USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 7 THR OG1 : rot -165:sc= 1.06 USER MOD Set 1.2: A 9 THR OG1 : rot -46:sc= 1.2 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= -0.0751 (180deg=-0.611) USER MOD Single : A 12 THR OG1 : rot 150:sc= -1.32 USER MOD Single : A 14 THR OG1 : rot -78:sc= 1.93 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 25 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.013) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 0.402 (180deg=-1.54!) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.212) USER MOD Single : A 31 GLN : amide:sc= -0.544 K(o=-0.54,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -3.25 K(o=-3.2,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.621 (180deg=-1.11) USER MOD Single : A 49 GLN : amide:sc= -10.6! C(o=-11!,f=-11!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.817 USER MOD Single : A 57 SER OG : rot 180:sc= -0.267 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -5.52! C(o=-5.5!,f=-6.1!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= -0.582 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.377 K(o=-0.38,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 75.328 -12.714 2.578 1.00 0.00 N ATOM 38 CA ILE A 3 74.375 -12.458 1.500 1.00 0.00 C ATOM 39 C ILE A 3 74.987 -11.485 0.497 1.00 0.00 C ATOM 40 O ILE A 3 76.062 -10.936 0.739 1.00 0.00 O ATOM 41 CB ILE A 3 73.090 -11.842 2.066 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.436 -10.666 2.982 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.319 -12.891 2.866 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.205 -9.774 3.137 1.00 0.00 C ATOM 0 HA ILE A 3 74.140 -13.402 1.009 1.00 0.00 H new ATOM 0 HB ILE A 3 72.475 -11.490 1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.761 -11.031 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.264 -10.094 2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.407 -12.446 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 3 72.061 -13.727 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.938 -13.249 3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.444 -8.934 3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 3 71.901 -9.400 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.390 -10.351 3.574 1.00 0.00 H new ATOM 56 N PHE A 4 74.310 -11.291 -0.630 1.00 0.00 N ATOM 57 CA PHE A 4 74.816 -10.398 -1.670 1.00 0.00 C ATOM 58 C PHE A 4 73.865 -9.229 -1.910 1.00 0.00 C ATOM 59 O PHE A 4 72.652 -9.406 -1.975 1.00 0.00 O ATOM 60 CB PHE A 4 74.989 -11.185 -2.970 1.00 0.00 C ATOM 61 CG PHE A 4 76.030 -12.264 -2.765 1.00 0.00 C ATOM 62 CD1 PHE A 4 75.648 -13.611 -2.766 1.00 0.00 C ATOM 63 CD2 PHE A 4 77.371 -11.916 -2.569 1.00 0.00 C ATOM 64 CE1 PHE A 4 76.609 -14.609 -2.570 1.00 0.00 C ATOM 65 CE2 PHE A 4 78.332 -12.915 -2.371 1.00 0.00 C ATOM 66 CZ PHE A 4 77.951 -14.263 -2.372 1.00 0.00 C ATOM 0 H PHE A 4 73.418 -11.735 -0.847 1.00 0.00 H new ATOM 0 HA PHE A 4 75.774 -9.996 -1.340 1.00 0.00 H new ATOM 0 HB2 PHE A 4 74.040 -11.631 -3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.294 -10.517 -3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 4 74.613 -13.879 -2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 4 77.665 -10.877 -2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 4 76.315 -15.648 -2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 4 79.367 -12.646 -2.218 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.692 -15.034 -2.220 1.00 0.00 H new ATOM 76 N VAL A 5 74.435 -8.036 -2.055 1.00 0.00 N ATOM 77 CA VAL A 5 73.642 -6.837 -2.311 1.00 0.00 C ATOM 78 C VAL A 5 74.145 -6.147 -3.573 1.00 0.00 C ATOM 79 O VAL A 5 75.273 -5.664 -3.613 1.00 0.00 O ATOM 80 CB VAL A 5 73.738 -5.876 -1.123 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.944 -4.605 -1.431 1.00 0.00 C ATOM 82 CG2 VAL A 5 73.158 -6.549 0.124 1.00 0.00 C ATOM 0 H VAL A 5 75.440 -7.874 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 5 72.600 -7.126 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 5 74.782 -5.619 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 5 73.012 -3.920 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.354 -4.126 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.899 -4.862 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.226 -5.866 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 5 72.113 -6.805 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.722 -7.456 0.343 1.00 0.00 H new ATOM 92 N LYS A 6 73.312 -6.115 -4.608 1.00 0.00 N ATOM 93 CA LYS A 6 73.702 -5.489 -5.868 1.00 0.00 C ATOM 94 C LYS A 6 73.057 -4.115 -6.025 1.00 0.00 C ATOM 95 O LYS A 6 71.876 -3.933 -5.730 1.00 0.00 O ATOM 96 CB LYS A 6 73.292 -6.383 -7.038 1.00 0.00 C ATOM 97 CG LYS A 6 74.504 -7.189 -7.510 1.00 0.00 C ATOM 98 CD LYS A 6 74.028 -8.370 -8.352 1.00 0.00 C ATOM 99 CE LYS A 6 75.235 -9.130 -8.906 1.00 0.00 C ATOM 100 NZ LYS A 6 74.799 -9.995 -10.038 1.00 0.00 N ATOM 0 H LYS A 6 72.372 -6.511 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 6 74.784 -5.361 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 6 72.490 -7.056 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 6 72.904 -5.776 -7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 6 75.171 -6.556 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 6 75.074 -7.546 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 6 73.414 -9.036 -7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 6 73.402 -8.016 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 6 75.997 -8.428 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 6 75.687 -9.738 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 75.619 -10.512 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 74.086 -10.674 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 74.387 -9.404 -10.788 1.00 0.00 H new ATOM 114 N THR A 7 73.849 -3.156 -6.496 1.00 0.00 N ATOM 115 CA THR A 7 73.359 -1.797 -6.700 1.00 0.00 C ATOM 116 C THR A 7 73.197 -1.511 -8.189 1.00 0.00 C ATOM 117 O THR A 7 73.491 -2.361 -9.029 1.00 0.00 O ATOM 118 CB THR A 7 74.342 -0.794 -6.091 1.00 0.00 C ATOM 119 OG1 THR A 7 75.559 -0.825 -6.824 1.00 0.00 O ATOM 120 CG2 THR A 7 74.615 -1.162 -4.632 1.00 0.00 C ATOM 0 H THR A 7 74.829 -3.294 -6.743 1.00 0.00 H new ATOM 0 HA THR A 7 72.389 -1.698 -6.212 1.00 0.00 H new ATOM 0 HB THR A 7 73.913 0.207 -6.135 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.262 -0.375 -6.311 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.315 -0.446 -4.201 1.00 0.00 H new ATOM 0 HG22 THR A 7 73.681 -1.139 -4.070 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.044 -2.163 -4.583 1.00 0.00 H new ATOM 128 N LEU A 8 72.732 -0.308 -8.511 1.00 0.00 N ATOM 129 CA LEU A 8 72.540 0.077 -9.907 1.00 0.00 C ATOM 130 C LEU A 8 73.885 0.215 -10.611 1.00 0.00 C ATOM 131 O LEU A 8 73.944 0.394 -11.827 1.00 0.00 O ATOM 132 CB LEU A 8 71.782 1.403 -9.985 1.00 0.00 C ATOM 133 CG LEU A 8 70.384 1.229 -9.392 1.00 0.00 C ATOM 134 CD1 LEU A 8 70.048 2.433 -8.510 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.360 1.127 -10.525 1.00 0.00 C ATOM 0 H LEU A 8 72.483 0.412 -7.832 1.00 0.00 H new ATOM 0 HA LEU A 8 71.959 -0.701 -10.403 1.00 0.00 H new ATOM 0 HB2 LEU A 8 72.325 2.177 -9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 8 71.710 1.732 -11.022 1.00 0.00 H new ATOM 0 HG LEU A 8 70.356 0.320 -8.791 1.00 0.00 H new ATOM 0 HD11 LEU A 8 69.051 2.308 -8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.777 2.508 -7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.076 3.343 -9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 8 68.362 1.003 -10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.390 2.036 -11.125 1.00 0.00 H new ATOM 0 HD23 LEU A 8 69.598 0.269 -11.154 1.00 0.00 H new ATOM 147 N THR A 9 74.962 0.133 -9.839 1.00 0.00 N ATOM 148 CA THR A 9 76.303 0.251 -10.399 1.00 0.00 C ATOM 149 C THR A 9 76.856 -1.125 -10.755 1.00 0.00 C ATOM 150 O THR A 9 77.934 -1.241 -11.339 1.00 0.00 O ATOM 151 CB THR A 9 77.232 0.933 -9.391 1.00 0.00 C ATOM 152 OG1 THR A 9 77.572 0.012 -8.364 1.00 0.00 O ATOM 153 CG2 THR A 9 76.522 2.142 -8.780 1.00 0.00 C ATOM 0 H THR A 9 74.934 -0.014 -8.830 1.00 0.00 H new ATOM 0 HA THR A 9 76.247 0.854 -11.306 1.00 0.00 H new ATOM 0 HB THR A 9 78.139 1.264 -9.897 1.00 0.00 H new ATOM 0 HG1 THR A 9 76.765 -0.456 -8.064 1.00 0.00 H new ATOM 0 HG21 THR A 9 77.183 2.628 -8.062 1.00 0.00 H