USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=14 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= -0.765 K(o=-0.3,f=-2.2) USER MOD Set 1.2: A 13 THR OG1 : rot -53:sc= 0.464 USER MOD Single : A 1 ARG N :NH3+ -139:sc= 1.2! (180deg=-3.1!) USER MOD Single : A 4 TYR OH : rot 30:sc= -0.104 USER MOD Single : A 5 ASN : amide:sc=-0.000593 K(o=-0.00059,f=-0.95) USER MOD Single : A 9 THR OG1 : rot 21:sc= 1.12 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= -1.36! C(o=-1.4!,f=-1.9!) USER MOD Single : A 21 SER OG : rot -79:sc= 0.896 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= -1.05! (180deg=-1.33!) USER MOD Single : A 25 ASN :FLIP amide:sc= -2.71! C(o=-4.2!,f=-2.7!) USER MOD Single : A 28 THR OG1 : rot -110:sc= 1.22 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 180:sc= 0.183 USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= -0.423! (180deg=-0.669!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.405 25.465 67.647 1.00 0.00 N ATOM 2 CA ARG A 1 39.052 25.181 66.960 1.00 0.00 C ATOM 3 C ARG A 1 39.220 25.308 65.392 1.00 0.00 C ATOM 4 O ARG A 1 40.283 25.697 64.920 1.00 0.00 O ATOM 5 CB ARG A 1 37.962 26.162 67.495 1.00 0.00 C ATOM 6 CG ARG A 1 36.818 25.575 68.365 1.00 0.00 C ATOM 7 CD ARG A 1 37.192 24.640 69.563 1.00 0.00 C ATOM 8 NE ARG A 1 37.036 25.101 70.968 1.00 0.00 N ATOM 9 CZ ARG A 1 37.130 26.316 71.487 1.00 0.00 C ATOM 10 NH1 ARG A 1 37.776 27.279 70.893 1.00 0.00 N ATOM 11 NH2 ARG A 1 36.516 26.567 72.617 1.00 0.00 N ATOM 0 H1 ARG A 1 40.546 24.793 68.428 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.175 25.358 66.956 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.408 26.436 68.021 1.00 0.00 H new ATOM 0 HA ARG A 1 38.729 24.166 67.191 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.464 26.933 68.079 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.508 26.658 66.637 1.00 0.00 H new ATOM 0 HG2 ARG A 1 36.244 26.411 68.764 1.00 0.00 H new ATOM 0 HG3 ARG A 1 36.153 25.018 67.705 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.599 23.731 69.457 1.00 0.00 H new ATOM 0 HD3 ARG A 1 38.236 24.356 69.433 1.00 0.00 H new ATOM 0 HE ARG A 1 36.822 24.364 71.640 1.00 0.00 H new ATOM 0 HH11 ARG A 1 38.232 27.110 69.996 1.00 0.00 H new ATOM 0 HH12 ARG A 1 37.826 28.202 71.325 1.00 0.00 H new ATOM 0 HH21 ARG A 1 35.979 25.833 73.079 1.00 0.00 H new ATOM 0 HH22 ARG A 1 36.575 27.496 73.034 1.00 0.00 H new ATOM 27 N ILE A 2 38.143 24.933 64.583 1.00 0.00 N ATOM 28 CA ILE A 2 38.218 25.049 63.100 1.00 0.00 C ATOM 29 C ILE A 2 37.854 26.529 62.738 1.00 0.00 C ATOM 30 O ILE A 2 36.791 27.036 63.107 1.00 0.00 O ATOM 31 CB ILE A 2 37.253 24.195 62.217 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.383 22.658 62.353 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.390 24.550 60.703 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.132 22.041 63.737 1.00 0.00 C ATOM 0 H ILE A 2 37.260 24.566 64.937 1.00 0.00 H new ATOM 0 HA ILE A 2 39.223 24.691 62.877 1.00 0.00 H new ATOM 0 HB ILE A 2 36.273 24.466 62.610 1.00 0.00 H new ATOM 0 HG12 ILE A 2 36.688 22.199 61.650 1.00 0.00 H new ATOM 0 HG13 ILE A 2 38.388 22.377 62.037 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.703 23.935 60.122 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.151 25.603 60.553 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.412 24.360 60.376 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.258 20.960 63.682 1.00 0.00 H new ATOM 0 HD12 ILE A 2 37.843 22.453 64.453 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.117 22.272 64.060 1.00 0.00 H new ATOM 46 N CYS A 3 38.748 27.216 61.930 1.00 0.00 N ATOM 47 CA CYS A 3 38.417 28.544 61.419 1.00 0.00 C ATOM 48 C CYS A 3 39.028 28.638 59.968 1.00 0.00 C ATOM 49 O CYS A 3 40.121 28.156 59.676 1.00 0.00 O ATOM 50 CB CYS A 3 38.844 29.699 62.341 1.00 0.00 C ATOM 51 SG CYS A 3 38.627 29.201 64.092 1.00 0.00 S ATOM 0 H CYS A 3 39.661 26.861 61.646 1.00 0.00 H new ATOM 0 HA CYS A 3 37.334 28.664 61.384 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.885 29.961 62.153 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.248 30.587 62.128 1.00 0.00 H new ATOM 56 N TYR A 4 38.252 29.273 59.011 1.00 0.00 N ATOM 57 CA TYR A 4 38.563 29.163 57.576 1.00 0.00 C ATOM 58 C TYR A 4 39.658 30.150 57.067 1.00 0.00 C ATOM 59 O TYR A 4 39.936 31.157 57.710 1.00 0.00 O ATOM 60 CB TYR A 4 37.280 29.487 56.765 1.00 0.00 C ATOM 61 CG TYR A 4 36.033 28.903 57.398 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.640 27.594 57.155 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.283 29.637 58.317 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.537 27.036 57.776 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.184 29.095 58.963 1.00 0.00 C ATOM 66 CZ TYR A 4 33.775 27.790 58.674 1.00 0.00 C ATOM 67 OH TYR A 4 32.657 27.226 59.225 1.00 0.00 O ATOM 0 H TYR A 4 37.435 29.845 59.225 1.00 0.00 H new ATOM 0 HA TYR A 4 38.935 28.148 57.437 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.170 30.568 56.682 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.386 29.098 55.752 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.211 26.994 56.462 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.567 30.657 58.531 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.263 26.013 57.566 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.643 29.681 59.691 1.00 0.00 H new ATOM 0 HH TYR A 4 32.781 26.257 59.297 1.00 0.00 H new ATOM 77 N ASN A 5 40.226 29.882 55.828 1.00 0.00 N ATOM 78 CA ASN A 5 41.161 30.845 55.236 1.00 0.00 C ATOM 79 C ASN A 5 40.997 30.721 53.692 1.00 0.00 C ATOM 80 O ASN A 5 41.980 30.597 52.968 1.00 0.00 O ATOM 81 CB ASN A 5 42.606 30.681 55.712 1.00 0.00 C ATOM 82 CG ASN A 5 43.485 31.890 55.408 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.160 32.809 54.680 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.681 31.871 56.034 1.00 0.00 N ATOM 0 H ASN A 5 40.047 29.047 55.270 1.00 0.00 H new ATOM 0 HA ASN A 5 40.919 31.855 55.567 