new ATOM 0 HB3 PHE A 29 44.493 47.015 49.787 1.00 0.00 H new ATOM 0 HD1 PHE A 29 45.377 48.132 51.946 1.00 0.00 H new ATOM 0 HD2 PHE A 29 45.791 43.944 51.200 1.00 0.00 H new ATOM 0 HE1 PHE A 29 47.006 47.969 53.790 1.00 0.00 H new ATOM 0 HE2 PHE A 29 47.404 43.759 53.052 1.00 0.00 H new ATOM 0 HZ PHE A 29 48.012 45.774 54.375 1.00 0.00 H new ATOM 467 N ASP A 30 41.620 44.313 49.783 1.00 0.00 N ATOM 468 CA ASP A 30 40.651 43.728 48.870 1.00 0.00 C ATOM 469 C ASP A 30 39.172 43.786 49.425 1.00 0.00 C ATOM 470 O ASP A 30 38.274 43.357 48.699 1.00 0.00 O ATOM 471 CB ASP A 30 41.098 42.322 48.413 1.00 0.00 C ATOM 472 CG ASP A 30 41.335 41.242 49.501 1.00 0.00 C ATOM 473 OD1 ASP A 30 41.006 41.544 50.647 1.00 0.00 O ATOM 474 OD2 ASP A 30 41.860 40.191 49.115 1.00 0.00 O ATOM 0 H ASP A 30 42.085 43.607 50.354 1.00 0.00 H new ATOM 0 HA ASP A 30 40.625 44.347 47.973 1.00 0.00 H new ATOM 0 HB2 ASP A 30 40.345 41.941 47.723 1.00 0.00 H new ATOM 0 HB3 ASP A 30 42.023 42.434 47.847 1.00 0.00 H new ATOM 479 N ASN A 31 38.863 44.362 50.660 1.00 0.00 N ATOM 480 CA ASN A 31 37.502 44.560 51.181 1.00 0.00 C ATOM 481 C ASN A 31 36.902 43.136 51.445 1.00 0.00 C ATOM 482 O ASN A 31 35.956 42.739 50.765 1.00 0.00 O ATOM 483 CB ASN A 31 36.618 45.466 50.297 1.00 0.00 C ATOM 484 CG ASN A 31 37.315 46.782 49.971 1.00 0.00 C ATOM 485 OD1 ASN A 31 37.327 47.736 50.726 1.00 0.00 O ATOM 486 ND2 ASN A 31 37.919 46.813 48.761 1.00 0.00 N ATOM 0 H ASN A 31 39.584 44.693 51.301 1.00 0.00 H new ATOM 0 HA ASN A 31 37.539 45.122 52.115 1.00 0.00 H new ATOM 0 HB2 ASN A 31 36.372 44.945 49.372 1.00 0.00 H new ATOM 0 HB3 ASN A 31 35.677 45.669 50.809 1.00 0.00 H new ATOM 0 HD21 ASN A 31 38.405 47.656 48.455 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.888 45.994 48.154 1.00 0.00 H new ATOM 493 N ILE A 32 37.432 42.375 52.487 1.00 0.00 N ATOM 494 CA ILE A 32 36.992 40.989 52.627 1.00 0.00 C ATOM 495 C ILE A 32 37.287 40.363 54.034 1.00 0.00 C ATOM 496 O ILE A 32 38.152 40.804 54.788 1.00 0.00 O ATOM 497 CB ILE A 32 37.667 40.051 51.573 1.00 0.00 C ATOM 498 CG1 ILE A 32 36.823 38.857 51.076 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.033 39.543 52.088 1.00 0.00 C ATOM 500 CD1 ILE A 32 35.531 39.208 50.322 1.00 0.00 C ATOM 0 H ILE A 32 38.111 42.700 53.175 1.00 0.00 H new ATOM 0 HA ILE A 32 35.914 41.048 52.478 1.00 0.00 H new ATOM 0 HB ILE A 32 37.787 40.691 50.699 1.00 0.00 H new ATOM 0 HG12 ILE A 32 37.446 38.245 50.423 1.00 0.00 H new ATOM 0 HG13 ILE A 32 36.561 38.241 51.936 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.485 38.892 51.339 1.00 0.00 H new ATOM 0 HG22 ILE A 32 39.690 40.392 52.275 1.00 0.00 H new ATOM 0 HG23 ILE A 32 38.888 38.986 53.013 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.024 38.291 50.023 1.00 0.00 H new ATOM 0 HD12 ILE A 32 34.877 39.789 50.972 1.00 0.00 H new ATOM 0 HD13 ILE A 32 35.775 39.794 49.436 1.00 0.00 H new ATOM 512 N ILE A 33 36.563 39.214 54.320 1.00 0.00 N ATOM 513 CA ILE A 33 36.762 38.455 55.569 1.00 0.00 C ATOM 514 C ILE A 33 37.790 37.318 55.220 1.00 0.00 C ATOM 515 O ILE A 33 37.454 36.260 54.689 1.00 0.00 O ATOM 516 CB ILE A 33 35.478 37.914 56.208 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.384 38.997 56.378 1.00 0.00 C ATOM 518 CG2 ILE A 33 35.795 37.230 57.552 