USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=17 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 -127:sc= 0.598 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0927 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 167:sc= -5.17! (180deg=-6.25!) USER MOD Set 2.2: A 68 HIS : no HE2:sc= -0.0395 X(o=-5.2,f=-5.7) USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= -0.0714 (180deg=-0.65) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -95:sc= 1.91 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00365 USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000193 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= -0.831 (180deg=-3.58!) USER MOD Single : A 29 LYS NZ :NH3+ 136:sc= 0.631 (180deg=-0.202) USER MOD Single : A 31 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.4) 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=-0.011) USER MOD Single : A 41 GLN : amide:sc= -5.59! C(o=-5.6!,f=-9.1!) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.00296) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.847 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= -0.0591 USER MOD Single : A 60 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.016) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -160:sc= -0.334 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 75.277 -12.566 2.488 1.00 0.00 N ATOM 38 CA ILE A 3 74.301 -12.384 1.417 1.00 0.00 C ATOM 39 C ILE A 3 74.866 -11.419 0.380 1.00 0.00 C ATOM 40 O ILE A 3 75.875 -10.761 0.632 1.00 0.00 O ATOM 41 CB ILE A 3 73.007 -11.790 1.979 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.341 -10.612 2.896 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.247 -12.847 2.774 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.215 -9.582 2.823 1.00 0.00 C ATOM 0 HA ILE A 3 74.092 -13.352 0.963 1.00 0.00 H new ATOM 0 HB ILE A 3 72.386 -11.448 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.467 -10.959 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.285 -10.158 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.328 -12.414 3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 3 72.002 -13.686 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.867 -13.198 3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.449 -8.740 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 3 72.111 -9.228 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.280 -10.041 3.145 1.00 0.00 H new ATOM 56 N PHE A 4 74.226 -11.349 -0.781 1.00 0.00 N ATOM 57 CA PHE A 4 74.696 -10.469 -1.849 1.00 0.00 C ATOM 58 C PHE A 4 73.723 -9.318 -2.087 1.00 0.00 C ATOM 59 O PHE A 4 72.510 -9.512 -2.116 1.00 0.00 O ATOM 60 CB PHE A 4 74.858 -11.273 -3.140 1.00 0.00 C ATOM 61 CG PHE A 4 75.917 -12.332 -2.940 1.00 0.00 C ATOM 62 CD1 PHE A 4 75.548 -13.679 -2.856 1.00 0.00 C ATOM 63 CD2 PHE A 4 77.265 -11.968 -2.835 1.00 0.00 C ATOM 64 CE1 PHE A 4 76.525 -14.662 -2.666 1.00 0.00 C ATOM 65 CE2 PHE A 4 78.243 -12.950 -2.644 1.00 0.00 C ATOM 66 CZ PHE A 4 77.873 -14.298 -2.559 1.00 0.00 C ATOM 0 H PHE A 4 73.388 -11.885 -1.008 1.00 0.00 H new ATOM 0 HA PHE A 4 75.655 -10.049 -1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 4 73.911 -11.737 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.138 -10.612 -3.960 1.00 0.00 H new ATOM 0 HD1 PHE A 4 74.508 -13.960 -2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 4 77.550 -10.928 -2.902 1.00 0.00 H new ATOM 0 