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.608 30.501 56.787 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.038 29.799 55.240 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.338 32.640 55.902 1.00 0.00 H new ATOM 0 HD22 ASN A 5 44.928 31.088 56.639 1.00 0.00 H new ATOM 91 N HIS A 6 39.701 30.761 53.201 1.00 0.00 N ATOM 92 CA HIS A 6 39.321 30.719 51.783 1.00 0.00 C ATOM 93 C HIS A 6 39.264 32.170 51.205 1.00 0.00 C ATOM 94 O HIS A 6 39.949 33.066 51.694 1.00 0.00 O ATOM 95 CB HIS A 6 40.019 29.653 50.843 1.00 0.00 C ATOM 96 CG HIS A 6 41.319 29.979 50.175 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.060 29.022 49.438 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.047 31.122 50.026 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.170 29.541 48.924 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.174 30.834 49.276 1.00 0.00 N ATOM 0 H HIS A 6 38.893 30.825 53.820 1.00 0.00 H new ATOM 0 HA HIS A 6 38.319 30.290 51.780 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.177 28.752 51.436 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.307 29.397 50.058 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.788 32.091 50.427 1.00 0.00 H new ATOM 0 HE1 HIS A 6 43.918 29.025 48.340 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.900 31.506 49.028 1.00 0.00 H new ATOM 109 N LEU A 7 38.372 32.422 50.179 1.00 0.00 N ATOM 110 CA LEU A 7 38.191 33.777 49.673 1.00 0.00 C ATOM 111 C LEU A 7 39.496 34.353 49.007 1.00 0.00 C ATOM 112 O LEU A 7 40.453 33.638 48.714 1.00 0.00 O ATOM 113 CB LEU A 7 37.523 34.706 50.716 1.00 0.00 C ATOM 114 CG LEU A 7 36.193 34.211 51.354 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.446 35.387 52.004 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.226 33.577 50.342 1.00 0.00 C ATOM 0 H LEU A 7 37.801 31.712 49.721 1.00 0.00 H new ATOM 0 HA LEU A 7 37.475 33.727 48.853 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.238 34.883 51.519 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.333 35.668 50.240 1.00 0.00 H new ATOM 0 HG LEU A 7 36.487 33.455 52.082 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.517 35.028 52.447 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.070 35.830 52.780 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.220 36.138 51.247 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.321 33.255 50.856 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.968 34.310 49.577 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.703 32.716 49.873 1.00 0.00 H new ATOM 128 N GLY A 8 39.444 35.691 48.649 1.00 0.00 N ATOM 129 CA GLY A 8 40.535 36.333 47.898 1.00 0.00 C ATOM 130 C GLY A 8 40.290 36.226 46.374 1.00 0.00 C ATOM 131 O GLY A 8 40.475 37.201 45.656 1.00 0.00 O ATOM 0 H GLY A 8 38.666 36.311 48.874 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.613 37.381 48.186 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.484 35.861 48.152 1.00 0.00 H new ATOM 135 N THR A 9 39.929 34.976 45.898 1.00 0.00 N ATOM 136 CA THR A 9 39.690 34.599 44.499 1.00 0.00 C ATOM 137 C THR A 9 39.360 33.068 44.515 1.00 0.00 C ATOM 138 O THR A 9 38.514 32.593 43.762 1.00 0.00 O ATOM 139 CB THR A 9 40.864 34.777 43.473 1.00 0.00 C ATOM 140 OG1 THR A 9 41.271 36.134 43.283 1.00 0.00 O ATOM 141 CG2 THR A 9 40.527 34.316 42.046 1.00 0.00 C ATOM 0 H THR A 9 39.798 34.187 46.531 1.00 0.00 H new ATOM 0 HA THR A 9 38.909 35.277 44.154 1.00 0.00 H new ATOM 0 HB THR A 9 41.640 34.168 43.936 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.985 36.672 44.051 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.391 34.473 41.400 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.269 33.257 42.057 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.682 34.891 41.668 1.00 0.00 H new ATOM 149 N LYS A 10 40.074 32.290 45.412 1.00 0.00 N ATOM 150 CA LYS A 10 40.026 30.823 45.530 1.00 0.00 C ATOM 151 C LYS A 10 39.233 30.398 46.828 1.00 0.00 C ATOM 152 O LYS A 10 39.675 30.723 47.921 1.00 0.00 O ATOM 153 CB LYS A 10 41.485 30.324 45.664 1.00 0.00 C ATOM 154 CG LYS A 10 42.422 30.598 44.457 1.00 0.00 C ATOM 155 CD LYS A 10 41.864 30.103 43.107 1.00 0.00 C ATOM 156 CE LYS A 10 42.722 30.483 41.897 1.00 0.00 C ATOM 157 NZ LYS A 10 42.006 30.067 40.604 1.00 0.00 N ATOM 0 H LYS A 10 40.715 32.708 46.086 1.00 0.00 H new ATOM 0 HA LYS A 10 39.528 30.397 44.659 1.00 0.00 H new ATOM 0 HB2 LYS A 10 41.924 30.785 46.549 1.00 0.00 H new ATOM 0 HB3 LYS A 10 41.463 29.249 45.842 1.00 0.00 H new ATOM 0 HG2 LYS A 10 42.609 31.670 44.391 1.00 0.00 H new ATOM 0 HG3 LYS A 10 43.383 30.118 44.640 1.00 0.00 H new ATOM 0 HD2 LYS A 10 41.766 29.018 43.143 1.00 0.00 H new ATOM 0 HD3 LYS A 10 40.862 30.509 42.970 1.00 0.00 H new ATOM 0 HE2 LYS A 10 42.906 31.557 41.893 1.00 0.00 H new ATOM 0 HE3 LYS A 10 43.694 29.993 41.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 42.591 30.326 39.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 41.852 29.038 40.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 41.089 30.554 40.543 1.00 0.00 H new ATOM 171 N PRO A 11 38.105 29.562 46.737 1.00 0.00 N ATOM 172 CA PRO A 11 37.416 29.116 47.985 1.00 0.00 C ATOM 173 C PRO A 11 37.872 27.788 48.744 1.00 0.00 C ATOM 174 O PRO A 11 37.303 27.590 49.818 1.00 0.00 O ATOM 175 CB PRO A 11 35.927 28.977 47.612 1.00 0.00 C ATOM 176 CG PRO A 11 35.761 30.013 46.498 1.00 0.00 C ATOM 177 CD PRO A 11 37.069 29.842 45.725 1.00 0.00 C ATOM 0 HA PRO A 11 37.683 29.876 48.719 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.688 27.971 47.268 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.276 29.187 48.460 1.00 0.00 H new ATOM 0 HG2 PRO A 11 34.888 29.811 45.877 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.646 31.023 46.891 1.00 0.00 H new ATOM 0 HD2 PRO A 11 36.994 29.025 45.007 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.309 30.743 45.160 1.00 0.00 H new ATOM 185 N PRO A 12 38.948 26.968 48.364 1.00 0.00 N ATOM 186 CA PRO A 12 39.152 25.680 49.084 1.00 0.00 C ATOM 187 