new ATOM 0 HG22 THR A 9 76.261 2.848 -9.569 1.00 0.00 H new ATOM 0 HG23 THR A 9 75.615 1.813 -8.273 1.00 0.00 H new ATOM 161 N GLY A 10 76.110 -2.167 -10.400 1.00 0.00 N ATOM 162 CA GLY A 10 76.534 -3.533 -10.688 1.00 0.00 C ATOM 163 C GLY A 10 77.453 -4.061 -9.592 1.00 0.00 C ATOM 164 O GLY A 10 77.853 -5.225 -9.612 1.00 0.00 O ATOM 0 H GLY A 10 75.215 -2.093 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.660 -4.178 -10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.051 -3.563 -11.647 1.00 0.00 H new ATOM 168 N LYS A 11 77.785 -3.199 -8.637 1.00 0.00 N ATOM 169 CA LYS A 11 78.659 -3.590 -7.538 1.00 0.00 C ATOM 170 C LYS A 11 77.915 -4.490 -6.555 1.00 0.00 C ATOM 171 O LYS A 11 76.849 -4.129 -6.055 1.00 0.00 O ATOM 172 CB LYS A 11 79.169 -2.347 -6.808 1.00 0.00 C ATOM 173 CG LYS A 11 80.482 -2.676 -6.094 1.00 0.00 C ATOM 174 CD LYS A 11 80.826 -1.553 -5.114 1.00 0.00 C ATOM 175 CE LYS A 11 82.095 -1.918 -4.342 1.00 0.00 C ATOM 176 NZ LYS A 11 81.831 -3.115 -3.493 1.00 0.00 N ATOM 0 H LYS A 11 77.464 -2.231 -8.602 1.00 0.00 H new ATOM 0 HA LYS A 11 79.504 -4.141 -7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.322 -1.533 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.426 -2.006 -6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.391 -3.623 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.284 -2.796 -6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 11 80.973 -0.618 -5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 11 79.999 -1.395 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 11 82.910 -2.123 -5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.410 -1.080 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 82.510 -3.139 -2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 80.864 -3.066 -3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 81.935 -3.977 -4.066 1.00 0.00 H new ATOM 190 N THR A 12 78.484 -5.659 -6.283 1.00 0.00 N ATOM 191 CA THR A 12 77.866 -6.602 -5.358 1.00 0.00 C ATOM 192 C THR A 12 78.579 -6.574 -4.008 1.00 0.00 C ATOM 193 O THR A 12 79.740 -6.973 -3.903 1.00 0.00 O ATOM 194 CB THR A 12 77.927 -8.017 -5.939 1.00 0.00 C ATOM 195 OG1 THR A 12 77.295 -8.032 -7.212 1.00 0.00 O ATOM 196 CG2 THR A 12 77.209 -8.989 -5.000 1.00 0.00 C ATOM 0 H THR A 12 79.366 -5.975 -6.686 1.00 0.00 H new ATOM 0 HA THR A 12 76.825 -6.312 -5.213 1.00 0.00 H new ATOM 0 HB THR A 12 78.968 -8.321 -6.045 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.713 -8.715 -7.777 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.253 -9.996 -5.415 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.694 -8.977 -4.024 1.00 0.00 H new ATOM 0 HG23 THR A 12 76.167 -8.687 -4.891 1.00 0.00 H new ATOM 204 N ILE A 13 77.880 -6.106 -2.976 1.00 0.00 N ATOM 205 CA ILE A 13 78.469 -6.041 -1.641 1.00 0.00 C ATOM 206 C ILE A 13 78.108 -7.284 -0.836 1.00 0.00 C ATOM 207 O ILE A 13 76.933 -7.610 -0.673 1.00 0.00 O ATOM 208 CB ILE A 13 77.971 -4.801 -0.891 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.366 -3.802 -1.880 1.00 0.00 C ATOM 210 CG2 ILE A 13 79.141 -4.145 -0.152 1.00 0.00 C ATOM 211 CD1 ILE A 13 77.127 -2.465 -1.177 1.00 0.00 C ATOM 0 H ILE A 13 76.919 -5.771 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 13 79.551 -5.984 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 13 77.208 -5.100 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 13 78.036 -3.664 -2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.427 -4.189 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.786 -3.263 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.565 -4.853 0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.906 -3.851 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.696 -1.755 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.440 -2.610 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 13 78.074 -2.076 -0.803 1.00 0.00 H new ATOM 223 N THR A 14 79.127 -7.965 -0.322 1.00 0.00 N ATOM 224 CA THR A 14 78.902 -9.161 0.479 1.00 0.00 C ATOM 225 C THR A 14 79.047 -8.825 1.959 1.00 0.00 C ATOM 226 O THR A 14 80.037 -8.221 2.371 1.00 0.00 O ATOM 227 CB THR A 14 79.912 -10.246 0.094 1.00 0.00 C ATOM 228 OG1 THR A 14 79.803 -10.520 -1.295 1.00 0.00 O ATOM 229 CG2 THR A 14 79.624 -11.518 0.891 1.00 0.00 C ATOM 0 H THR A 14 80.107 -7.712 -0.444 1.00 0.00 H new ATOM 0 HA THR A 14 77.894 -9.530 0.291 1.00 0.00 H new ATOM 0 HB THR A 14 80.921 -9.900 0.318 1.00 0.00 H new ATOM 0 HG1 THR A 14 79.023 -11.092 -1.455 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.343 -12.290 0.617 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.708 -11.306 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.615 -11.866 0.669 1.00 0.00 H new ATOM 237 N LEU A 15 78.054 -9.210 2.754 1.00 0.00 N ATOM 238 CA LEU A 15 78.086 -8.928 4.185 1.00 0.00 C ATOM 239 C LEU A 15 77.550 -10.110 4.983 1.00 0.00 C ATOM 240 O LEU A 15 76.817 -10.946 4.457 1.00 0.00 O ATOM 241 CB LEU A 15 77.232 -7.691 4.520 1.00 0.00 C ATOM 242 CG LEU A 15 77.161 -6.720 3.330 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.126 -5.635 3.635 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.528 -6.066 3.114 1.00 0.00 C ATOM 0 H LEU A 15 77.225 -9.713 2.436 1.00 0.00 H new ATOM 0 HA LEU A 15 79.126 -8.742 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.225 -8.006 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.654 -7.179 5.385 1.00 0.00 H new ATOM 0 HG LEU A 15 76.877 -7.266 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 15 76.068 -4.941 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.151 -6.096 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.420 -5.094 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.473 -5.379 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.814 -5.517 4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.271 -6.836 2.907 1.00 0.00 H new ATOM 256 N GLU A 16 77.899 -10.151 6.265 1.00 0.00 N ATOM 257 CA GLU A 16 77.426 -11.212 7.145 1.00 0.00 C ATOM 258 C GLU A 16 76.187 -10.723 7.881 1.00 0.00 C ATOM 259 O GLU A 16 76.204 -9.649 8.482 1.00 0.00 O ATOM 260 CB GLU A 16 78.515 -11.589 8.153 1.00 0.00 C ATOM 261 CG GLU A 16 77.984 -12.666 9.101 1.00 0.00 C ATOM 262 CD GLU A 16 79.126 -13.228 9.939 1.00 0.00 C ATOM 263 OE1 GLU A 16 79.594 -14.310 9.619 1.00 0.00 O ATOM 264 OE2 GLU A 16 79.517 -12.571 10.889 1.00 0.00 O ATOM 0 H GLU A 16 78.505 -9.465 6.715 1.00 0.00 H new ATOM 0 HA GLU A 16 77.182 -12.095 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 16 79.399 -11.954 7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.821 -10.710 8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 16 77.217 -12.245 9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 16 77.513 -13.466 8.530 1.00 0.00 H new ATOM 271 N VAL A 17 75.101 -11.487 7.804 1.00 0.00 N ATOM 272 CA VAL A 17 73.857 -11.074 8.444 1.00 0.00 C ATOM 273 C VAL A 17 73.152 -12.235 9.143 1.00 0.00 C ATOM 274 O VAL A 17 73.452 -13.404 8.899 1.00 0.00 O ATOM 275 CB VAL A 17 72.937 -10.473 7.385 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.668 -9.349 6.649 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.530 -11.558 6.384 1.00 0.00 C ATOM 0 H VAL A 17 75.056 -12.380 7.314 1.00 0.00 H new ATOM 0 HA VAL A 17 74.097 -10.337 9.210 1.00 0.00 H new ATOM 0 HB VAL A 17 72.046 -10.071 7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 17 73.010 -8.921 5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 17 73.955 -8.575 7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.561 -9.749 6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.873 -11.128 5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 17 73.421 -11.962 5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 17 72.006 -12.358 6.907 1.00 0.00 H new ATOM 287 N GLU A 18 72.203 -11.888 10.016 1.00 0.00 N ATOM 288 CA GLU A 18 71.437 -12.884 10.763 1.00 0.00 C ATOM 289 C GLU A 18 69.934 -12.628 10.583 1.00 0.00 C ATOM 290 O GLU A 18 69.551 -11.687 9.903 1.00 0.00 O ATOM 291 CB GLU A 18 71.808 -12.798 12.247 1.00 0.00 C ATOM 292 CG GLU A 18 73.219 -12.225 12.385 1.00 0.00 C ATOM 293 CD GLU A 18 73.750 -12.481 13.792 1.00 0.00 C ATOM 294 OE1 GLU A 18 74.491 -13.436 13.958 1.00 0.00 O ATOM 295 OE2 GLU A 18 73.408 -11.719 14.681 1.00 0.00 O ATOM 0 H GLU A 18 71.948 -10.922 10.222 1.00 0.00 H new ATOM 0 HA GLU A 18 71.671 -13.880 10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 18 71.094 -12.167 12.776 