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.025 38.460 56.857 1.00 0.00 C ATOM 0 H ILE A 33 35.856 38.820 53.699 1.00 0.00 H new ATOM 0 HA ILE A 33 37.141 39.122 56.343 1.00 0.00 H new ATOM 0 HB ILE A 33 35.068 37.174 55.521 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.737 39.743 57.090 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.244 39.507 55.425 1.00 0.00 H new ATOM 0 HG21 ILE A 33 34.873 36.851 57.994 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.485 36.403 57.385 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.252 37.952 58.229 1.00 0.00 H new ATOM 0 HD11 ILE A 33 32.319 39.286 56.949 1.00 0.00 H new ATOM 0 HD12 ILE A 33 32.645 37.736 56.136 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.146 37.977 57.827 1.00 0.00 H new ATOM 531 N ARG A 34 39.110 37.561 55.554 1.00 0.00 N ATOM 532 CA ARG A 34 40.202 36.624 55.242 1.00 0.00 C ATOM 533 C ARG A 34 41.108 36.698 56.500 1.00 0.00 C ATOM 534 O ARG A 34 41.694 37.713 56.872 1.00 0.00 O ATOM 535 CB ARG A 34 40.945 36.938 53.943 1.00 0.00 C ATOM 536 CG ARG A 34 42.047 35.928 53.581 1.00 0.00 C ATOM 537 CD ARG A 34 42.373 35.953 52.076 1.00 0.00 C ATOM 538 NE ARG A 34 42.896 37.180 51.431 1.00 0.00 N ATOM 539 CZ ARG A 34 43.385 38.270 51.998 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.018 38.222 53.139 1.00 0.00 N ATOM 541 NH2 ARG A 34 43.244 39.419 51.394 1.00 0.00 N ATOM 0 H ARG A 34 39.418 38.404 56.038 1.00 0.00 H new ATOM 0 HA ARG A 34 39.831 35.618 55.046 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.224 36.978 53.127 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.390 37.930 54.024 1.00 0.00 H new ATOM 0 HG2 ARG A 34 42.948 36.153 54.152 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.730 34.925 53.868 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.099 35.161 51.893 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.461 35.677 51.547 1.00 0.00 H new ATOM 0 HE ARG A 34 42.876 37.185 50.411 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.145 37.329 53.615 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.385 39.078 53.555 1.00 0.00 H new ATOM 0 HH21 ARG A 34 42.762 39.468 50.497 1.00 0.00 H new ATOM 0 HH22 ARG A 34 43.616 40.268 51.820 1.00 0.00 H new ATOM 555 N ARG A 35 41.164 35.507 57.205 1.00 0.00 N ATOM 556 CA ARG A 35 41.554 35.481 58.600 1.00 0.00 C ATOM 557 C ARG A 35 42.044 34.078 59.037 1.00 0.00 C ATOM 558 O ARG A 35 42.352 33.260 58.175 1.00 0.00 O ATOM 559 CB ARG A 35 40.364 36.062 59.397 1.00 0.00 C ATOM 560 CG ARG A 35 38.935 35.522 59.140 1.00 0.00 C ATOM 561 CD ARG A 35 38.621 34.069 59.514 1.00 0.00 C ATOM 562 NE ARG A 35 37.244 33.615 59.147 1.00 0.00 N ATOM 563 CZ ARG A 35 36.687 33.708 57.946 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.412 33.842 56.867 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.390 33.676 57.843 1.00 0.00 N ATOM 0 H ARG A 35 40.943 34.594 56.808 1.00 0.00 H new ATOM 0 HA ARG A 35 42.428 36.100 58.800 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.581 35.921 60.456 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.344 37.137 59.216 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.237 36.161 59.681 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.721 35.644 58.078 1.00 0.00 H new ATOM 0 HD2 ARG A 35 39.346 33.417 59.026 