C PRO A 12 39.886 25.484 50.468 1.00 0.00 C ATOM 188 O PRO A 12 39.605 24.440 51.062 1.00 0.00 O ATOM 189 CB PRO A 12 39.949 24.829 48.074 1.00 0.00 C ATOM 190 CG PRO A 12 39.363 25.254 46.726 1.00 0.00 C ATOM 191 CD PRO A 12 39.170 26.757 46.928 1.00 0.00 C ATOM 0 HA PRO A 12 38.134 25.452 49.399 1.00 0.00 H new ATOM 0 HB2 PRO A 12 41.018 25.032 48.131 1.00 0.00 H new ATOM 0 HB3 PRO A 12 39.817 23.762 48.253 1.00 0.00 H new ATOM 0 HG2 PRO A 12 40.039 25.036 45.899 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.423 24.746 46.511 1.00 0.00 H new ATOM 0 HD2 PRO A 12 40.046 27.308 46.587 1.00 0.00 H new ATOM 0 HD3 PRO A 12 38.321 27.119 46.348 1.00 0.00 H new ATOM 199 N THR A 13 40.834 26.350 51.011 1.00 0.00 N ATOM 200 CA THR A 13 41.503 26.020 52.292 1.00 0.00 C ATOM 201 C THR A 13 40.670 26.453 53.555 1.00 0.00 C ATOM 202 O THR A 13 40.277 27.594 53.777 1.00 0.00 O ATOM 203 CB THR A 13 42.942 26.581 52.511 1.00 0.00 C ATOM 204 OG1 THR A 13 43.152 27.954 52.178 1.00 0.00 O ATOM 205 CG2 THR A 13 44.027 25.765 51.793 1.00 0.00 C ATOM 0 H THR A 13 41.123 27.232 50.588 1.00 0.00 H new ATOM 0 HA THR A 13 41.576 24.937 52.192 1.00 0.00 H new ATOM 0 HB THR A 13 43.031 26.491 53.594 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.847 28.119 51.261 1.00 0.00 H new ATOM 0 HG21 THR A 13 45.004 26.209 51.986 1.00 0.00 H new ATOM 0 HG22 THR A 13 44.015 24.739 52.162 1.00 0.00 H new ATOM 0 HG23 THR A 13 43.834 25.767 50.720 1.00 0.00 H new ATOM 213 N THR A 14 40.522 25.435 54.474 1.00 0.00 N ATOM 214 CA THR A 14 39.967 25.518 55.824 1.00 0.00 C ATOM 215 C THR A 14 41.069 24.981 56.787 1.00 0.00 C ATOM 216 O THR A 14 41.768 24.012 56.482 1.00 0.00 O ATOM 217 CB THR A 14 38.702 24.691 56.017 1.00 0.00 C ATOM 218 OG1 THR A 14 38.886 23.287 55.817 1.00 0.00 O ATOM 219 CG2 THR A 14 37.584 25.132 55.059 1.00 0.00 C ATOM 0 H THR A 14 40.815 24.484 54.249 1.00 0.00 H new ATOM 0 HA THR A 14 39.686 26.553 56.020 1.00 0.00 H new ATOM 0 HB THR A 14 38.431 24.869 57.058 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.035 22.822 55.959 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.698 24.519 55.227 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.341 26.179 55.241 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.919 25.011 54.029 1.00 0.00 H new ATOM 227 N GLU A 15 41.193 25.618 58.006 1.00 0.00 N ATOM 228 CA GLU A 15 42.344 25.325 58.887 1.00 0.00 C ATOM 229 C GLU A 15 41.807 24.618 60.170 1.00 0.00 C ATOM 230 O GLU A 15 41.257 25.252 61.072 1.00 0.00 O ATOM 231 CB GLU A 15 43.162 26.589 59.230 1.00 0.00 C ATOM 232 CG GLU A 15 43.780 27.301 58.006 1.00 0.00 C ATOM 233 CD GLU A 15 44.460 28.587 58.469 1.00 0.00 C ATOM 234 OE1 GLU A 15 43.892 29.591 58.851 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.786 28.488 58.409 1.00 0.00 O ATOM 0 H GLU A 15 40.533 26.304 58.372 1.00 0.00 H new ATOM 0 HA GLU A 15 43.037 24.667 58.363 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.517 27.292 59.757 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.962 26.314 59.917 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.503 26.648 57.516 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.007 27.527 57.272 1.00 0.00 H new ATOM 243 N THR A 16 41.971 23.230 60.244 1.00 0.00 N ATOM 244 CA THR A 16 41.693 22.564 61.528 1.00 0.00 C ATOM 245 C THR A 16 42.852 23.058 62.453 1.00 0.00 C ATOM 246 O THR A 16 44.033 22.866 62.153 1.00 0.00 O ATOM 247 CB THR A 16 41.578 21.008 61.561 1.00 0.00 C ATOM 248 OG1 THR A 16 40.874 20.687 62.764 1.00 0.00 O ATOM 249 CG2 THR A 16 42.895 20.210 61.508 1.00 0.00 C ATOM 0 H THR A 16 42.270 22.624 59.480 1.00 0.00 H new ATOM 0 HA THR A 16 40.682 22.834 61.833 1.00 0.00 H new ATOM 0 HB THR A 16 41.069 20.711 60.644 1.00 0.00 H new ATOM 0 HG1 THR A 16 40.772 19.715 62.834 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.675 19.143 61.538 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.426 20.445 60.586 1.00 0.00 H new ATOM 0 HG23 THR A 16 43.517 20.476 62.363 1.00 0.00 H new ATOM 257 N CYS A 17 42.511 23.722 63.625 1.00 0.00 N ATOM 258 CA CYS A 17 43.578 24.333 64.416 1.00 0.00 C ATOM 259 C CYS A 17 43.398 24.080 65.940 1.00 0.00 C ATOM 260 O CYS A 17 42.313 24.036 66.517 1.00 0.00 O ATOM 261 CB CYS A 17 43.671 25.821 64.131 1.00 0.00 C ATOM 262 SG CYS A 17 45.319 26.525 64.406 1.00 0.00 S ATOM 0 H CYS A 17 41.566 23.826 63.995 1.00 0.00 H new ATOM 0 HA CYS A 17 44.512 23.857 64.117 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.379 26.001 63.096 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.953 26.346 64.761 1.00 0.00 H new ATOM 267 N GLN A 18 44.603 23.991 66.594 1.00 0.00 N ATOM 268 CA GLN A 18 44.781 23.781 68.025 1.00 0.00 C ATOM 269 C GLN A 18 44.960 25.137 68.773 1.00 0.00 C ATOM 270 O GLN A 18 45.025 25.139 70.003 1.00 0.00 O ATOM 271 CB GLN A 18 45.981 22.857 68.295 1.00 0.00 C ATOM 272 CG GLN A 18 47.379 23.482 68.047 1.00 0.00 C ATOM 273 CD GLN A 18 47.692 23.743 66.572 1.00 0.00 C ATOM 274 OE1 GLN A 18 47.369 22.990 65.671 1.00 0.00 O ATOM 275 NE2 GLN A 18 48.389 24.877 66.337 1.00 0.00 N ATOM 0 H GLN A 18 45.491 24.070 66.098 1.00 0.00 H new ATOM 0 HA GLN A 18 43.880 23.299 68.406 1.00 0.00 H new ATOM 0 HB2 GLN A 18 45.932 22.521 69.331 1.00 0.00 H new ATOM 0 HB3 GLN A 18 45.883 21.971 67.668 1.00 0.00 H new ATOM 0 HG2 GLN A 18 47.447 24.422 68.594 1.00 0.00 H new ATOM 0 HG3 GLN A 18 48.140 22.818 68.457 1.00 0.00 H new ATOM 0 HE21 GLN A 18 48.645 25.488 67.112 1.00 0.00 H new ATOM 0 HE22 GLN A 18 48.659 25.122 65.384 1.00 0.00 H new ATOM 284 N GLU A 19 45.072 26.322 68.049 1.00 0.00 N ATOM 285 CA GLU A 19 45.138 27.620 68.720 1.00 0.00 C ATOM 286 C GLU A 19 43.699 27.782 69.321 1.00 0.00 C ATOM 287 O GLU A 19 42.721 27.916 68.587 1.00 0.00 O ATOM 288 CB GLU A 19 45.449 28.773 67.747 1.00 0.00 C ATOM 289 CG GLU A 19 46.768 28.670 66.948 1.00 0.00 C ATOM 290 CD GLU A 19 47.967 28.711 67.880 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.569 27.746 68.301 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.302 