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.759 -13.787 12.703 1.00 0.00 H new ATOM 0 HG2 GLU A 18 73.880 -12.683 11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.207 -11.154 12.181 1.00 0.00 H new ATOM 302 N PRO A 19 69.071 -13.428 11.164 1.00 0.00 N ATOM 303 CA PRO A 19 67.595 -13.232 11.028 1.00 0.00 C ATOM 304 C PRO A 19 67.084 -12.012 11.806 1.00 0.00 C ATOM 305 O PRO A 19 65.877 -11.791 11.884 1.00 0.00 O ATOM 306 CB PRO A 19 66.981 -14.522 11.591 1.00 0.00 C ATOM 307 CG PRO A 19 68.119 -15.449 11.887 1.00 0.00 C ATOM 308 CD PRO A 19 69.379 -14.595 11.998 1.00 0.00 C ATOM 0 HA PRO A 19 67.321 -13.042 9.990 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.406 -14.315 12.494 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.295 -14.969 10.872 1.00 0.00 H new ATOM 0 HG2 PRO A 19 67.940 -15.994 12.814 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.226 -16.192 11.096 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.582 -14.309 13.030 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.259 -15.127 11.636 1.00 0.00 H new ATOM 316 N SER A 20 68.004 -11.223 12.371 1.00 0.00 N ATOM 317 CA SER A 20 67.620 -10.021 13.129 1.00 0.00 C ATOM 318 C SER A 20 68.196 -8.783 12.443 1.00 0.00 C ATOM 319 O SER A 20 68.120 -7.660 12.942 1.00 0.00 O ATOM 320 CB SER A 20 68.135 -10.111 14.566 1.00 0.00 C ATOM 321 OG SER A 20 69.511 -10.468 14.551 1.00 0.00 O ATOM 0 H SER A 20 69.009 -11.389 12.321 1.00 0.00 H new ATOM 0 HA SER A 20 66.533 -9.948 13.156 1.00 0.00 H new ATOM 0 HB2 SER A 20 68.001 -9.155 15.073 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.562 -10.851 15.124 1.00 0.00 H new ATOM 0 HG SER A 20 69.844 -10.525 15.471 1.00 0.00 H new ATOM 327 N ASP A 21 68.743 -9.044 11.276 1.00 0.00 N ATOM 328 CA ASP A 21 69.344 -8.050 10.394 1.00 0.00 C ATOM 329 C ASP A 21 68.263 -7.347 9.614 1.00 0.00 C ATOM 330 O ASP A 21 68.286 -7.310 8.382 1.00 0.00 O ATOM 331 CB ASP A 21 70.341 -8.675 9.448 1.00 0.00 C ATOM 332 CG ASP A 21 71.673 -8.892 10.156 1.00 0.00 C ATOM 333 OD1 ASP A 21 71.677 -9.542 11.188 1.00 0.00 O ATOM 334 OD2 ASP A 21 72.669 -8.384 9.667 1.00 0.00 O ATOM 0 H ASP A 21 68.786 -9.989 10.895 1.00 0.00 H new ATOM 0 HA ASP A 21 69.881 -7.330 11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.957 -9.626 9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.483 -8.031 8.580 1.00 0.00 H new ATOM 339 N THR A 22 67.251 -6.913 10.319 1.00 0.00 N ATOM 340 CA THR A 22 66.086 -6.357 9.658 1.00 0.00 C ATOM 341 C THR A 22 66.441 -5.094 8.906 1.00 0.00 C ATOM 342 O THR A 22 67.340 -4.348 9.276 1.00 0.00 O ATOM 343 CB THR A 22 65.047 -5.964 10.709 1.00 0.00 C ATOM 344 OG1 THR A 22 65.110 -4.561 10.922 1.00 0.00 O ATOM 345 CG2 THR A 22 65.347 -6.687 12.015 1.00 0.00 C ATOM 0 H THR A 22 67.203 -6.930 11.338 1.00 0.00 H new ATOM 0 HA THR A 22 65.704 -7.112 8.970 1.00 0.00 H new ATOM 0 HB THR A 22 64.051 -6.241 10.363 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.445 -4.302 11.594 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.607 -6.407 12.764 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.309 -7.764 11.852 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.341 -6.408 12.365 1.00 0.00 H new ATOM 353 N ILE A 23 65.734 -4.930 7.795 1.00 0.00 N ATOM 354 CA ILE A 23 65.934 -3.821 6.878 1.00 0.00 C ATOM 355 C ILE A 23 66.411 -2.568 7.606 1.00 0.00 C ATOM 356 O ILE A 23 67.157 -1.766 7.045 1.00 0.00 O ATOM 357 CB ILE A 23 64.629 -3.558 6.122 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.430 -4.637 5.043 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.697 -2.190 5.444 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.341 -6.036 5.676 1.00 0.00 C ATOM 0 H ILE A 23 64.997 -5.573 7.504 1.00 0.00 H new ATOM 0 HA ILE A 23 66.717 -4.087 6.168 1.00 0.00 H new ATOM 0 HB ILE A 23 63.798 -3.582 6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.520 -4.430 4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.258 -4.606 4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.767 -2.004 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.841 -1.417 6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.532 -2.172 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.200 -6.781 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 23 65.262 -6.249 6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.497 -6.070 6.365 1.00 0.00 H new ATOM 372 N GLU A 24 66.005 -2.415 8.860 1.00 0.00 N ATOM 373 CA GLU A 24 66.433 -1.265 9.646 1.00 0.00 C ATOM 374 C GLU A 24 67.921 -1.388 9.973 1.00 0.00 C ATOM 375 O GLU A 24 68.692 -0.451 9.770 1.00 0.00 O ATOM 376 CB GLU A 24 65.618 -1.183 10.939 1.00 0.00 C ATOM 377 CG GLU A 24 66.138 -0.030 11.800 1.00 0.00 C ATOM 378 CD GLU A 24 67.070 -0.567 12.881 1.00 0.00 C ATOM 379 OE1 GLU A 24 67.719 -1.569 12.631 1.00 0.00 O ATOM 380 OE2 GLU A 24 67.121 0.031 13.943 1.00 0.00 O ATOM 0 H GLU A 24 65.388 -3.063 9.350 1.00 0.00 H new ATOM 0 HA GLU A 24 66.269 -0.356 9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.564 -1.031 10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.692 -2.122 11.488 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.667 0.691 11.177 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.302 0.499 12.258 1.00 0.00 H new ATOM 387 N ASN A 25 68.314 -2.561 10.463 1.00 0.00 N ATOM 388 CA ASN A 25 69.710 -2.821 10.802 1.00 0.00 C ATOM 389 C ASN A 25 70.558 -2.938 9.539 1.00 0.00 C ATOM 390 O ASN A 25 71.658 -2.393 9.463 1.00 0.00 O ATOM 391 CB ASN A 25 69.819 -4.127 11.599 1.00 0.00 C ATOM 392 CG ASN A 25 71.039 -4.078 12.512 1.00 0.00 C ATOM 393 OD1 ASN A 25 70.968 -4.489 13.670 1.00 0.00 O ATOM 394 ND2 ASN A 25 72.161 -3.590 12.058 1.00 0.00 N ATOM 0 H ASN A 25 67.686 -3.346 10.634 1.00 0.00 H new ATOM 0 HA ASN A 25 70.076 -1.988 11.402 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.917 -4.278 12.191 1.00 0.00 H new ATOM 0 HB3 ASN A 25 69.898 -4.974 10.917 1.00 0.00 H new ATOM 0 HD21 ASN A 25 72.981 -3.549 12.663 1.00 0.00 H new ATOM 0 HD22 ASN A 25 72.218 -3.250 11.098 1.00 0.00 H new ATOM 401 N ALA A 26 70.037 -3.660 8.549 1.00 0.00 N ATOM 402 CA ALA A 26 70.753 -3.851 7.293 1.00 0.00 C ATOM 403 C ALA A 26 71.060 -2.512 6.634 1.00 0.00 C ATOM 404 O ALA A 26 72.149 -2.309 6.097 1.00 0.00 O ATOM 405 CB ALA A 26 69.914 -4.708 6.341 1.00 0.00 C ATOM 0 H ALA A 26 69.127 -4.119 8.593 1.00 0.00 H new ATOM 0 HA ALA A 26 71.694 -4.357 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.454 -4.847 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.724 -5.679 6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.966 -4.209 6.142 1.00 0.00 H new ATOM 411 N LYS A 27 70.095 -1.602 6.676 1.00 0.00 N ATOM 412 CA LYS A 27 70.275 -0.285 6.078 1.00 0.00 C ATOM 413 C LYS A 27 71.444 0.442 6.736 1.00 0.00 C ATOM 414 O LYS A 27 72.144 1.224 6.093 1.00 0.00 O ATOM 415 CB LYS A 27 68.998 0.541 6.246 1.00 0.00 C ATOM 416 CG LYS A 27 68.067 0.297 5.057 1.00 0.00 C ATOM 417 CD LYS A 27 66.667 0.815 5.395 1.00 0.00 C ATOM 418 CE LYS A 27 65.746 0.623 4.188 1.00 0.00 C ATOM 419 NZ LYS A 27 65.555 1.929 3.497 1.00 0.00 N ATOM 0 H LYS A 27 69.186 -1.750 7.114 1.00 0.00 H new ATOM 0 HA LYS A 27 70.489 -0.411 5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.497 0.269 7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.245 1.600 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.450 0.803 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 27 68.027 -0.767 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.269 0.281 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.714 1.870 5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.177 -0.105 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.784 0.226 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.541 2.088 3.