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.755 33.947 60.589 1.00 0.00 H new ATOM 0 HE ARG A 35 36.682 33.196 59.887 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.429 33.877 56.937 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.961 33.911 55.955 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.814 33.580 58.679 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.949 33.747 56.926 1.00 0.00 H new ATOM 579 N GLY A 36 42.201 33.818 60.393 1.00 0.00 N ATOM 580 CA GLY A 36 42.841 32.524 60.660 1.00 0.00 C ATOM 581 C GLY A 36 43.114 32.107 62.115 1.00 0.00 C ATOM 582 O GLY A 36 42.538 32.631 63.059 1.00 0.00 O ATOM 0 H GLY A 36 41.932 34.401 61.185 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.219 31.751 60.209 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.794 32.515 60.132 1.00 0.00 H new ATOM 586 N CYS A 37 44.013 31.059 62.245 1.00 0.00 N ATOM 587 CA CYS A 37 44.365 30.457 63.539 1.00 0.00 C ATOM 588 C CYS A 37 45.545 31.271 64.178 1.00 0.00 C ATOM 589 O CYS A 37 46.664 31.308 63.667 1.00 0.00 O ATOM 590 CB CYS A 37 44.801 28.992 63.394 1.00 0.00 C ATOM 591 SG CYS A 37 45.345 28.371 65.016 1.00 0.00 S ATOM 0 H CYS A 37 44.492 30.633 61.451 1.00 0.00 H new ATOM 0 HA CYS A 37 43.478 30.486 64.171 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.975 28.389 63.018 1.00 0.00 H new ATOM 0 HB3 CYS A 37 45.611 28.910 62.669 1.00 0.00 H new ATOM 596 N GLY A 38 45.261 31.996 65.333 1.00 0.00 N ATOM 597 CA GLY A 38 46.374 32.636 66.023 1.00 0.00 C ATOM 598 C GLY A 38 45.809 33.083 67.378 1.00 0.00 C ATOM 599 O GLY A 38 45.942 32.389 68.381 1.00 0.00 O ATOM 0 H GLY A 38 44.338 32.124 65.748 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.206 31.944 66.153 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.752 33.486 65.455 1.00 0.00 H new ATOM 603 N CYS A 39 45.109 34.284 67.384 1.00 0.00 N ATOM 604 CA CYS A 39 44.600 34.802 68.648 1.00 0.00 C ATOM 605 C CYS A 39 45.765 35.156 69.617 1.00 0.00 C ATOM 606 O CYS A 39 46.878 35.481 69.211 1.00 0.00 O ATOM 607 CB CYS A 39 43.661 36.007 68.457 1.00 0.00 C ATOM 608 SG CYS A 39 43.275 36.914 69.988 1.00 0.00 S ATOM 0 H CYS A 39 44.912 34.855 66.562 1.00 0.00 H new ATOM 0 HA CYS A 39 44.006 34.005 69.096 1.00 0.00 H new ATOM 0 HB2 CYS A 39 44.116 36.697 67.746 1.00 0.00 H new ATOM 0 HB3 CYS A 39 42.729 35.658 68.012 1.00 0.00 H new ATOM 613 N PHE A 40 45.431 35.100 70.960 1.00 0.00 N ATOM 614 CA PHE A 40 46.406 35.273 72.029 1.00 0.00 C ATOM 615 C PHE A 40 47.204 36.594 71.705 1.00 0.00 C ATOM 616 O PHE A 40 48.432 36.568 71.710 1.00 0.00 O ATOM 617 CB PHE A 40 47.277 34.005 72.226 1.00 0.00 C ATOM 618 CG PHE A 40 46.457 32.719 72.355 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.578 32.495 73.422 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.518 31.729 71.363 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.779 31.355 73.483 1.00 0.00 C ATOM 622 CE2 PHE A 40 45.714 30.591 71.399 1.00 0.00 C ATOM 623 CZ PHE A 40 44.854 30.391 72.479 1.00 0.00 C ATOM 0 H PHE A 40 44.481 34.934 71.293 1.00 0.00 H new ATOM 0 HA PHE A 40 45.929 35.391 73.002 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.961 33.908 71.383 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.889 34.128 73.120 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.518 