29.967 68.182 1.00 0.00 O ATOM 0 H GLU A 19 45.115 26.368 67.031 1.00 0.00 H new ATOM 0 HA GLU A 19 45.936 27.657 69.461 1.00 0.00 H new ATOM 0 HB2 GLU A 19 44.626 28.850 67.037 1.00 0.00 H new ATOM 0 HB3 GLU A 19 45.467 29.703 68.316 1.00 0.00 H new ATOM 0 HG2 GLU A 19 46.779 27.744 66.374 1.00 0.00 H new ATOM 0 HG3 GLU A 19 46.830 29.490 66.232 1.00 0.00 H new ATOM 300 N ASP A 20 43.602 27.804 70.705 1.00 0.00 N ATOM 301 CA ASP A 20 42.381 27.893 71.516 1.00 0.00 C ATOM 302 C ASP A 20 41.541 29.204 71.255 1.00 0.00 C ATOM 303 O ASP A 20 40.555 29.444 71.959 1.00 0.00 O ATOM 304 CB ASP A 20 41.511 26.625 71.633 1.00 0.00 C ATOM 305 CG ASP A 20 40.806 26.148 70.337 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.201 27.010 69.688 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.882 24.945 70.068 1.00 0.00 O ATOM 0 H ASP A 20 44.437 27.756 71.289 1.00 0.00 H new ATOM 0 HA ASP A 20 42.795 27.975 72.521 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.139 25.813 71.998 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.748 26.803 72.391 1.00 0.00 H new ATOM 312 N SER A 21 41.971 30.115 70.309 1.00 0.00 N ATOM 313 CA SER A 21 41.214 31.292 69.931 1.00 0.00 C ATOM 314 C SER A 21 41.519 31.550 68.427 1.00 0.00 C ATOM 315 O SER A 21 42.625 31.322 67.927 1.00 0.00 O ATOM 316 CB SER A 21 41.493 32.557 70.763 1.00 0.00 C ATOM 317 OG SER A 21 42.818 33.073 70.718 1.00 0.00 O ATOM 0 H SER A 21 42.855 30.021 69.809 1.00 0.00 H new ATOM 0 HA SER A 21 40.161 31.087 70.125 1.00 0.00 H new ATOM 0 HB2 SER A 21 40.812 33.340 70.430 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.247 32.341 71.803 1.00 0.00 H new ATOM 0 HG SER A 21 43.396 32.542 71.305 1.00 0.00 H new ATOM 323 N CYS A 22 40.465 32.029 67.674 1.00 0.00 N ATOM 324 CA CYS A 22 40.669 32.332 66.269 1.00 0.00 C ATOM 325 C CYS A 22 40.003 33.674 65.886 1.00 0.00 C ATOM 326 O CYS A 22 38.986 34.113 66.422 1.00 0.00 O ATOM 327 CB CYS A 22 40.260 31.172 65.333 1.00 0.00 C ATOM 328 SG CYS A 22 38.478 30.989 65.085 1.00 0.00 S ATOM 0 H CYS A 22 39.522 32.196 68.026 1.00 0.00 H new ATOM 0 HA CYS A 22 41.743 32.449 66.122 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.734 31.322 64.363 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.654 30.240 65.739 1.00 0.00 H new ATOM 333 N TYR A 23 40.660 34.325 64.864 1.00 0.00 N ATOM 334 CA TYR A 23 40.431 35.738 64.573 1.00 0.00 C ATOM 335 C TYR A 23 39.821 36.006 63.174 1.00 0.00 C ATOM 336 O TYR A 23 40.061 35.280 62.210 1.00 0.00 O ATOM 337 CB TYR A 23 41.802 36.490 64.690 1.00 0.00 C ATOM 338 CG TYR A 23 42.912 36.042 63.747 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.975 36.508 62.435 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.953 35.218 64.179 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.040 36.213 61.598 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.033 34.910 63.359 1.00 0.00 C ATOM 343 CZ TYR A 23 45.105 35.420 62.060 1.00 0.00 C ATOM 344 OH TYR A 23 46.159 35.182 61.226 1.00 0.00 O ATOM 0 H TYR A 23 41.339 33.876 64.250 1.00 0.00 H new ATOM 0 HA TYR A 23 39.699 36.099 65.295 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.623 37.552 64.524 1.00 0.00 H new ATOM 0 HB3 TYR A 23 42.162 36.384 65.713 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.168 37.119 62.058 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.919 34.808 65.178 1.00 0.00 H new ATOM 0 HE1 TYR A 23 44.052 36.594 60.587 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.822 34.272 63.729 1.00 0.00 H new ATOM 0 HH TYR A 23 46.818 34.620 61.684 1.00 0.00 H new ATOM 354 N LYS A 24 39.031 37.145 63.101 1.00 0.00 N ATOM 355 CA LYS A 24 38.360 37.592 61.872 1.00 0.00 C ATOM 356 C LYS A 24 38.984 38.977 61.494 1.00 0.00 C ATOM 357 O LYS A 24 38.867 39.994 62.175 1.00 0.00 O ATOM 358 CB LYS A 24 36.827 37.700 61.956 1.00 0.00 C ATOM 359 CG LYS A 24 36.109 36.343 62.095 1.00 0.00 C ATOM 360 CD LYS A 24 36.042 35.779 63.531 1.00 0.00 C ATOM 361 CE LYS A 24 36.071 34.254 63.523 1.00 0.00 C ATOM 362 NZ LYS A 24 34.900 33.745 62.672 1.00 0.00 N ATOM 0 H LYS A 24 38.861 37.754 63.901 1.00 0.00 H new ATOM 0 HA LYS A 24 38.525 36.829 61.111 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.563 38.328 62.807 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.459 38.204 61.062 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.093 36.447 61.715 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.614 35.616 61.459 1.00 0.00 H new ATOM 0 HD2 LYS A 24 36.881 36.159 64.114 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.131 36.126 64.019 1.00 0.00 H new ATOM 0 HE2 LYS A 24 37.017 33.896 63.117 1.00 0.00 H new ATOM 0 HE3 LYS A 24 35.995 33.869 64.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.887 32.705 62.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.006 34.107 63.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 35.012 34.077 61.693 1.00 0.00 H new ATOM 376 N ASN A 25 39.660 38.975 60.293 1.00 0.00 N ATOM 377 CA ASN A 25 40.429 40.089 59.720 1.00 0.00 C ATOM 378 C ASN A 25 39.626 40.390 58.388 1.00 0.00 C ATOM 379 O ASN A 25 39.682 39.625 57.426 1.00 0.00 O ATOM 380 CB ASN A 25 41.860 39.609 59.541 1.00 0.00 C ATOM 381 CG ASN A 25 42.812 40.701 59.134 1.00 0.00 C ATOM 382 OD1 ASN A 25 42.525 41.235 57.938 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 43.740 41.095 59.812 1.00 0.00 N flip ATOM 0 H ASN A 25 39.670 38.152 59.690 1.00 0.00 H new ATOM 0 HA ASN A 25 40.521 41.002 60.308 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.206 39.166 60.475 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.879 38.821 58.788 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.929 40.665 60.717 1.00 0.00 H new ATOM 0 HD22 ASN A 25 44.330 41.856 59.476 1.00 0.00 H new ATOM 390 N ILE A 26 38.867 41.564 58.353 1.00 0.00 N ATOM 391 CA ILE A 26 37.709 41.733 57.411 1.00 0.00 C ATOM 392 C ILE A 26 37.862 42.730 56.203 1.00 0.00 C ATOM 393 O ILE A 26 37.147 42.633 55.208 1.00 0.00 O ATOM 394 