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 65.933 2.695 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 66.058 1.917 2.587 1.00 0.00 H new ATOM 433 N ALA A 28 71.645 0.180 8.023 1.00 0.00 N ATOM 434 CA ALA A 28 72.731 0.814 8.764 1.00 0.00 C ATOM 435 C ALA A 28 74.083 0.277 8.307 1.00 0.00 C ATOM 436 O ALA A 28 75.037 1.036 8.134 1.00 0.00 O ATOM 437 CB ALA A 28 72.556 0.557 10.263 1.00 0.00 C ATOM 0 H ALA A 28 71.075 -0.463 8.572 1.00 0.00 H new ATOM 0 HA ALA A 28 72.699 1.886 8.571 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.369 1.032 10.811 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.604 0.972 10.595 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.570 -0.516 10.452 1.00 0.00 H new ATOM 443 N LYS A 29 74.159 -1.036 8.116 1.00 0.00 N ATOM 444 CA LYS A 29 75.402 -1.666 7.682 1.00 0.00 C ATOM 445 C LYS A 29 75.839 -1.123 6.325 1.00 0.00 C ATOM 446 O LYS A 29 77.017 -0.842 6.108 1.00 0.00 O ATOM 447 CB LYS A 29 75.215 -3.181 7.588 1.00 0.00 C ATOM 448 CG LYS A 29 75.865 -3.854 8.801 1.00 0.00 C ATOM 449 CD LYS A 29 75.626 -5.364 8.736 1.00 0.00 C ATOM 450 CE LYS A 29 76.062 -6.008 10.052 1.00 0.00 C ATOM 451 NZ LYS A 29 77.533 -5.844 10.223 1.00 0.00 N ATOM 0 H LYS A 29 73.381 -1.681 8.254 1.00 0.00 H new ATOM 0 HA LYS A 29 76.174 -1.438 8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.153 -3.425 7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.662 -3.557 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.935 -3.645 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 29 75.447 -3.448 9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.571 -5.568 8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.184 -5.796 7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.535 -5.547 10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.801 -7.066 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.859 -6.436 11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 78.018 -6.135 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 77.750 -4.847 10.424 1.00 0.00 H new ATOM 465 N ILE A 30 74.883 -0.981 5.414 1.00 0.00 N ATOM 466 CA ILE A 30 75.184 -0.473 4.082 1.00 0.00 C ATOM 467 C ILE A 30 75.604 0.992 4.145 1.00 0.00 C ATOM 468 O ILE A 30 76.503 1.419 3.423 1.00 0.00 O ATOM 469 CB ILE A 30 73.959 -0.624 3.180 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.946 -2.040 2.601 1.00 0.00 C ATOM 471 CG2 ILE A 30 74.023 0.395 2.036 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.567 -2.345 2.026 1.00 0.00 C ATOM 0 H ILE A 30 73.901 -1.208 5.572 1.00 0.00 H new ATOM 0 HA ILE A 30 76.010 -1.052 3.670 1.00 0.00 H new ATOM 0 HB ILE A 30 73.053 -0.448 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.704 -2.133 1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.196 -2.763 3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.147 0.281 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.043 1.404 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.925 0.225 1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.560 -3.354 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.819 -2.270 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.335 -1.629 1.237 1.00 0.00 H new ATOM 484 N GLN A 31 74.949 1.752 5.014 1.00 0.00 N ATOM 485 CA GLN A 31 75.267 3.167 5.162 1.00 0.00 C ATOM 486 C GLN A 31 76.733 3.349 5.540 1.00 0.00 C ATOM 487 O GLN A 31 77.430 4.186 4.973 1.00 0.00 O ATOM 488 CB GLN A 31 74.378 3.792 6.239 1.00 0.00 C ATOM 489 CG GLN A 31 74.973 5.130 6.681 1.00 0.00 C ATOM 490 CD GLN A 31 73.907 5.971 7.374 1.00 0.00 C ATOM 491 OE1 GLN A 31 73.043 5.433 8.068 1.00 0.00 O ATOM 492 NE2 GLN A 31 73.916 7.269 7.231 1.00 0.00 N ATOM 0 H GLN A 31 74.201 1.417 5.622 1.00 0.00 H new ATOM 0 HA GLN A 31 75.085 3.663 4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.370 3.941 5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.296 3.119 7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.810 4.959 7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 31 75.366 5.666 5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 31 74.632 7.714 6.656 1.00 0.00 H new ATOM 0 HE22 GLN A 31 73.207 7.838 7.694 1.00 0.00 H new ATOM 501 N ASP A 32 77.193 2.562 6.503 1.00 0.00 N ATOM 502 CA ASP A 32 78.578 2.651 6.951 1.00 0.00 C ATOM 503 C ASP A 32 79.539 2.219 5.846 1.00 0.00 C ATOM 504 O ASP A 32 80.737 2.498 5.913 1.00 0.00 O ATOM 505 CB ASP A 32 78.783 1.763 8.181 1.00 0.00 C ATOM 506 CG ASP A 32 80.098 2.121 8.867 1.00 0.00 C ATOM 507 OD1 ASP A 32 81.131 1.973 8.235 1.00 0.00 O ATOM 508 OD2 ASP A 32 80.051 2.542 10.010 1.00 0.00 O ATOM 0 H ASP A 32 76.633 1.860 6.987 1.00 0.00 H new ATOM 0 HA ASP A 32 78.787 3.690 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 32 77.953 1.892 8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.791 0.714 7.886 1.00 0.00 H new ATOM 513 N LYS A 33 79.015 1.528 4.841 1.00 0.00 N ATOM 514 CA LYS A 33 79.849 1.055 3.739 1.00 0.00 C ATOM 515 C LYS A 33 79.795 2.004 2.542 1.00 0.00 C ATOM 516 O LYS A 33 80.818 2.278 1.916 1.00 0.00 O ATOM 517 CB LYS A 33 79.386 -0.334 3.297 1.00 0.00 C ATOM 518 CG LYS A 33 79.791 -1.372 4.349 1.00 0.00 C ATOM 519 CD LYS A 33 80.991 -2.175 3.840 1.00 0.00 C ATOM 520 CE LYS A 33 81.396 -3.211 4.890 1.00 0.00 C ATOM 521 NZ LYS A 33 82.610 -2.735 5.613 1.00 0.00 N ATOM 0 H LYS A 33 78.028 1.284 4.764 1.00 0.00 H new ATOM 0 HA LYS A 33 80.877 1.014 4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.304 -0.342 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.829 -0.586 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 33 80.043 -0.876 5.286 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.955 -2.040 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.739 -2.671 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.827 -1.507 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.579 -3.370 5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.596 -4.170 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.887 -3.438 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 83.388 -2.605 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 82.403 -1.830 6.081 1.00 0.00 H new ATOM 535 N GLU A 34 78.598 2.484 2.216 1.00 0.00 N ATOM 536 CA GLU A 34 78.436 3.380 1.073 1.00 0.00 C ATOM 537 C GLU A 34 78.300 4.838 1.509 1.00 0.00 C ATOM 538 O GLU A 34 78.586 5.751 0.735 1.00 0.00 O ATOM 539 CB GLU A 34 77.197 2.972 0.271 1.00 0.00 C ATOM 540 CG GLU A 34 77.349 1.524 -0.201 1.00 0.00 C ATOM 541 CD GLU A 34 78.497 1.416 -1.199 1.00 0.00 C ATOM 542 OE1 GLU A 34 79.600 1.123 -0.773 1.00 0.00 O ATOM 543 OE2 GLU A 34 78.253 1.626 -2.377 1.00 0.00 O ATOM 0 H GLU A 34 77.736 2.272 2.719 1.00 0.00 H new ATOM 0 HA GLU A 34 79.330 3.295 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.303 3.073 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 34 77.071 3.634 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 34 77.537 0.873 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 34 76.422 1.185 -0.663 1.00 0.00 H new ATOM 550 N GLY A 35 77.859 5.056 2.744 1.00 0.00 N ATOM 551 CA GLY A 35 77.692 6.416 3.248 1.00 0.00 C ATOM 552 C GLY A 35 76.358 7.001 2.796 1.00 0.00 C ATOM 553 O GLY A 35 76.196 8.219 2.722 1.00 0.00 O ATOM 0 H GLY A 35 77.614 4.320 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.743 6.414 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.509 7.044 2.892 1.00 0.00 H new ATOM 557 N ILE A 36 75.406 6.125 2.493 1.00 0.00 N ATOM 558 CA ILE A 36 74.089 6.563 2.046 1.00 0.00 C ATOM 559 C ILE A 36 73.102 6.559 3.225 1.00 0.00 C ATOM 560 O ILE A 36 73.048 5.583 3.974 1.00 0.00 O ATOM 561 CB ILE A 36 73.583 5.622 0.948 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.643 5.507 -0.151 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.290 6.177 0.344 1.00 0.00 C ATOM 564 CD1 ILE A 36 74.193 4.481 -1.192 1.00 0.00 C ATOM 0 H ILE A 36 75.521 5.113 2.548 1.00 0.00 H new ATOM 0 HA ILE A 36 74.165 7.576 1.652 1.00 0.00 H new ATOM 0 HB ILE A 36 73.389 4.640 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.797 6.477 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.598 5.207 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.935 5.504 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.532 6.262 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.482 7.161 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.948 4.400 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 36 74.061 3.511 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.248 4.800 -1.632 1.00 0.00 H new ATOM 576 N PRO A 37 72.322 7.607 3.417 1.00 0.00 N ATOM 577 CA PRO A 37 71.341 7.662 4.544 1.00 0.00 C ATOM 578 C PRO A 37 70.118 6.766 4.285 1.00 0.00 C ATOM 579 O PRO A 37 69.584 6.768 3.178 1.00 0.00 O ATOM 580 CB PRO A 37 70.929 9.134 4.590 1.00 0.00 C ATOM 581 CG PRO A 37 71.120 9.637 3.200 1.00 0.00 C ATOM 582 CD PRO A 37 72.278 8.839 2.604 1.00 0.00 C ATOM 0 HA PRO A 37 71.769 7.302 5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.893 9.243 4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 