33.224 74.217 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.211 31.853 70.544 1.00 0.00 H new ATOM 0 HE1 PHE A 40 44.099 31.218 74.311 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.757 29.869 70.597 1.00 0.00 H new ATOM 0 HZ PHE A 40 44.251 29.497 72.537 1.00 0.00 H new ATOM 735 N GLY A 48 44.710 44.611 67.434 1.00 0.00 N ATOM 736 CA GLY A 48 44.722 43.435 66.564 1.00 0.00 C ATOM 737 C GLY A 48 43.337 43.141 65.930 1.00 0.00 C ATOM 738 O GLY A 48 42.353 43.837 66.176 1.00 0.00 O ATOM 0 HA2 GLY A 48 45.455 43.583 65.771 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.045 42.567 67.139 1.00 0.00 H new ATOM 742 N PRO A 49 43.293 42.051 65.069 1.00 0.00 N ATOM 743 CA PRO A 49 41.983 41.572 64.612 1.00 0.00 C ATOM 744 C PRO A 49 41.170 41.122 65.870 1.00 0.00 C ATOM 745 O PRO A 49 41.711 40.778 66.922 1.00 0.00 O ATOM 746 CB PRO A 49 42.305 40.386 63.699 1.00 0.00 C ATOM 747 CG PRO A 49 43.547 39.806 64.374 1.00 0.00 C ATOM 748 CD PRO A 49 44.332 41.064 64.769 1.00 0.00 C ATOM 0 HA PRO A 49 41.391 42.320 64.084 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.487 39.667 63.658 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.505 40.700 62.674 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.290 39.199 65.242 1.00 0.00 H new ATOM 0 HG3 PRO A 49 44.116 39.169 63.697 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.970 40.881 65.634 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.980 41.400 63.960 1.00 0.00 H new ATOM 756 N TYR A 50 39.786 41.130 65.724 1.00 0.00 N ATOM 757 CA TYR A 50 38.980 40.740 66.890 1.00 0.00 C ATOM 758 C TYR A 50 39.053 39.197 67.099 1.00 0.00 C ATOM 759 O TYR A 50 39.144 38.430 66.140 1.00 0.00 O ATOM 760 CB TYR A 50 37.480 41.225 66.952 1.00 0.00 C ATOM 761 CG TYR A 50 36.457 40.392 66.206 1.00 0.00 C ATOM 762 CD1 TYR A 50 35.827 39.308 66.821 1.00 0.00 C ATOM 763 CD2 TYR A 50 36.024 40.745 64.930 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.801 38.610 66.203 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.973 40.085 64.309 1.00 0.00 C ATOM 766 CZ TYR A 50 34.335 39.017 64.949 1.00 0.00 C ATOM 767 OH TYR A 50 33.277 38.361 64.357 1.00 0.00 O ATOM 0 H TYR A 50 39.272 41.382 64.880 1.00 0.00 H new ATOM 0 HA TYR A 50 39.449 41.290 67.706 1.00 0.00 H new ATOM 0 HB2 TYR A 50 37.181 41.270 67.999 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.437 42.243 66.564 1.00 0.00 H new ATOM 0 HD1 TYR A 50 36.148 39.005 67.806 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.519 41.553 64.411 1.00 0.00 H new ATOM 0 HE1 TYR A 50 34.362 37.752 66.690 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.646 40.397 63.328 1.00 0.00 H new ATOM 0 HH TYR A 50 33.081 38.772 63.489 1.00 0.00 H new ATOM 777 N CYS A 51 38.982 38.742 68.409 1.00 0.00 N ATOM 778 CA CYS A 51 39.226 37.323 68.699 1.00 0.00 C ATOM 779 C CYS A 51 38.023 36.556 69.326 1.00 0.00 C ATOM 780 O CYS A 51 37.147 37.081 70.006 1.00 0.00 O ATOM 781 CB CYS A 51 40.439 37.147 69.625 1.00 0.00 C ATOM 782 SG CYS A 51 41.883 38.094 69.056 1.00 0.00 S ATOM 0 H CYS A 51 38.768 39.323 69.219 1.00 0.00 H new ATOM 0 HA CYS A 51 39.407 36.886 67.717 1.00 0.00 H new ATOM 0 HB2 CYS A 51 40.173 37.465 70.633 1.00 0.00 H new ATOM 0 HB3 CYS A 51 40.700 36.090 69.682 1.00 0.00 H new ATOM 787 N CYS A 