CB ILE A 26 36.436 42.126 58.215 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.192 43.644 58.435 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.303 41.361 59.552 1.00 0.00 C ATOM 397 CD1 ILE A 26 37.176 44.401 59.340 1.00 0.00 C ATOM 0 H ILE A 26 39.042 42.371 58.952 1.00 0.00 H new ATOM 0 HA ILE A 26 37.646 40.754 56.935 1.00 0.00 H new ATOM 0 HB ILE A 26 35.642 41.808 57.539 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.193 44.129 57.459 1.00 0.00 H new ATOM 0 HG13 ILE A 26 35.192 43.766 58.851 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.396 41.680 60.065 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.251 40.290 59.355 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.168 41.573 60.180 1.00 0.00 H new ATOM 0 HD11 ILE A 26 36.882 45.449 59.401 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.164 43.962 60.338 1.00 0.00 H new ATOM 0 HD13 ILE A 26 38.181 44.330 58.924 1.00 0.00 H new ATOM 409 N TRP A 27 38.773 43.739 56.379 1.00 0.00 N ATOM 410 CA TRP A 27 39.269 44.836 55.541 1.00 0.00 C ATOM 411 C TRP A 27 40.225 44.209 54.444 1.00 0.00 C ATOM 412 O TRP A 27 39.758 43.662 53.454 1.00 0.00 O ATOM 413 CB TRP A 27 40.017 45.885 56.460 1.00 0.00 C ATOM 414 CG TRP A 27 40.620 45.251 57.691 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.084 43.910 57.755 1.00 0.00 C ATOM 416 CD2 TRP A 27 40.621 45.671 59.021 1.00 0.00 C ATOM 417 NE1 TRP A 27 41.233 43.469 59.035 1.00 0.00 N ATOM 418 CE2 TRP A 27 40.970 44.577 59.817 1.00 0.00 C ATOM 419 CE3 TRP A 27 40.193 46.850 59.683 1.00 0.00 C ATOM 420 CZ2 TRP A 27 40.926 44.544 61.172 1.00 0.00 C ATOM 421 CZ3 TRP A 27 40.143 46.860 61.070 1.00 0.00 C ATOM 422 CH2 TRP A 27 40.511 45.719 61.813 1.00 0.00 C ATOM 0 H TRP A 27 39.246 43.788 57.281 1.00 0.00 H new ATOM 0 HA TRP A 27 38.459 45.363 55.037 1.00 0.00 H new ATOM 0 HB2 TRP A 27 40.804 46.372 55.884 1.00 0.00 H new ATOM 0 HB3 TRP A 27 39.316 46.663 56.763 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.295 43.307 56.885 1.00 0.00 H new ATOM 0 HE1 TRP A 27 41.483 42.530 59.347 1.00 0.00 H new ATOM 0 HE3 TRP A 27 39.911 47.726 59.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 41.197 43.659 61.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 39.819 47.752 61.586 1.00 0.00 H new ATOM 0 HH2 TRP A 27 40.472 45.751 62.892 1.00 0.00 H new ATOM 433 N THR A 28 41.602 44.318 54.619 1.00 0.00 N ATOM 434 CA THR A 28 42.623 43.747 53.724 1.00 0.00 C ATOM 435 C THR A 28 42.811 44.595 52.416 1.00 0.00 C ATOM 436 O THR A 28 41.955 45.381 52.017 1.00 0.00 O ATOM 437 CB THR A 28 42.492 42.236 53.390 1.00 0.00 C ATOM 438 OG1 THR A 28 43.621 41.738 52.673 1.00 0.00 O ATOM 439 CG2 THR A 28 42.234 41.340 54.608 1.00 0.00 C ATOM 0 H THR A 28 42.009 44.820 55.409 1.00 0.00 H new ATOM 0 HA THR A 28 43.527 43.809 54.329 1.00 0.00 H new ATOM 0 HB THR A 28 41.607 42.186 52.756 1.00 0.00 H new ATOM 0 HG1 THR A 28 43.360 41.538 51.750 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.156 40.302 54.286 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.058 41.440 55.314 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.304 41.641 55.091 1.00 0.00 H new ATOM 447 N PHE A 29 44.015 44.411 51.748 1.00 0.00 N ATOM 448 CA PHE A 29 44.315 45.143 50.520 1.00 0.00 C ATOM 449 C PHE A 29 43.485 44.576 49.327 1.00 0.00 C ATOM 450 O PHE A 29 43.056 45.343 48.466 1.00 0.00 O ATOM 451 CB PHE A 29 45.813 45.215 50.192 1.00 0.00 C ATOM 452 CG PHE A 29 46.044 46.144 49.017 1.00 0.00 C ATOM 453 CD1 PHE A 29 45.618 47.477 49.063 1.00 0.00 C ATOM 454 CD2 PHE A 29 46.651 45.691 47.843 1.00 0.00 C ATOM 455 CE1 PHE A 29 45.733 48.317 47.958 1.00 0.00 C ATOM 456 CE2 PHE A 29 46.793 46.525 46.733 1.00 0.00 C ATOM 457 CZ PHE A 29 46.316 47.841 46.779 1.00 0.00 C ATOM 0 H PHE A 29 44.751 43.775 52.055 1.00 0.00 H new ATOM 0 HA PHE A 29 44.014 46.176 50.694 1.00 0.00 H new ATOM 0 HB2 PHE A 29 46.367 45.570 51.061 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.190 44.219 49.958 1.00 0.00 H new ATOM 0 HD1 PHE A 29 45.190 47.863 49.977 1.00 0.00 H new ATOM 0 HD2 PHE A 29 47.017 44.676 47.793 1.00 0.00 H new ATOM 0 HE1 PHE A 29 45.373 49.334 48.011 1.00 0.00 H new ATOM 0 HE2 PHE A 29 47.271 46.155 45.838 1.00 0.00 H new ATOM 0 HZ PHE A 29 46.397 48.482 45.913 1.00 0.00 H new ATOM 467 N ASP A 30 43.243 43.216 49.288 1.00 0.00 N ATOM 468 CA ASP A 30 42.388 42.538 48.320 1.00 0.00 C ATOM 469 C ASP A 30 40.850 42.679 48.680 1.00 0.00 C ATOM 470 O ASP A 30 40.017 42.139 47.953 1.00 0.00 O ATOM 471 CB ASP A 30 42.849 41.085 48.090 1.00 0.00 C ATOM 472 CG ASP A 30 42.942 40.144 49.315 1.00 0.00 C ATOM 473 OD1 ASP A 30 42.807 40.658 50.428 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.204 38.963 49.060 1.00 0.00 O ATOM 0 H ASP A 30 43.662 42.573 49.959 1.00 0.00 H new ATOM 0 HA ASP A 30 42.498 43.042 47.360 1.00 0.00 H new ATOM 0 HB2 ASP A 30 42.168 40.629 47.371 1.00 0.00 H new ATOM 0 HB3 ASP A 30 43.832 41.118 47.620 1.00 0.00 H new ATOM 479 N ASN A 31 40.449 43.448 49.774 1.00 0.00 N ATOM 480 CA ASN A 31 39.082 43.847 50.120 1.00 0.00 C ATOM 481 C ASN A 31 38.240 42.573 50.453 1.00 0.00 C ATOM 482 O ASN A 31 37.301 42.242 49.731 1.00 0.00 O ATOM 483 CB ASN A 31 38.460 44.806 49.096 1.00 0.00 C ATOM 484 CG ASN A 31 39.341 46.047 48.977 1.00 0.00 C ATOM 485 OD1 ASN A 31 39.403 46.900 49.844 1.00 0.00 O ATOM 486 ND2 ASN A 31 40.064 46.125 47.838 1.00 0.00 N ATOM 0 H ASN A 31 41.129 43.804 50.446 1.00 0.00 H new ATOM 0 HA ASN A 31 39.097 44.454 51.025 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.369 44.315 48.127 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.454 45.087 49.407 1.00 0.00 H new ATOM 0 HD21 ASN A 31 40.687 46.917 47.683 1.00 0.00 H new ATOM 0 HD22 ASN A 31 39.987 45.391 47.134 1.00 0.00 H new ATOM 493 N ILE A 32 38.553 41.901 51.631 1.00 0.00 N ATOM 494 CA ILE A 32 37.890 40.645 51.945 1.00 0.00 C ATOM 495 C ILE A 32 38.098 40.130 53.414 1.00 0.00 C ATOM 496 O ILE A 32 39.033 40.498 54.122 1.00 0.00 O ATOM 497 CB ILE A 32 