37 71.541 9.692 5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 37 70.213 9.503 2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 37 71.344 10.704 3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.108 8.616 1.551 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.216 9.391 2.665 1.00 0.00 H new ATOM 590 N PRO A 38 69.658 6.008 5.261 1.00 0.00 N ATOM 591 CA PRO A 38 68.474 5.120 5.083 1.00 0.00 C ATOM 592 C PRO A 38 67.342 5.796 4.310 1.00 0.00 C ATOM 593 O PRO A 38 66.420 5.130 3.835 1.00 0.00 O ATOM 594 CB PRO A 38 68.032 4.813 6.513 1.00 0.00 C ATOM 595 CG PRO A 38 69.258 4.945 7.353 1.00 0.00 C ATOM 596 CD PRO A 38 70.205 5.907 6.629 1.00 0.00 C ATOM 0 HA PRO A 38 68.724 4.233 4.501 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.257 5.506 6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.614 3.809 6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.006 5.326 8.343 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.732 3.974 7.496 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.231 6.881 7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.226 5.527 6.621 1.00 0.00 H new ATOM 604 N ASP A 39 67.407 7.118 4.198 1.00 0.00 N ATOM 605 CA ASP A 39 66.372 7.870 3.496 1.00 0.00 C ATOM 606 C ASP A 39 66.475 7.683 1.984 1.00 0.00 C ATOM 607 O ASP A 39 65.480 7.804 1.270 1.00 0.00 O ATOM 608 CB ASP A 39 66.489 9.357 3.833 1.00 0.00 C ATOM 609 CG ASP A 39 65.110 10.009 3.798 1.00 0.00 C ATOM 610 OD1 ASP A 39 64.649 10.434 4.844 1.00 0.00 O ATOM 611 OD2 ASP A 39 64.535 10.071 2.723 1.00 0.00 O ATOM 0 H ASP A 39 68.160 7.689 4.581 1.00 0.00 H new ATOM 0 HA ASP A 39 65.404 7.490 3.824 1.00 0.00 H new ATOM 0 HB2 ASP A 39 66.934 9.481 4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.151 9.849 3.121 1.00 0.00 H new ATOM 616 N GLN A 40 67.683 7.395 1.502 1.00 0.00 N ATOM 617 CA GLN A 40 67.900 7.203 0.071 1.00 0.00 C ATOM 618 C GLN A 40 68.200 5.740 -0.242 1.00 0.00 C ATOM 619 O GLN A 40 68.587 5.405 -1.361 1.00 0.00 O ATOM 620 CB GLN A 40 69.069 8.072 -0.397 1.00 0.00 C ATOM 621 CG GLN A 40 68.564 9.481 -0.713 1.00 0.00 C ATOM 622 CD GLN A 40 69.742 10.408 -0.987 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.341 10.353 -2.062 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.112 11.266 -0.075 1.00 0.00 N ATOM 0 H GLN A 40 68.519 7.290 2.077 1.00 0.00 H new ATOM 0 HA GLN A 40 66.990 7.493 -0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.837 8.114 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.531 7.633 -1.281 1.00 0.00 H new ATOM 0 HG2 GLN A 40 67.903 9.453 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 40 67.978 9.862 0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 40 69.615 11.311 0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.898 11.892 -0.252 1.00 0.00 H new ATOM 633 N GLN A 41 68.023 4.875 0.751 1.00 0.00 N ATOM 634 CA GLN A 41 68.283 3.451 0.566 1.00 0.00 C ATOM 635 C GLN A 41 66.977 2.676 0.431 1.00 0.00 C ATOM 636 O GLN A 41 66.101 2.762 1.291 1.00 0.00 O ATOM 637 CB GLN A 41 69.079 2.906 1.754 1.00 0.00 C ATOM 638 CG GLN A 41 70.341 3.745 1.956 1.00 0.00 C ATOM 639 CD GLN A 41 71.027 3.347 3.258 1.00 0.00 C ATOM 640 OE1 GLN A 41 71.096 4.143 4.195 1.00 0.00 O ATOM 641 NE2 GLN A 41 71.539 2.152 3.375 1.00 0.00 N ATOM 0 H GLN A 41 67.703 5.131 1.685 1.00 0.00 H new ATOM 0 HA GLN A 41 68.861 3.326 -0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.467 2.929 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.347 1.864 1.577 1.00 0.00 H new ATOM 0 HG2 GLN A 41 71.022 3.601 1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.084 4.804 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 41 71.481 1.494 2.598 1.00 0.00 H new ATOM 0 HE22 GLN A 41 71.997 1.876 4.244 1.00 0.00 H new ATOM 650 N ARG A 42 66.861 1.914 -0.652 1.00 0.00 N ATOM 651 CA ARG A 42 65.662 1.118 -0.894 1.00 0.00 C ATOM 652 C ARG A 42 66.048 -0.310 -1.276 1.00 0.00 C ATOM 653 O ARG A 42 66.673 -0.536 -2.311 1.00 0.00 O ATOM 654 CB ARG A 42 64.835 1.740 -2.020 1.00 0.00 C ATOM 655 CG ARG A 42 63.388 1.914 -1.560 1.00 0.00 C ATOM 656 CD ARG A 42 62.514 2.268 -2.763 1.00 0.00 C ATOM 657 NE ARG A 42 61.157 2.577 -2.327 1.00 0.00 N ATOM 658 CZ ARG A 42 60.204 2.874 -3.204 1.00 0.00 C ATOM 659 NH1 ARG A 42 58.996 3.141 -2.791 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.476 2.896 -4.481 1.00 0.00 N ATOM 0 H ARG A 42 67.578 1.831 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 42 65.068 1.099 0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.255 2.705 -2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 42 64.872 1.105 -2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.030 0.996 -1.093 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.326 2.700 -0.807 1.00 0.00 H new ATOM 0 HD2 ARG A 42 62.938 3.123 -3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.497 1.436 -3.467 1.00 0.00 H new ATOM 0 HE ARG A 42 60.936 2.565 -1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 42 58.782 3.122 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.265 3.369 -3.465 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.420 2.685 -4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.745 3.124 -5.154 1.00 0.00 H new ATOM 674 N LEU A 43 65.676 -1.265 -0.432 1.00 0.00 N ATOM 675 CA LEU A 43 65.997 -2.664 -0.693 1.00 0.00 C ATOM 676 C LEU A 43 64.832 -3.365 -1.385 1.00 0.00 C ATOM 677 O LEU A 43 63.724 -3.424 -0.852 1.00 0.00 O ATOM 678 CB LEU A 43 66.315 -3.380 0.623 1.00 0.00 C ATOM 679 CG LEU A 43 67.452 -2.651 1.346 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.731 -3.343 2.682 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.718 -2.680 0.486 1.00 0.00 C ATOM 0 H LEU A 43 65.157 -1.100 0.430 1.00 0.00 H new ATOM 0 HA LEU A 43 66.867 -2.700 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.428 -3.409 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.600 -4.414 0.426 1.00 0.00 H new ATOM 0 HG LEU A 43 67.160 -1.616 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.540 -2.826 3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 43 66.833 -3.318 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 43 68.019 -4.379 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.523 -2.160 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 43 69.011 -3.714 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.522 -2.187 -0.466 1.00 0.00 H new ATOM 693 N ILE A 44 65.099 -3.898 -2.576 1.00 0.00 N ATOM 694 CA ILE A 44 64.077 -4.603 -3.344 1.00 0.00 C ATOM 695 C ILE A 44 64.453 -6.075 -3.489 1.00 0.00 C ATOM 696 O ILE A 44 65.618 -6.408 -3.709 1.00 0.00 O ATOM 697 CB ILE A 44 63.939 -3.968 -4.733 1.00 0.00 C ATOM 698 CG1 ILE A 44 62.997 -2.762 -4.660 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.367 -4.992 -5.715 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.565 -1.714 -3.700 1.00 0.00 C ATOM 0 H ILE A 44 66.012 -3.855 -3.028 1.00 0.00 H new ATOM 0 HA ILE A 44 63.126 -4.528 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 44 64.922 -3.644 -5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 44 62.870 -2.328 -5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 44 62.011 -3.080 -4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.271 -4.537 -6.701 1.00 0.00 H new ATOM 0 HG22 ILE A 44 64.036 -5.851 -5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.387 -5.319 -5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.890 -0.860 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.669 -2.149 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.542 -1.386 -4.056 1.00 0.00 H new ATOM 712 N PHE A 45 63.463 -6.953 -3.365 1.00 0.00 N ATOM 713 CA PHE A 45 63.709 -8.386 -3.487 1.00 0.00 C ATOM 714 C PHE A 45 62.467 -9.099 -4.012 1.00 0.00 C ATOM 715 O PHE A 45 61.380 -8.970 -3.448 1.00 0.00 O ATOM 716 CB PHE A 45 64.099 -8.966 -2.125 1.00 0.00 C ATOM 717 CG PHE A 45 64.452 -10.428 -2.280 1.00 0.00 C ATOM 718 CD1 PHE A 45 65.673 -10.797 -2.856 1.00 0.00 C ATOM 719 CD2 PHE A 45 63.556 -11.413 -1.847 1.00 0.00 C ATOM 720 CE1 PHE A 45 65.999 -12.152 -2.998 1.00 0.00 C ATOM 721 CE2 PHE A 45 63.882 -12.768 -1.988 1.00 0.00 C ATOM 722 CZ PHE A 45 65.105 -13.136 -2.564 1.00 0.00 C ATOM 0 H PHE A 45 62.492 -6.701 -3.182 1.00 0.00 H new ATOM 0 HA PHE A 45 64.526 -8.538 -4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 45 64.947 -8.418 -1.714 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.275 -8.853 -1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 45 66.364 -10.037 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 45 62.613 -11.128 -1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 45 66.941 -12.437 -3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 45 63.192 -13.528 -1.653 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.358 -14.180 -2.673 1.00 0.00 H new ATOM 732 N ALA A 46 62.635 -9.851 -5.095 1.00 0.00 N ATOM 733 CA ALA A 46 61.520 -10.579 -5.689 1.00 0.00 C ATOM 734 C ALA A 46 60.530 -9.612 -6.329 1.00 0.00 C ATOM 735 O ALA A 46 59.318 -9.817 -6.267 1.00 0.00 O ATOM 736 CB ALA A 46 60.809 -11.408 -4.618 1.00 0.00 C ATOM 0 H ALA A 46 63.526 -9.972 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 46 61.912 -11.242 -6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 46 59.977 -11.949 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.511 -12.119 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.431 -10.747 -3.838 1.00 0.00 H new ATOM 742 N GLY A 47 61.055 -8.556 -6.944 1.00 0.00 N ATOM 743 CA GLY A 47 60.207 -7.562 -7.592 1.00 0.00 C ATOM 744 C GLY A 47 59.331 -6.843 -6.571 1.00 0.00 C ATOM 745 O GLY A 47 58.595 -5.918 -6.914 1.00 0.00 O ATOM 0 H GLY A 47 62.055 -8.368 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 47 60.827 -6.837 -8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.578 -8.046 -8.339 1.00 0.00 H new ATOM 749 N LYS A 48 59.416 -7.276 -5.317 1.00 0.00 N ATOM 750 CA LYS A 48 58.629 -6.668 -4.253 1.00 0.00 C ATOM 751 C LYS A 48 59.498 -5.740 -3.410 1.00 0.00 C ATOM 752 O LYS A 48 60.672 -6.022 -3.169 1.00 0.00 O ATOM 753 CB LYS A 48 58.026 -7.762 -3.366 1.00 0.00 C ATOM 754 CG LYS A 48 57.716 -7.192 -1.983 1.00 0.00 C ATOM 755 CD LYS A 48 56.701 -8.093 -1.275 1.00 0.00 C ATOM 756 CE LYS A 48 57.251 -9.519 -1.197 1.00 0.00 C ATOM 757 NZ LYS A 48 58.676 -9.477 -0.765 1.00 0.00 N ATOM 0 H LYS A 48 60.019 -8.041 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 48 57.827 -6.082 -4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 48 57.116 -8.152 -3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.721 -8.597 -3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 48 58.630 -7.123 -1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 48 57.319 -6.181 -2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.499 -7.714 -0.273 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.754 -8.086 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 48 56.664 -10.109 -0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 48 57.168 -10.006 -2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 58.947 -10.401 -0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 59.280 -9.257 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 58.797 -8.743 -0.038 1.00 0.00 H new ATOM 771 N GLN A 49 58.912 -4.633 -2.967 1.00 0.00 N ATOM 772 CA GLN A 49 59.644 -3.669 -2.152 1.00 0.00 C ATOM 773 C GLN A 49 59.604 -4.074 -0.681 1.00 0.00 C ATOM 774 O GLN A 49 58.585 -4.556 -0.189 1.00 0.00 O ATOM 775 CB GLN A 49 59.033 -2.276 -2.318 1.00 0.00 C ATOM 776 CG GLN A 49 59.612 -1.337 -1.259 1.00 0.00 C ATOM 777 CD GLN A 49 59.427 0.114 -1.693 1.00 0.00 C ATOM 778 OE1 GLN A 49 58.929 0.377 -2.788 1.00 0.00 O ATOM 779 NE2 GLN A 49 59.800 1.077 -0.894 1.00 0.00 N ATOM 0 H GLN A 49 57.942 -4.382 -3.156 1.00 0.00 H new ATOM 0 HA GLN A 49 60.682 -3.652 -2.484 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.244 -1.891 -3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 49 57.949 -2.328 -2.219 1.00 0.00 H new ATOM 0 HG2 GLN A 49 59.118 -1.505 -0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.671 -1.549 -1.112 1.00 0.00 H new ATOM 0 HE21 GLN A 49 60.212 0.857 0.013 1.00 0.00 H new ATOM 0 HE22 GLN A 49 59.679 2.050 -1.176 1.00 0.00 H new ATOM 788 N LEU A 50 60.720 -3.877 0.012 1.00 0.00 N ATOM 789 CA LEU A 50 60.801 -4.227 1.426 1.00 0.00 C ATOM 790 C LEU A 50 60.488 -3.018 2.302 1.00 0.00 C ATOM 791 O LEU A 50 60.681 -1.874 1.888 1.00 0.00 O ATOM 792 CB LEU A 50 62.199 -4.750 1.760 1.00 0.00 C ATOM 793 CG LEU A 50 62.600 -5.836 0.759 1.00 0.00 C ATOM 794 CD1 LEU A 50 63.983 -6.380 1.122 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.579 -6.976 0.806 1.00 0.00 C ATOM 0 H LEU A 50 61.575 -3.480 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 50 60.064 -5.005 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 50 62.919 -3.932 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.214 -5.153 2.773 1.00 0.00 H new ATOM 0 HG LEU A 50 62.627 -5.411 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.268 -7.153 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.712 -5.570 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.955 -6.804 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.864 -7.750 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.553 -7.400 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.592 -6.591 0.548 1.00 0.00 H new ATOM 807 N GLU A 51 60.007 -3.283 3.514 1.00 0.00 N ATOM 808 CA GLU A 51 59.669 -2.214 4.450 1.00 0.00 C ATOM 809 C GLU A 51 60.366 -2.434 5.788 1.00 0.00 C ATOM 810 O GLU A 51 60.718 -3.560 6.140 1.00 0.00 O ATOM 811 CB GLU A 51 58.155 -2.165 4.663 1.00 0.00 C ATOM 812 CG GLU A 51 57.600 -0.865 4.076 1.00 0.00 C ATOM 813 CD GLU A 51 56.087 -0.811 4.264 1.00 0.00 C ATOM 814 OE1 GLU A 51 55.657 -0.457 5.349 1.00 0.00 O ATOM 815 OE2 GLU A 51 55.382 -1.120 3.318 1.00 0.00 O ATOM 0 H GLU A 51 59.843 -4.225 3.870 1.00 0.00 H new ATOM 0 HA GLU A 51 60.007 -1.267 4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.682 -3.023 4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.924 -2.224 5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 51 58.066 -0.008 4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.845 -0.801 3.016 1.00 0.00 H new ATOM 822 N ASP A 52 60.565 -1.348 6.524 1.00 0.00 N ATOM 823 CA ASP A 52 61.224 -1.422 7.820 1.00 0.00 C ATOM 824 C ASP A 52 60.293 -2.042 8.859 1.00 0.00 C ATOM 825 O ASP A 52 59.116 -1.691 8.938 1.00 0.00 O ATOM 826 CB ASP A 52 61.634 -0.020 8.271 1.00 0.00 C ATOM 827 CG ASP A 52 61.065 1.027 7.318 1.00 0.00 C ATOM 828 OD1 ASP A 52 61.628 1.195 6.249 1.00 0.00 O ATOM 829 OD2 ASP A 52 60.075 1.644 7.671 1.00 0.00 O ATOM 0 H ASP A 52 60.280 -0.409 6.246 1.00 0.00 H new ATOM 0 HA ASP A 52 62.111 -2.049 7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.273 0.164 9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.721 0.057 8.301 1.00 0.00 H new ATOM 834 N GLY A 53 60.832 -2.965 9.651 1.00 0.00 N ATOM 835 CA GLY A 53 60.048 -3.634 10.686 1.00 0.00 C ATOM 836 C GLY A 53 60.109 -5.147 10.519 1.00 0.00 C ATOM 837 O GLY A 53 60.106 -5.891 11.500 1.00 0.00 O ATOM 0 H GLY A 53 61.805 -3.266 9.597 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.425 -3.357 11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 53 59.012 -3.300 10.636 1.00 0.00 H new ATOM 841 N ARG A 54 60.172 -5.596 9.271 1.00 0.00 N ATOM 842 CA ARG A 54 60.243 -7.026 8.986 1.00 0.00 C ATOM 843 C ARG A 54 61.696 -7.473 8.956 1.00 0.00 C ATOM 844 O ARG A 54 62.579 -6.697 8.587 1.00 0.00 O ATOM 845 CB ARG A 54 59.587 -7.339 7.640 1.00 0.00 C ATOM 846 CG ARG A 54 58.741 -6.150 7.178 1.00 0.00 C ATOM 847 CD ARG A 54 57.699 -5.809 8.247 1.00 0.00 C ATOM 848 NE ARG A 54 56.376 -5.708 7.643 1.00 0.00 N ATOM 849 CZ ARG A 54 55.278 -5.653 8.391 1.00 0.00 C ATOM 850 NH1 ARG A 54 54.107 -5.571 7.825 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.375 -5.679 9.694 1.00 0.00 N ATOM 0 H ARG A 54 60.175 -4.997 8.445 1.00 0.00 H new ATOM 0 HA ARG A 54 59.710 -7.562 9.771 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.352 -7.561 6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.962 -8.227 7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 54 59.381 -5.287 6.992 1.00 0.00 H new ATOM 0 HG3 ARG A 54 58.245 -6.388 6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.696 -6.576 9.021 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.959 -4.868 8.732 1.00 0.00 H new ATOM 0 HE ARG A 54 56.291 -5.679 6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 54 54.033 -5.549 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.265 -5.529 8.399 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.292 -5.741 10.136 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.534 -5.637 10.269 1.00 0.00 H new ATOM 865 N THR A 55 61.946 -8.719 9.351 1.00 0.00 N ATOM 866 CA THR A 55 