52 38.104 35.207 69.072 1.00 0.00 N ATOM 788 CA CYS A 52 37.155 34.174 69.459 1.00 0.00 C ATOM 789 C CYS A 52 37.892 32.925 70.045 1.00 0.00 C ATOM 790 O CYS A 52 39.100 32.754 69.884 1.00 0.00 O ATOM 791 CB CYS A 52 36.441 33.744 68.190 1.00 0.00 C ATOM 792 SG CYS A 52 35.084 32.551 68.361 1.00 0.00 S ATOM 0 H CYS A 52 38.894 34.817 68.558 1.00 0.00 H new ATOM 0 HA CYS A 52 36.474 34.562 70.217 1.00 0.00 H new ATOM 0 HB2 CYS A 52 36.046 34.637 67.706 1.00 0.00 H new ATOM 0 HB3 CYS A 52 37.182 33.317 67.514 1.00 0.00 H new ATOM 797 N GLU A 53 37.088 32.001 70.678 1.00 0.00 N ATOM 798 CA GLU A 53 37.662 30.798 71.283 1.00 0.00 C ATOM 799 C GLU A 53 36.647 29.614 71.163 1.00 0.00 C ATOM 800 O GLU A 53 36.460 28.840 72.101 1.00 0.00 O ATOM 801 CB GLU A 53 38.161 31.097 72.715 1.00 0.00 C ATOM 802 CG GLU A 53 37.180 31.835 73.656 1.00 0.00 C ATOM 803 CD GLU A 53 37.858 32.115 74.991 1.00 0.00 C ATOM 804 OE1 GLU A 53 38.470 33.130 75.267 1.00 0.00 O ATOM 805 OE2 GLU A 53 37.695 31.095 75.838 1.00 0.00 O ATOM 0 H GLU A 53 36.075 32.084 70.768 1.00 0.00 H new ATOM 0 HA GLU A 53 38.552 30.478 70.742 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.435 30.152 73.184 1.00 0.00 H new ATOM 0 HB3 GLU A 53 39.072 31.691 72.640 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.857 32.770 73.199 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.286 31.231 73.811 1.00 0.00 H new ATOM 813 N SER A 54 36.052 29.438 69.924 1.00 0.00 N ATOM 814 CA SER A 54 35.007 28.436 69.658 1.00 0.00 C ATOM 815 C SER A 54 35.204 27.677 68.302 1.00 0.00 C ATOM 816 O SER A 54 36.119 27.983 67.539 1.00 0.00 O ATOM 817 CB SER A 54 33.592 29.051 69.666 1.00 0.00 C ATOM 818 OG SER A 54 33.369 29.851 68.508 1.00 0.00 O ATOM 0 H SER A 54 36.299 29.995 69.106 1.00 0.00 H new ATOM 0 HA SER A 54 35.105 27.721 70.475 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.848 28.256 69.710 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.462 29.659 70.561 1.00 0.00 H new ATOM 0 HG SER A 54 34.040 30.564 68.469 1.00 0.00 H new ATOM 824 N ASP A 55 34.323 26.627 68.047 1.00 0.00 N ATOM 825 CA ASP A 55 34.373 25.967 66.735 1.00 0.00 C ATOM 826 C ASP A 55 33.727 26.953 65.692 1.00 0.00 C ATOM 827 O ASP A 55 32.630 27.483 65.867 1.00 0.00 O ATOM 828 CB ASP A 55 33.668 24.593 66.644 1.00 0.00 C ATOM 829 CG ASP A 55 33.891 23.924 65.258 1.00 0.00 C ATOM 830 OD1 ASP A 55 35.004 24.103 64.746 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.948 23.280 64.792 1.00 0.00 O ATOM 0 H ASP A 55 33.629 26.264 68.701 1.00 0.00 H new ATOM 0 HA ASP A 55 35.422 25.749 66.535 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.045 23.938 67.429 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.600 24.720 66.820 1.00 0.00 H new ATOM 836 N LYS A 56 34.487 27.187 64.556 1.00 0.00 N ATOM 837 CA LYS A 56 34.128 27.969 63.379 1.00 0.00 C ATOM 838 C LYS A 56 34.141 29.503 63.633 1.00 0.00 C ATOM 839 O LYS A 56 34.756 30.228 62.852 1.00 0.00 O ATOM 840 CB LYS A 56 32.825 27.554 62.673 1.00 0.00 C ATOM 841 CG LYS A 56 32.756 26.065 62.265 1.00 0.00 C ATOM 842 CD LYS A 56 33.935 25.485 61.461 1.00 0.00 C ATOM 843 CE LYS A 56 33.755 23.978 61.264 1.00 0.00 C ATOM 844 NZ LYS A 56 34.047 23.267 62.600 1.00 0.00 N ATOM 0 H LYS A 56 35.423 26.792 64.467 1.00 0.00 H new ATOM 0 HA LYS A 56 