38.437 39.521 51.023 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.530 38.282 50.867 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.861 39.129 51.477 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.049 38.611 50.574 1.00 0.00 C ATOM 0 H ILE A 32 39.231 42.220 52.322 1.00 0.00 H new ATOM 0 HA ILE A 32 36.830 40.857 51.803 1.00 0.00 H new ATOM 0 HB ILE A 32 38.460 39.946 50.019 1.00 0.00 H new ATOM 0 HG12 ILE A 32 37.919 37.661 50.060 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.585 37.689 51.780 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.245 38.340 50.830 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.515 39.999 51.416 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.829 38.771 52.506 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.482 37.685 50.479 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.640 39.205 51.391 1.00 0.00 H new ATOM 0 HD13 ILE A 32 35.979 39.176 49.645 1.00 0.00 H new ATOM 512 N ILE A 33 37.194 39.150 53.812 1.00 0.00 N ATOM 513 CA ILE A 33 37.344 38.397 55.067 1.00 0.00 C ATOM 514 C ILE A 33 38.324 37.218 54.725 1.00 0.00 C ATOM 515 O ILE A 33 37.947 36.209 54.131 1.00 0.00 O ATOM 516 CB ILE A 33 36.049 37.845 55.679 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.979 38.922 55.979 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.363 37.007 56.938 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.601 38.339 56.338 1.00 0.00 C ATOM 0 H ILE A 33 36.373 38.888 53.267 1.00 0.00 H new ATOM 0 HA ILE A 33 37.711 39.080 55.834 1.00 0.00 H new ATOM 0 HB ILE A 33 35.605 37.204 54.917 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.325 39.547 56.802 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.874 39.570 55.109 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.434 36.623 57.360 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.011 36.173 56.668 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.865 37.633 57.676 1.00 0.00 H new ATOM 0 HD11 ILE A 33 32.902 39.152 56.535 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.233 37.738 55.507 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.691 37.714 57.226 1.00 0.00 H new ATOM 531 N ARG A 34 39.639 37.330 55.138 1.00 0.00 N ATOM 532 CA ARG A 34 40.609 36.267 54.828 1.00 0.00 C ATOM 533 C ARG A 34 41.534 36.292 56.085 1.00 0.00 C ATOM 534 O ARG A 34 42.246 37.243 56.397 1.00 0.00 O ATOM 535 CB ARG A 34 41.269 36.457 53.457 1.00 0.00 C ATOM 536 CG ARG A 34 42.151 35.320 52.911 1.00 0.00 C ATOM 537 CD ARG A 34 42.626 35.611 51.469 1.00 0.00 C ATOM 538 NE ARG A 34 43.329 36.893 51.203 1.00 0.00 N ATOM 539 CZ ARG A 34 44.094 37.596 52.024 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.497 37.128 53.171 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.468 38.784 51.652 1.00 0.00 N ATOM 0 H ARG A 34 40.016 38.119 55.663 1.00 0.00 H new ATOM 0 HA ARG A 34 40.188 35.271 54.687 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.479 36.644 52.730 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.879 37.359 53.503 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.017 35.187 53.560 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.592 34.384 52.929 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.289 34.800 51.167 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.754 35.569 50.817 1.00 0.00 H new ATOM 0 HE ARG A 34 43.206 37.281 50.268 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.224 36.190 53.463 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.086 37.700 53.777 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.172 39.152 50.748 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.057 39.348 52.264 1.00 0.00 H new ATOM 555 N ARG A 35 41.422 35.157 56.884 1.00 0.00 N ATOM 556 CA ARG A 35 41.760 35.188 58.300 1.00 0.00 C ATOM 557 C ARG A 35 42.077 33.776 58.869 1.00 0.00 C ATOM 558 O ARG A 35 42.305 32.846 58.099 1.00 0.00 O ATOM 559 CB ARG A 35 40.588 35.897 59.025 1.00 0.00 C ATOM 560 CG ARG A 35 39.164 35.328 58.814 1.00 0.00 C ATOM 561 CD ARG A 35 38.818 33.939 59.368 1.00 0.00 C ATOM 562 NE ARG A 35 37.499 33.424 58.890 1.00 0.00 N ATOM 563 CZ ARG A 35 37.159 33.264 57.623 1.00 0.00 C ATOM 564 NH1 ARG A 35 38.053 33.153 56.681 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.894 33.239 57.325 1.00 0.00 N ATOM 0 H ARG A 35 41.104 34.249 56.545 1.00 0.00 H new ATOM 0 HA ARG A 35 42.684 35.743 58.463 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.799 35.886 60.094 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.582 36.941 58.712 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.460 36.038 59.248 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.975 35.308 57.741 1.00 0.00 H new ATOM 0 HD2 ARG A 35 39.600 33.236 59.082 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.811 33.981 60.457 1.00 0.00 H new ATOM 0 HE ARG A 35 36.807 33.177 59.597 1.00 0.00 H new ATOM 0 HH11 ARG A 35 39.046 33.189 56.913 1.00 0.00 H new ATOM 0 HH12 ARG A 35 37.760 33.030 55.712 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.195 33.341 58.060 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.601 33.117 56.356 1.00 0.00 H new ATOM 579 N GLY A 36 42.159 33.640 60.251 1.00 0.00 N ATOM 580 CA GLY A 36 42.555 32.303 60.701 1.00 0.00 C ATOM 581 C GLY A 36 42.782 32.085 62.207 1.00 0.00 C ATOM 582 O GLY A 36 42.356 32.867 63.047 1.00 0.00 O ATOM 0 H GLY A 36 41.978 34.350 60.961 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.789 31.600 60.374 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.476 32.035 60.182 1.00 0.00 H new ATOM 586 N CYS A 37 43.450 30.914 62.527 1.00 0.00 N ATOM 587 CA CYS A 37 43.688 30.526 63.923 1.00 0.00 C ATOM 588 C CYS A 37 44.998 31.191 64.481 1.00 0.00 C ATOM 589 O CYS A 37 46.089 31.058 63.931 1.00 0.00 O ATOM 590 CB CYS A 37 43.745 28.984 64.073 1.00 0.00 C ATOM 591 SG CYS A 37 45.095 28.160 63.169 1.00 0.00 S ATOM 0 H CYS A 37 43.814 30.257 61.837 1.00 0.00 H new ATOM 0 HA CYS A 37 42.848 30.890 64.515 