63.309 -9.232 9.366 1.00 0.00 C ATOM 867 C THR A 55 63.583 -10.143 8.188 1.00 0.00 C ATOM 868 O THR A 55 62.670 -10.538 7.461 1.00 0.00 O ATOM 869 CB THR A 55 63.590 -9.970 10.670 1.00 0.00 C ATOM 870 OG1 THR A 55 62.835 -11.173 10.716 1.00 0.00 O ATOM 871 CG2 THR A 55 63.201 -9.067 11.829 1.00 0.00 C ATOM 0 H THR A 55 61.234 -9.381 9.660 1.00 0.00 H new ATOM 0 HA THR A 55 63.976 -8.374 9.288 1.00 0.00 H new ATOM 0 HB THR A 55 64.648 -10.222 10.736 1.00 0.00 H new ATOM 0 HG1 THR A 55 63.020 -11.644 11.555 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.396 -9.580 12.771 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.787 -8.149 11.788 1.00 0.00 H new ATOM 0 HG23 THR A 55 62.141 -8.824 11.761 1.00 0.00 H new ATOM 879 N LEU A 56 64.856 -10.469 8.005 1.00 0.00 N ATOM 880 CA LEU A 56 65.253 -11.331 6.913 1.00 0.00 C ATOM 881 C LEU A 56 64.492 -12.647 7.005 1.00 0.00 C ATOM 882 O LEU A 56 64.150 -13.255 5.989 1.00 0.00 O ATOM 883 CB LEU A 56 66.762 -11.610 6.974 1.00 0.00 C ATOM 884 CG LEU A 56 67.569 -10.340 6.659 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.062 -10.659 6.746 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.261 -9.853 5.244 1.00 0.00 C ATOM 0 H LEU A 56 65.622 -10.149 8.597 1.00 0.00 H new ATOM 0 HA LEU A 56 65.023 -10.835 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.028 -11.978 7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.020 -12.395 6.263 1.00 0.00 H new ATOM 0 HG LEU A 56 67.299 -9.566 7.377 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.639 -9.762 6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.302 -11.005 7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.310 -11.438 6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.839 -8.953 5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.526 -10.629 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.198 -9.628 5.160 1.00 0.00 H new ATOM 898 N SER A 57 64.231 -13.083 8.234 1.00 0.00 N ATOM 899 CA SER A 57 63.508 -14.331 8.455 1.00 0.00 C ATOM 900 C SER A 57 62.039 -14.184 8.061 1.00 0.00 C ATOM 901 O SER A 57 61.405 -15.148 7.631 1.00 0.00 O ATOM 902 CB SER A 57 63.604 -14.737 9.925 1.00 0.00 C ATOM 903 OG SER A 57 64.289 -15.978 10.026 1.00 0.00 O ATOM 0 H SER A 57 64.507 -12.595 9.086 1.00 0.00 H new ATOM 0 HA SER A 57 63.962 -15.103 7.833 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.132 -13.970 10.492 1.00 0.00 H new ATOM 0 HB3 SER A 57 62.607 -14.823 10.356 1.00 0.00 H new ATOM 0 HG SER A 57 64.354 -16.240 10.968 1.00 0.00 H new ATOM 909 N ASP A 58 61.502 -12.978 8.213 1.00 0.00 N ATOM 910 CA ASP A 58 60.106 -12.727 7.870 1.00 0.00 C ATOM 911 C ASP A 58 59.929 -12.642 6.358 1.00 0.00 C ATOM 912 O ASP A 58 58.907 -13.068 5.818 1.00 0.00 O ATOM 913 CB ASP A 58 59.633 -11.423 8.512 1.00 0.00 C ATOM 914 CG ASP A 58 59.865 -11.469 10.019 1.00 0.00 C ATOM 915 OD1 ASP A 58 59.285 -10.650 10.713 1.00 0.00 O ATOM 916 OD2 ASP A 58 60.616 -12.326 10.455 1.00 0.00 O ATOM 0 H ASP A 58 62.006 -12.166 8.568 1.00 0.00 H new ATOM 0 HA ASP A 58 59.508 -13.556 8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.170 -10.579 8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.574 -11.268 8.303 1.00 0.00 H new ATOM 921 N TYR A 59 60.930 -12.093 5.678 1.00 0.00 N ATOM 922 CA TYR A 59 60.875 -11.966 4.228 1.00 0.00 C ATOM 923 C TYR A 59 61.416 -13.232 3.576 1.00 0.00 C ATOM 924 O TYR A 59 61.746 -13.244 2.391 1.00 0.00 O ATOM 925 CB TYR A 59 61.693 -10.754 3.770 1.00 0.00 C ATOM 926 CG TYR A 59 60.786 -9.554 3.608 1.00 0.00 C ATOM 927 CD1 TYR A 59 60.966 -8.425 4.414 1.00 0.00 C ATOM 928 CD2 TYR A 59 59.767 -9.574 2.647 1.00 0.00 C ATOM 929 CE1 TYR A 59 60.126 -7.314 4.262 1.00 0.00 C ATOM 930 CE2 TYR A 59 58.928 -8.464 2.495 1.00 0.00 C ATOM 931 CZ TYR A 59 59.107 -7.334 3.302 1.00 0.00 C ATOM 932 OH TYR A 59 58.280 -6.240 3.151 1.00 0.00 O ATOM 0 H TYR A 59 61.783 -11.731 6.105 1.00 0.00 H new ATOM 0 HA TYR A 59 59.837 -11.823 3.927 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.474 -10.535 4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.190 -10.975 2.826 1.00 0.00 H new ATOM 0 HD1 TYR A 59 61.753 -8.410 5.154 1.00 0.00 H new ATOM 0 HD2 TYR A 59 59.629 -10.445 2.024 1.00 0.00 H new ATOM 0 HE1 TYR A 59 60.264 -6.443 4.885 1.00 0.00 H new ATOM 0 HE2 TYR A 59 58.142 -8.479 1.755 1.00 0.00 H new ATOM 0 HH TYR A 59 57.628 -6.418 2.441 1.00 0.00 H new ATOM 942 N ASN A 60 61.508 -14.293 4.371 1.00 0.00 N ATOM 943 CA ASN A 60 62.014 -15.570 3.885 1.00 0.00 C ATOM 944 C ASN A 60 63.264 -15.371 3.037 1.00 0.00 C ATOM 945 O ASN A 60 63.432 -16.011 1.999 1.00 0.00 O ATOM 946 CB ASN A 60 60.937 -16.286 3.061 1.00 0.00 C ATOM 947 CG ASN A 60 60.687 -15.535 1.759 1.00 0.00 C ATOM 948 OD1 ASN A 60 59.875 -14.611 1.723 1.00 0.00 O ATOM 949 ND2 ASN A 60 61.343 -15.873 0.682 1.00 0.00 N ATOM 0 H ASN A 60 61.238 -14.293 5.355 1.00 0.00 H new ATOM 0 HA ASN A 60 62.274 -16.183 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.252 -17.307 2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 60 60.013 -16.352 3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 60 61.183 -15.371 -0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 60 62.016 -16.639 0.714 1.00 0.00 H new ATOM 956 N ILE A 61 64.145 -14.484 3.490 1.00 0.00 N ATOM 957 CA ILE A 61 65.381 -14.218 2.768 1.00 0.00 C ATOM 958 C ILE A 61 66.447 -15.233 3.166 1.00 0.00 C ATOM 959 O ILE A 61 66.509 -15.664 4.316 1.00 0.00 O ATOM 960 CB ILE A 61 65.859 -12.789 3.056 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.098 -11.831 2.129 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.364 -12.678 2.782 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.183 -10.397 2.654 1.00 0.00 C ATOM 0 H ILE A 61 64.026 -13.942 4.346 1.00 0.00 H new ATOM 0 HA ILE A 61 65.198 -14.312 1.698 1.00 0.00 H new ATOM 0 HB ILE A 61 65.672 -12.536 4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.515 -11.881 1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.054 -12.137 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.697 -11.661 2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.903 -13.374 3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.563 -12.920 1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.638 -9.732 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.744 -10.348 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.227 -10.088 2.702 1.00 0.00 H new ATOM 975 N GLN A 62 67.276 -15.625 2.203 1.00 0.00 N ATOM 976 CA GLN A 62 68.322 -16.607 2.467 1.00 0.00 C ATOM 977 C GLN A 62 69.612 -15.922 2.898 1.00 0.00 C ATOM 978 O GLN A 62 69.737 -14.700 2.822 1.00 0.00 O ATOM 979 CB GLN A 62 68.582 -17.445 1.215 1.00 0.00 C ATOM 980 CG GLN A 62 67.249 -17.861 0.591 1.00 0.00 C ATOM 981 CD GLN A 62 67.459 -19.046 -0.345 1.00 0.00 C ATOM 982 OE1 GLN A 62 66.759 -20.054 -0.241 1.00 0.00 O ATOM 983 NE2 GLN A 62 68.388 -18.987 -1.260 1.00 0.00 N ATOM 0 H GLN A 62 67.245 -15.282 1.243 1.00 0.00 H new ATOM 0 HA GLN A 62 67.984 -17.255 3.275 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.168 -16.872 0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.167 -18.328 1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.539 -18.127 1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.819 -17.024 0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.967 -18.152 -1.346 1.00 0.00 H new ATOM 0 HE22 GLN A 62 68.535 -19.776 -1.890 1.00 0.00 H new ATOM 992 N LYS A 63 70.563 -16.722 3.361 1.00 0.00 N ATOM 993 CA LYS A 63 71.842 -16.194 3.817 1.00 0.00 C ATOM 994 C LYS A 63 72.790 -15.969 2.654 1.00 0.00 C ATOM 995 O LYS A 63 73.885 -15.462 2.845 1.00 0.00 O ATOM 996 CB LYS A 63 72.484 -17.168 4.801 1.00 0.00 C ATOM 997 CG LYS A 63 72.709 -18.517 4.116 1.00 0.00 C ATOM 998 CD LYS A 63 72.936 -19.596 5.176 1.00 0.00 C ATOM 999 CE LYS A 63 74.033 -20.554 4.704 1.00 0.00 C ATOM 1000 NZ LYS A 63 74.170 -21.671 5.680 1.00 0.00 N ATOM 0 H LYS A 63 70.474 -17.736 3.431 1.00 0.00 H new ATOM 0 HA LYS A 63 71.654 -15.238 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.433 -16.767 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.843 -17.294 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 63 71.846 -18.773 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.570 -18.460 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 63 73.222 -19.137 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 63 72.011 -20.145 