34.931 27.724 62.684 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.985 27.775 63.331 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.701 28.167 61.780 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.647 25.473 63.174 1.00 0.00 H new ATOM 0 HG3 LYS A 56 31.848 25.920 61.680 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.001 25.980 60.492 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.871 25.681 61.984 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.740 23.759 60.933 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.429 23.615 60.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.377 22.299 62.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.782 23.790 63.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.179 23.232 63.172 1.00 0.00 H new ATOM 858 N CYS A 57 33.395 29.986 64.689 1.00 0.00 N ATOM 859 CA CYS A 57 33.240 31.392 65.054 1.00 0.00 C ATOM 860 C CYS A 57 32.278 32.123 64.048 1.00 0.00 C ATOM 861 O CYS A 57 32.495 33.293 63.735 1.00 0.00 O ATOM 862 CB CYS A 57 34.560 32.128 65.330 1.00 0.00 C ATOM 863 SG CYS A 57 35.517 31.415 66.713 1.00 0.00 S ATOM 0 H CYS A 57 32.880 29.364 65.312 1.00 0.00 H new ATOM 0 HA CYS A 57 32.754 31.417 66.030 1.00 0.00 H new ATOM 0 HB2 CYS A 57 35.172 32.110 64.428 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.345 33.174 65.549 1.00 0.00 H new ATOM 868 N ASN A 58 31.162 31.430 63.591 1.00 0.00 N ATOM 869 CA ASN A 58 30.068 32.026 62.823 1.00 0.00 C ATOM 870 C ASN A 58 30.705 32.684 61.556 1.00 0.00 C ATOM 871 O ASN A 58 30.715 33.905 61.423 1.00 0.00 O ATOM 872 CB ASN A 58 29.026 32.935 63.591 1.00 0.00 C ATOM 873 CG ASN A 58 29.493 33.541 64.918 1.00 0.00 C ATOM 874 OD1 ASN A 58 29.896 32.877 65.856 1.00 0.00 O ATOM 875 ND2 ASN A 58 29.353 34.882 65.006 1.00 0.00 N ATOM 0 H ASN A 58 31.029 30.434 63.766 1.00 0.00 H new ATOM 0 HA ASN A 58 29.388 31.220 62.549 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.731 33.750 62.929 1.00 0.00 H new ATOM 0 HB3 ASN A 58 28.132 32.341 63.783 1.00 0.00 H new ATOM 0 HD21 ASN A 58 29.587 35.363 65.874 1.00 0.00 H new ATOM 0 HD22 ASN A 58 29.013 35.413 64.204 1.00 0.00 H new ATOM 882 N LEU A 59 31.193 31.799 60.603 1.00 0.00 N ATOM 883 CA LEU A 59 31.728 32.143 59.265 1.00 0.00 C ATOM 884 C LEU A 59 32.874 33.209 59.505 1.00 0.00 C ATOM 885 O LEU A 59 32.652 34.391 59.224 1.00 0.00 O ATOM 886 CB LEU A 59 30.611 32.506 58.269 1.00 0.00 C ATOM 887 CG LEU A 59 30.916 32.456 56.748 1.00 0.00 C ATOM 888 CD1 LEU A 59 31.412 31.089 56.243 1.00 0.00 C ATOM 889 CD2 LEU A 59 29.635 32.808 55.967 1.00 0.00 C ATOM 890 OXT LEU A 59 33.924 32.775 60.006 1.00 0.00 O ATOM 0 H LEU A 59 31.215 30.794 60.776 1.00 0.00 H new ATOM 0 HA LEU A 59 32.183 31.295 58.754 1.00 0.00 H new ATOM 0 HB2 LEU A 59 29.771 31.838 58.459 1.00 0.00 H new ATOM 0 HB3 LEU A 59 30.275 33.516 58.505 1.00 0.00 H new ATOM 0 HG LEU A 59 31.721 33.172 56.582 1.00 0.00 H new ATOM 0 HD11 LEU A 59 31.601 31.144 55.171 1.00 0.00 H new ATOM 0 HD12 LEU A 59 32.334 30.822 56.760 1.00 0.00 H new ATOM 0 HD13 LEU A 59 30.653 30.331 56.440 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.841 32.775 54.897 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.852 32.089 56.208 1.00 0.00 H new ATOM 0 HD23 LEU A 59 29.305 33.810 56.242 1.00 0.00 H new