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.839 28.742 65.132 1.00 0.00 H new ATOM 0 HB3 CYS A 37 42.796 28.568 63.734 1.00 0.00 H new ATOM 596 N GLY A 38 44.861 31.995 65.615 1.00 0.00 N ATOM 597 CA GLY A 38 46.068 32.552 66.226 1.00 0.00 C ATOM 598 C GLY A 38 45.641 33.131 67.599 1.00 0.00 C ATOM 599 O GLY A 38 45.430 32.407 68.568 1.00 0.00 O ATOM 0 H GLY A 38 43.980 32.237 66.068 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.830 31.783 66.350 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.499 33.329 65.595 1.00 0.00 H new ATOM 603 N CYS A 39 45.487 34.511 67.665 1.00 0.00 N ATOM 604 CA CYS A 39 44.991 35.122 68.894 1.00 0.00 C ATOM 605 C CYS A 39 46.070 35.231 70.021 1.00 0.00 C ATOM 606 O CYS A 39 47.271 35.206 69.759 1.00 0.00 O ATOM 607 CB CYS A 39 44.335 36.492 68.652 1.00 0.00 C ATOM 608 SG CYS A 39 43.074 36.951 69.902 1.00 0.00 S ATOM 0 H CYS A 39 45.696 35.160 66.907 1.00 0.00 H new ATOM 0 HA CYS A 39 44.224 34.433 69.249 1.00 0.00 H new ATOM 0 HB2 CYS A 39 45.111 37.257 68.637 1.00 0.00 H new ATOM 0 HB3 CYS A 39 43.870 36.491 67.666 1.00 0.00 H new ATOM 613 N PHE A 40 45.579 35.399 71.306 1.00 0.00 N ATOM 614 CA PHE A 40 46.439 35.532 72.489 1.00 0.00 C ATOM 615 C PHE A 40 47.449 36.689 72.139 1.00 0.00 C ATOM 616 O PHE A 40 48.659 36.537 72.296 1.00 0.00 O ATOM 617 CB PHE A 40 47.104 34.219 72.990 1.00 0.00 C ATOM 618 CG PHE A 40 46.197 33.009 72.812 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.074 32.781 73.617 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.438 32.112 71.762 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.222 31.705 73.376 1.00 0.00 C ATOM 622 CE2 PHE A 40 45.600 31.030 71.512 1.00 0.00 C ATOM 623 CZ PHE A 40 44.499 30.818 72.339 1.00 0.00 C ATOM 0 H PHE A 40 44.582 35.442 71.519 1.00 0.00 H new ATOM 0 HA PHE A 40 45.839 35.781 73.364 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.035 34.056 72.447 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.363 34.324 74.043 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.865 33.450 74.438 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.299 32.265 71.129 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.348 31.559 73.993 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.800 30.363 70.687 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.859 29.964 72.175 1.00 0.00 H new ATOM 735 N GLY A 48 44.771 44.149 67.539 1.00 0.00 N ATOM 736 CA GLY A 48 44.579 43.054 66.583 1.00 0.00 C ATOM 737 C GLY A 48 43.197 43.057 65.871 1.00 0.00 C ATOM 738 O GLY A 48 42.343 43.897 66.138 1.00 0.00 O ATOM 0 HA2 GLY A 48 45.363 43.106 65.828 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.702 42.106 67.106 1.00 0.00 H new ATOM 742 N PRO A 49 43.007 42.020 64.959 1.00 0.00 N ATOM 743 CA PRO A 49 41.673 41.647 64.444 1.00 0.00 C ATOM 744 C PRO A 49 40.653 41.395 65.584 1.00 0.00 C ATOM 745 O PRO A 49 41.024 41.282 66.753 1.00 0.00 O ATOM 746 CB PRO A 49 41.914 40.253 63.849 1.00 0.00 C ATOM 747 CG PRO A 49 43.313 40.398 63.277 1.00 0.00 C ATOM 748 CD PRO A 49 44.026 41.113 64.424 1.00 0.00 C ATOM 0 HA PRO A 49 41.291 42.425 63.783 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.861 39.470 64.606 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.182 40.004 63.081 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.766 39.434 63.047 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.324 40.982 62.357 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.372 40.409 65.181 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.902 41.658 64.072 1.00 0.00 H new ATOM 756 N TYR A 50 39.331 41.229 65.190 1.00 0.00 N ATOM 757 CA TYR A 50 38.368 40.908 66.265 1.00 0.00 C ATOM 758 C TYR A 50 38.511 39.362 66.513 1.00 0.00 C ATOM 759 O TYR A 50 38.426 38.535 65.605 1.00 0.00 O ATOM 760 CB TYR A 50 36.865 41.364 66.206 1.00 0.00 C ATOM 761 CG TYR A 50 35.970 40.616 65.251 1.00 0.00 C ATOM 762 CD1 TYR A 50 35.797 41.036 63.935 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.217 39.526 65.686 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.900 40.404 63.089 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.320 38.874 64.855 1.00 0.00 C ATOM 766 CZ TYR A 50 34.135 39.310 63.540 1.00 0.00 C ATOM 767 OH TYR A 50 33.267 38.714 62.676 1.00 0.00 O ATOM 0 H TYR A 50 38.961 41.306 64.243 1.00 0.00 H new ATOM 0 HA TYR A 50 38.659 41.556 67.091 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.443 41.277 67.207 1.00 0.00 H new ATOM 0 HB3 TYR A 50 36.840 42.421 65.940 1.00 0.00 H new ATOM 0 HD1 TYR A 50 36.374 41.871 63.566 1.00 0.00 H new ATOM 0 HD2 TYR A 50 35.337 39.179 66.702 1.00 0.00 H new ATOM 0 HE1 TYR A 50 34.786 40.753 62.073 1.00 0.00 H new ATOM 0 HE2 TYR A 50 33.762 38.026 65.225 1.00 0.00 H new ATOM 0 HH TYR A 50 32.811 37.974 63.129 1.00 0.00 H new ATOM 777 N CYS A 51 38.749 38.974 67.825 1.00 0.00 N ATOM 778 CA CYS A 51 39.189 37.608 68.177 1.00 0.00 C ATOM 779 C CYS A 51 38.146 36.908 69.117 1.00 0.00 C ATOM 780 O CYS A 51 37.679 37.461 70.111 1.00 0.00 O ATOM 781 CB CYS A 51 40.576 37.704 68.828 1.00 0.00 C ATOM 782 SG CYS A 51 41.319 36.101 69.243 1.00 0.00 S ATOM 0 H CYS A 51 38.639 39.595 68.626 1.00 0.00 H new ATOM 0 HA CYS A 51 39.256 36.991 67.281 1.00 0.00 H new ATOM 0 HB2 CYS A 51 41.245 38.237 68.153 1.00 0.00 H new ATOM 0 HB3 CYS A 51 40.497 38.301 69.737 1.00 0.00 H new ATOM 787 N CYS A 52 37.793 35.614 68.769 1.00 0.00 N ATOM 788 CA CYS A 52 36.804 34.796 69.492 1.00 0.00 C ATOM 789 C CYS A 52 37.422 33.471 70.045 1.00 0.00 C ATOM 790 O CYS A 52 38.436 33.002 69.536 1.00 0.00 O ATOM 791 CB CYS A 52 35.684 34.396 68.545 1.00 0.00 C ATOM 792 SG CYS A 52 34.176 33.787 69.367 1.00 0.00 S ATOM 0 H CYS A 52 38.204 35.130 67.970 1.00 0.00 H new ATOM 0 HA CYS A 52 36.443 35.403 70.322 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.423 35.256 67.928 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.054 33.622 67.873 1.00 0.00 H new ATOM 797 N GLU A 53 36.735 32.824 71.058 1.00 0.00 N ATOM 798 CA GLU A 53 37.252 