5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 63 73.788 -20.947 3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 63 74.979 -20.022 4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 74.915 -22.322 5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 74.423 -21.288 6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 73.268 -22.184 5.749 1.00 0.00 H new ATOM 1014 N GLU A 64 72.360 -16.348 1.461 1.00 0.00 N ATOM 1015 CA GLU A 64 73.165 -16.184 0.265 1.00 0.00 C ATOM 1016 C GLU A 64 72.387 -15.417 -0.806 1.00 0.00 C ATOM 1017 O GLU A 64 72.921 -15.093 -1.864 1.00 0.00 O ATOM 1018 CB GLU A 64 73.586 -17.550 -0.273 1.00 0.00 C ATOM 1019 CG GLU A 64 75.013 -17.853 0.184 1.00 0.00 C ATOM 1020 CD GLU A 64 75.349 -19.318 -0.069 1.00 0.00 C ATOM 1021 OE1 GLU A 64 74.432 -20.122 -0.101 1.00 0.00 O ATOM 1022 OE2 GLU A 64 76.524 -19.615 -0.221 1.00 0.00 O ATOM 0 H GLU A 64 71.449 -16.775 1.297 1.00 0.00 H new ATOM 0 HA GLU A 64 74.056 -15.612 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.905 -18.321 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.531 -17.558 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.717 -17.214 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.118 -17.627 1.245 1.00 0.00 H new ATOM 1029 N SER A 65 71.115 -15.153 -0.522 1.00 0.00 N ATOM 1030 CA SER A 65 70.250 -14.446 -1.465 1.00 0.00 C ATOM 1031 C SER A 65 70.918 -13.189 -2.015 1.00 0.00 C ATOM 1032 O SER A 65 71.924 -12.718 -1.484 1.00 0.00 O ATOM 1033 CB SER A 65 68.945 -14.058 -0.774 1.00 0.00 C ATOM 1034 OG SER A 65 68.073 -15.179 -0.751 1.00 0.00 O ATOM 0 H SER A 65 70.660 -15.417 0.352 1.00 0.00 H new ATOM 0 HA SER A 65 70.052 -15.119 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.146 -13.718 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.474 -13.228 -1.301 1.00 0.00 H new ATOM 0 HG SER A 65 67.143 -14.871 -0.771 1.00 0.00 H new ATOM 1040 N THR A 66 70.330 -12.649 -3.080 1.00 0.00 N ATOM 1041 CA THR A 66 70.842 -11.439 -3.712 1.00 0.00 C ATOM 1042 C THR A 66 69.826 -10.309 -3.561 1.00 0.00 C ATOM 1043 O THR A 66 68.677 -10.440 -3.986 1.00 0.00 O ATOM 1044 CB THR A 66 71.105 -11.695 -5.199 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.598 -13.017 -5.370 1.00 0.00 O ATOM 1046 CG2 THR A 66 72.135 -10.692 -5.718 1.00 0.00 C ATOM 0 H THR A 66 69.496 -13.033 -3.524 1.00 0.00 H new ATOM 0 HA THR A 66 71.776 -11.155 -3.227 1.00 0.00 H new ATOM 0 HB THR A 66 70.176 -11.578 -5.758 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.765 -13.183 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 66 72.321 -10.876 -6.776 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.754 -9.679 -5.587 1.00 0.00 H new ATOM 0 HG23 THR A 66 73.065 -10.805 -5.161 1.00 0.00 H new ATOM 1054 N LEU A 67 70.247 -9.207 -2.948 1.00 0.00 N ATOM 1055 CA LEU A 67 69.356 -8.069 -2.741 1.00 0.00 C ATOM 1056 C LEU A 67 69.671 -6.947 -3.725 1.00 0.00 C ATOM 1057 O LEU A 67 70.826 -6.737 -4.092 1.00 0.00 O ATOM 1058 CB LEU A 67 69.502 -7.544 -1.311 1.00 0.00 C ATOM 1059 CG LEU A 67 68.705 -8.431 -0.355 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.435 -8.523 0.986 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.316 -7.825 -0.135 1.00 0.00 C ATOM 0 H LEU A 67 71.192 -9.077 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 67 68.332 -8.405 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.553 -7.533 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 67 69.145 -6.516 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 67 68.605 -9.428 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 67 68.866 -9.156 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.425 -8.953 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 67 69.535 -7.526 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 67 66.747 -8.457 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.418 -6.828 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.793 -7.758 -1.089 1.00 0.00 H new ATOM 1073 N HIS A 68 68.634 -6.227 -4.141 1.00 0.00 N ATOM 1074 CA HIS A 68 68.805 -5.123 -5.078 1.00 0.00 C ATOM 1075 C HIS A 68 68.670 -3.787 -4.353 1.00 0.00 C ATOM 1076 O HIS A 68 67.660 -3.524 -3.701 1.00 0.00 O ATOM 1077 CB HIS A 68 67.755 -5.209 -6.187 1.00 0.00 C ATOM 1078 CG HIS A 68 67.978 -6.456 -6.996 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.799 -7.724 -6.468 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.361 -6.646 -8.302 1.00 0.00 C ATOM 1081 CE1 HIS A 68 68.070 -8.612 -7.440 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.419 -8.007 -8.580 1.00 0.00 N ATOM 0 H HIS A 68 67.671 -6.387 -3.846 1.00 0.00 H new ATOM 0 HA HIS A 68 69.801 -5.192 -5.516 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.754 -5.218 -5.755 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.817 -4.331 -6.829 1.00 0.00 H new ATOM 0 HD2 HIS A 68 68.583 -5.858 -9.006 1.00 0.00 H new ATOM 0 HE1 HIS A 68 68.013 -9.683 -7.315 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.673 -8.449 -9.464 1.00 0.00 H new ATOM 1090 N LEU A 69 69.695 -2.950 -4.467 1.00 0.00 N ATOM 1091 CA LEU A 69 69.677 -1.646 -3.814 1.00 0.00 C ATOM 1092 C LEU A 69 69.264 -0.559 -4.800 1.00 0.00 C ATOM 1093 O LEU A 69 69.920 -0.352 -5.821 1.00 0.00 O ATOM 1094 CB LEU A 69 71.063 -1.334 -3.238 1.00 0.00 C ATOM 1095 CG LEU A 69 70.991 -0.130 -2.283 1.00 0.00 C ATOM 1096 CD1 LEU A 69 72.303 -0.017 -1.508 1.00 0.00 C ATOM 1097 CD2 LEU A 69 70.756 1.170 -3.065 1.00 0.00 C ATOM 0 H LEU A 69 70.542 -3.148 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 69 68.949 -1.671 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.447 -2.205 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 69 71.761 -1.122 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 69 70.160 -0.283 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 69 72.253 0.836 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 69 72.465 -0.928 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 69 73.128 0.122 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 69 70.708 2.009 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 69 71.576 1.326 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 69 69.817 1.100 -3.614 1.00 0.00 H new ATOM 1109 N VAL A 70 68.172 0.131 -4.479 1.00 0.00 N ATOM 1110 CA VAL A 70 67.668 1.200 -5.331 1.00 0.00 C ATOM 1111 C VAL A 70 67.595 2.511 -4.553 1.00 0.00 C ATOM 1112 O VAL A 70 67.334 2.517 -3.350 1.00 0.00 O ATOM 1113 CB VAL A 70 66.279 0.840 -5.861 1.00 0.00 C ATOM 1114 CG1 VAL A 70 65.961 1.696 -7.088 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.250 -0.640 -6.250 1.00 0.00 C ATOM 0 H VAL A 70 67.621 -0.032 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 70 68.352 1.324 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 70 65.536 1.028 -5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 70 64.971 1.438 -7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 70 65.981 2.750 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 70 66.704 1.510 -7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.261 -0.898 -6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 70 66.994 -0.827 -7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.475 -1.251 -5.375 1.00 0.00 H new ATOM 1125 N LEU A 71 67.837 3.619 -5.245 1.00 0.00 N ATOM 1126 CA LEU A 71 67.802 4.929 -4.605 1.00 0.00 C ATOM 1127 C LEU A 71 66.468 5.620 -4.868 1.00 0.00 C ATOM 1128 O LEU A 71 66.050 5.769 -6.016 1.00 0.00 O ATOM 1129 CB LEU A 71 68.941 5.803 -5.137 1.00 0.00 C ATOM 1130 CG LEU A 71 70.263 5.036 -5.051 1.00 0.00 C ATOM 1131 CD1 LEU A 71 71.384 5.886 -5.651 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.586 4.728 -3.586 1.00 0.00 C ATOM 0 H LEU A 71 68.058 3.637 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 71 67.922 4.788 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 71 68.741 6.088 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.006 6.725 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 71 70.175 4.102 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.326 5.341 -5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 71 71.157 6.103 -6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 71 71.469 6.820 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.528 4.182 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 71 70.673 5.661 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.788 4.122 -3.157 1.00 0.00 H new