HE1 PHE A 4 76.240 -15.702 -2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 4 79.283 -12.669 -2.562 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.627 -15.057 -2.411 1.00 0.00 H new ATOM 76 N VAL A 5 74.272 -8.119 -2.268 1.00 0.00 N ATOM 77 CA VAL A 5 73.456 -6.936 -2.526 1.00 0.00 C ATOM 78 C VAL A 5 73.917 -6.265 -3.816 1.00 0.00 C ATOM 79 O VAL A 5 75.038 -5.767 -3.895 1.00 0.00 O ATOM 80 CB VAL A 5 73.567 -5.951 -1.360 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.831 -4.657 -1.712 1.00 0.00 C ATOM 82 CG2 VAL A 5 72.936 -6.571 -0.112 1.00 0.00 C ATOM 0 H VAL A 5 75.276 -7.942 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 5 72.415 -7.241 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 5 74.617 -5.730 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 5 72.910 -3.956 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.277 -4.216 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.780 -4.876 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.013 -5.872 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 5 71.886 -6.790 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.458 -7.494 0.140 1.00 0.00 H new ATOM 92 N LYS A 6 73.057 -6.262 -4.827 1.00 0.00 N ATOM 93 CA LYS A 6 73.409 -5.654 -6.107 1.00 0.00 C ATOM 94 C LYS A 6 72.835 -4.246 -6.221 1.00 0.00 C ATOM 95 O LYS A 6 71.642 -4.030 -6.007 1.00 0.00 O ATOM 96 CB LYS A 6 72.884 -6.517 -7.256 1.00 0.00 C ATOM 97 CG LYS A 6 73.494 -7.917 -7.164 1.00 0.00 C ATOM 98 CD LYS A 6 73.428 -8.601 -8.532 1.00 0.00 C ATOM 99 CE LYS A 6 72.007 -8.504 -9.094 1.00 0.00 C ATOM 100 NZ LYS A 6 71.019 -8.804 -8.019 1.00 0.00 N ATOM 0 H LYS A 6 72.122 -6.668 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 6 74.496 -5.589 -6.165 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.797 -6.579 -7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 6 73.138 -6.061 -8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 6 74.529 -7.852 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 6 72.957 -8.510 -6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 6 74.133 -8.131 -9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 6 73.722 -9.647 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 6 71.831 -7.505 -9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 6 71.884 -9.204 -9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 70.068 -8.527 -8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 71.031 -9.823 -7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 71.268 -8.272 -7.161 1.00 0.00 H new ATOM 114 N THR A 7 73.697 -3.293 -6.566 1.00 0.00 N ATOM 115 CA THR A 7 73.275 -1.904 -6.717 1.00 0.00 C ATOM 116 C THR A 7 73.236 -1.523 -8.193 1.00 0.00 C ATOM 117 O THR A 7 73.561 -2.332 -9.061 1.00 0.00 O ATOM 118 CB THR A 7 74.243 -0.977 -5.975 1.00 0.00 C ATOM 119 OG1 THR A 7 75.281 -0.578 -6.858 1.00 0.00 O ATOM 120 CG2 THR A 7 74.843 -1.710 -4.776 1.00 0.00 C ATOM 0 H THR A 7 74.688 -3.456 -6.746 1.00 0.00 H new ATOM 0 HA THR A 7 72.277 -1.796 -6.293 1.00 0.00 H new ATOM 0 HB THR A 7 73.705 -0.097 -5.623 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.151 -0.766 -6.447 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.531 -1.047 -4.251 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.045 -2.014 -4.099 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.382 -2.592 -5.121 1.00 0.00 H new ATOM 128 N LEU A 8 72.840 -0.285 -8.472 1.00 