31.566 71.635 1.00 0.00 C ATOM 799 C GLU A 53 36.136 30.477 71.658 1.00 0.00 C ATOM 800 O GLU A 53 35.927 29.781 72.651 1.00 0.00 O ATOM 801 CB GLU A 53 37.997 31.786 72.964 1.00 0.00 C ATOM 802 CG GLU A 53 37.160 32.254 74.173 1.00 0.00 C ATOM 803 CD GLU A 53 38.114 32.618 75.305 1.00 0.00 C ATOM 804 OE1 GLU A 53 38.727 31.830 75.995 1.00 0.00 O ATOM 805 OE2 GLU A 53 38.204 33.939 75.458 1.00 0.00 O ATOM 0 H GLU A 53 35.859 33.154 71.463 1.00 0.00 H new ATOM 0 HA GLU A 53 38.030 31.170 70.983 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.488 30.851 73.235 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.783 32.521 72.793 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.548 33.114 73.901 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.478 31.465 74.490 1.00 0.00 H new ATOM 813 N SER A 54 35.475 30.276 70.459 1.00 0.00 N ATOM 814 CA SER A 54 34.473 29.229 70.302 1.00 0.00 C ATOM 815 C SER A 54 34.500 28.680 68.833 1.00 0.00 C ATOM 816 O SER A 54 35.392 28.979 68.040 1.00 0.00 O ATOM 817 CB SER A 54 33.041 29.616 70.784 1.00 0.00 C ATOM 818 OG SER A 54 32.166 28.513 71.013 1.00 0.00 O ATOM 0 H SER A 54 35.637 30.832 69.620 1.00 0.00 H new ATOM 0 HA SER A 54 34.752 28.424 70.981 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.127 30.191 71.706 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.588 30.272 70.041 1.00 0.00 H new ATOM 0 HG SER A 54 31.294 28.844 71.313 1.00 0.00 H new ATOM 824 N ASP A 55 33.508 27.768 68.538 1.00 0.00 N ATOM 825 CA ASP A 55 33.446 27.049 67.262 1.00 0.00 C ATOM 826 C ASP A 55 32.996 28.099 66.156 1.00 0.00 C ATOM 827 O ASP A 55 31.864 28.581 66.163 1.00 0.00 O ATOM 828 CB ASP A 55 32.446 25.881 67.418 1.00 0.00 C ATOM 829 CG ASP A 55 32.449 24.894 66.232 1.00 0.00 C ATOM 830 OD1 ASP A 55 33.565 24.590 65.787 1.00 0.00 O ATOM 831 OD2 ASP A 55 31.347 24.503 65.838 1.00 0.00 O ATOM 0 H ASP A 55 32.753 27.532 69.182 1.00 0.00 H new ATOM 0 HA ASP A 55 34.404 26.623 66.964 1.00 0.00 H new ATOM 0 HB2 ASP A 55 32.679 25.336 68.333 1.00 0.00 H new ATOM 0 HB3 ASP A 55 31.442 26.288 67.537 1.00 0.00 H new ATOM 836 N LYS A 56 33.925 28.484 65.182 1.00 0.00 N ATOM 837 CA LYS A 56 33.660 29.372 64.047 1.00 0.00 C ATOM 838 C LYS A 56 33.591 30.864 64.508 1.00 0.00 C ATOM 839 O LYS A 56 34.477 31.644 64.169 1.00 0.00 O ATOM 840 CB LYS A 56 32.499 29.021 63.093 1.00 0.00 C ATOM 841 CG LYS A 56 32.639 27.640 62.417 1.00 0.00 C ATOM 842 CD LYS A 56 32.347 26.432 63.318 1.00 0.00 C ATOM 843 CE LYS A 56 32.333 25.079 62.600 1.00 0.00 C ATOM 844 NZ LYS A 56 32.319 23.976 63.671 1.00 0.00 N ATOM 0 H LYS A 56 34.890 28.156 65.201 1.00 0.00 H new ATOM 0 HA LYS A 56 34.528 29.201 63.411 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.563 29.048 63.651 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.432 29.787 62.321 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.966 27.604 61.561 1.00 0.00 H new ATOM 0 HG3 LYS A 56 33.653 27.546 62.029 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.095 26.399 64.110 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.380 26.581 63.799 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.457 24.997 61.957 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.209 24.978 61.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.258 23.046 63.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.192 24.027 64.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.497 24.108 64.295 1.00 0.00 H new ATOM 858 N CYS A 57 32.482 31.263 65.225 1.00 0.00 N ATOM 859 CA CYS A 57 32.224 32.618 65.703 1.00 0.00 C ATOM 860 C CYS A 57 32.009 33.535 64.446 1.00 0.00 C ATOM 861 O CYS A 57 32.756 34.490 64.242 1.00 0.00 O ATOM 862 CB CYS A 57 33.246 33.238 66.676 1.00 0.00 C ATOM 863 SG CYS A 57 33.629 32.230 68.134 1.00 0.00 S ATOM 0 H CYS A 57 31.740 30.611 65.478 1.00 0.00 H new ATOM 0 HA CYS A 57 31.336 32.545 66.330 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.171 33.430 66.133 1.00 0.00 H new ATOM 0 HB3 CYS A 57 32.867 34.204 67.010 1.00 0.00 H new ATOM 868 N ASN A 58 30.924 33.252 63.627 1.00 0.00 N ATOM 869 CA ASN A 58 30.541 34.083 62.471 1.00 0.00 C ATOM 870 C ASN A 58 31.740 34.014 61.478 1.00 0.00 C ATOM 871 O ASN A 58 32.576 34.914 61.400 1.00 0.00 O ATOM 872 CB ASN A 58 30.114 35.526 62.793 1.00 0.00 C ATOM 873 CG ASN A 58 29.543 36.185 61.539 1.00 0.00 C ATOM 874 OD1 ASN A 58 28.397 36.012 61.169 1.00 0.00 O ATOM 875 ND2 ASN A 58 30.403 36.980 60.863 1.00 0.00 N ATOM 0 H ASN A 58 30.315 32.446 63.770 1.00 0.00 H new ATOM 0 HA ASN A 58 29.625 33.681 62.037 1.00 0.00 H new ATOM 0 HB2 ASN A 58 29.368 35.526 63.588 1.00 0.00 H new ATOM 0 HB3 ASN A 58 30.969 36.096 63.158 1.00 0.00 H new ATOM 0 HD21 ASN A 58 30.097 37.457 60.015 1.00 0.00 H new ATOM 0 HD22 ASN A 58 31.357 37.103 61.201 1.00 0.00 H new ATOM 882 N LEU A 59 31.789 32.864 60.713 1.00 0.00 N ATOM 883 CA LEU A 59 32.784 32.590 59.669 1.00 0.00 C ATOM 884 C LEU A 59 34.236 32.658 60.326 1.00 0.00 C ATOM 885 O LEU A 59 34.960 33.616 60.032 1.00 0.00 O ATOM 886 CB LEU A 59 32.654 33.521 58.444 1.00 0.00 C ATOM 887 CG LEU A 59 31.333 33.667 57.654 1.00 0.00 C ATOM 888 CD1 LEU A 59 31.565 34.591 56.446 1.00 0.00 C ATOM 889 CD2 LEU A 59 30.802 32.307 57.177 1.00 0.00 C ATOM 890 OXT LEU A 59 34.504 31.759 61.132 1.00 0.00 O ATOM 0 H LEU A 59 31.116 32.106 60.827 1.00 0.00 H new ATOM 0 HA LEU A 59 32.606 31.590 59.273 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.930 34.521 58.780 1.00 0.00 H new ATOM 0 HB3 LEU A 59 33.413 33.205 57.729 1.00 0.00 H new ATOM 0 HG LEU A 59 30.584 34.098 58.318 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.636 34.697 55.885 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.892 35.570 56.795 1.00 0.00 H new ATOM 0 HD13 LEU A 59 32.331 34.161 55.801 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.873 32.452 56.626 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.539 31.836 56.527 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.616 31.666 58.039 1.00 0.00 H new