0.00 N ATOM 129 CA LEU A 8 72.768 0.190 -9.850 1.00 0.00 C ATOM 130 C LEU A 8 74.168 0.370 -10.427 1.00 0.00 C ATOM 131 O LEU A 8 74.330 0.661 -11.611 1.00 0.00 O ATOM 132 CB LEU A 8 72.016 1.520 -9.907 1.00 0.00 C ATOM 133 CG LEU A 8 70.540 1.288 -9.582 1.00 0.00 C ATOM 134 CD1 LEU A 8 70.000 2.475 -8.782 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.748 1.149 -10.885 1.00 0.00 C ATOM 0 H LEU A 8 72.566 0.402 -7.770 1.00 0.00 H new ATOM 0 HA LEU A 8 72.235 -0.553 -10.443 1.00 0.00 H new ATOM 0 HB2 LEU A 8 72.449 2.225 -9.197 1.00 0.00 H new ATOM 0 HB3 LEU A 8 72.115 1.964 -10.898 1.00 0.00 H new ATOM 0 HG LEU A 8 70.436 0.377 -8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 8 68.948 2.309 -8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.564 2.576 -7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.103 3.387 -9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 8 68.695 0.984 -10.655 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.852 2.061 -11.473 1.00 0.00 H new ATOM 0 HD23 LEU A 8 70.132 0.303 -11.456 1.00 0.00 H new ATOM 147 N THR A 9 75.178 0.196 -9.580 1.00 0.00 N ATOM 148 CA THR A 9 76.561 0.342 -10.015 1.00 0.00 C ATOM 149 C THR A 9 77.139 -1.009 -10.424 1.00 0.00 C ATOM 150 O THR A 9 78.328 -1.122 -10.719 1.00 0.00 O ATOM 151 CB THR A 9 77.402 0.941 -8.886 1.00 0.00 C ATOM 152 OG1 THR A 9 77.746 -0.082 -7.962 1.00 0.00 O ATOM 153 CG2 THR A 9 76.597 2.028 -8.172 1.00 0.00 C ATOM 0 H THR A 9 75.065 -0.045 -8.595 1.00 0.00 H new ATOM 0 HA THR A 9 76.584 1.009 -10.877 1.00 0.00 H new ATOM 0 HB THR A 9 78.311 1.378 -9.299 1.00 0.00 H new ATOM 0 HG1 THR A 9 78.286 0.299 -7.238 1.00 0.00 H new ATOM 0 HG21 THR A 9 77.196 2.455 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 9 76.333 2.811 -8.883 1.00 0.00 H new ATOM 0 HG23 THR A 9 75.688 1.594 -7.756 1.00 0.00 H new ATOM 161 N GLY A 10 76.289 -2.030 -10.440 1.00 0.00 N ATOM 162 CA GLY A 10 76.724 -3.371 -10.815 1.00 0.00 C ATOM 163 C GLY A 10 77.600 -3.983 -9.726 1.00 0.00 C ATOM 164 O GLY A 10 77.843 -5.189 -9.717 1.00 0.00 O ATOM 0 H GLY A 10 75.301 -1.956 -10.199 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.854 -4.005 -10.987 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.278 -3.329 -11.753 1.00 0.00 H new ATOM 168 N LYS A 11 78.070 -3.143 -8.811 1.00 0.00 N ATOM 169 CA LYS A 11 78.916 -3.613 -7.720 1.00 0.00 C ATOM 170 C LYS A 11 78.093 -4.397 -6.704 1.00 0.00 C ATOM 171 O LYS A 11 77.144 -3.872 -6.121 1.00 0.00 O ATOM 172 CB LYS A 11 79.586 -2.424 -7.028 1.00 0.00 C ATOM 173 CG LYS A 11 80.783 -2.914 -6.212 1.00 0.00 C ATOM 174 CD LYS A 11 80.882 -2.110 -4.914 1.00 0.00 C ATOM 175 CE LYS A 11 82.239 -2.363 -4.258 1.00 0.00 C ATOM 176 NZ LYS A 11 83.315 -1.762 -5.093 1.00 0.00 N ATOM 0 H LYS A 11 77.882 -2.141 -8.802 1.00 0.00 H new ATOM 0 HA LYS A 11 79.681 -4.269 -8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.912 -1.695 -7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.872 -1.919 -6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.673 -3.975 -5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.700 -2.804 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 11 80.760 -1.047 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.079 -2.396 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 11 82.257 -1.931 -3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.407 -3.434 -4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 84.127 -1.519 -4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 83.614 -2.445 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 82.957 -0.902 -5.555 1.00 0.00 H new ATOM 190 N THR A 12 78.460 -5.658 -6.498 1.00 0.00 N ATOM 191 CA THR A 12 77.745 -6.504 -5.549 1.00 0.00 C ATOM 192 C THR A 12 78.406 -6.446 -4.174 1.00 0.00 C ATOM 193 O THR A 12 79.562 -6.838 -4.017 1.00 0.00 O ATOM 194 CB THR A 12 77.728 -7.950 -6.047 1.00 0.00 C ATOM 195 OG1 THR A 12 77.216 -7.986 -7.372 1.00 0.00 O ATOM 196 CG2 THR A 12 76.840 -8.797 -5.131 1.00 0.00 C ATOM 0 H THR A 12 79.241 -6.113 -6.971 1.00 0.00 H new ATOM 0 HA THR A 12 76.722 -6.137 -5.464 1.00 0.00 H new ATOM 0 HB THR A 12 78.742 -8.350 -6.038 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.206 -8.912 -7.694 1.00 0.00 H new ATOM 0 HG21 THR A 12 76.828 -9.827 -5.487 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.233 -8.768 -4.115 1.00 0.00 H new ATOM 0 HG23 THR A 12 75.825 -8.399 -5.139 1.00 0.00 H new ATOM 204 N ILE A 13 77.669 -5.955 -3.182 1.00 0.00 N ATOM 205 CA ILE A 13 78.204 -5.856 -1.828 1.00 0.00 C ATOM 206 C ILE A 13 77.863 -7.103 -1.022 1.00 0.00 C ATOM 207 O ILE A 13 76.690 -7.429 -0.833 1.00 0.00 O ATOM 208 CB ILE A 13 77.634 -4.628 -1.108 1.00 0.00 C ATOM 209 CG1 ILE A 13 76.895 -3.736 -2.113 1.00 0.00 C ATOM 210 CG2 ILE A 13 78.772 -3.837 -0.458 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.538 -2.404 -1.453 1.00 0.00 C ATOM 0 H ILE A 13 76.710 -5.623 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 13 79.287 -5.760 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 13 76.937 -4.956 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.520 -3.563 -2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 13 75.990 -4.235 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.364 -2.965 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.290 -4.470 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.474 -3.512 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.013 -1.772 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 13 75.896 -2.586 -0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.450 -1.903 -1.128 1.00 0.00 H new ATOM 223 N THR A 14 78.891 -7.788 -0.536 1.00 0.00 N ATOM 224 CA THR A 14 78.686 -8.988 0.265 1.00 0.00 C ATOM 225 C THR A 14 78.894 -8.663 1.741 1.00 0.00 C ATOM 226 O THR A 14 79.908 -8.075 2.114 1.00 0.00 O ATOM 227 CB THR A 14 79.668 -10.082 -0.168 1.00 0.00 C ATOM 228 OG1 THR A 14 79.489 -10.353 -1.551 1.00 0.00 O ATOM 229 CG2 THR A 14 79.409 -11.351 0.642 1.00 0.00 C ATOM 0 H THR A 14 79.868 -7.535 -0.681 1.00 0.00 H new ATOM 0 HA THR A 14 77.667 -9.346 0.115 1.00 0.00 H new ATOM 0 HB THR A 14 80.690 -9.746 0.007 1.00 0.00 H new ATOM 0 HG1 THR A 14 78.880 -11.113 -1.659 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.108 -12.129 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.546 -11.140 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.388 -11.691 0.469 1.00 0.00 H new ATOM 237 N LEU A 15 77.926 -9.036 2.575 1.00 0.00 N ATOM 238 CA LEU A 15 78.020 -8.755 4.005 1.00 0.00 C ATOM 239 C LEU A 15 77.492 -9.924 4.831 1.00 0.00 C ATOM 240 O LEU A 15 76.753 -10.772 4.330 1.00 0.00 O ATOM 241 CB LEU A 15 77.204 -7.502 4.368 1.00 0.00 C ATOM 242 CG LEU A 15 77.099 -6.533 3.180 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.095 -5.430 3.521 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.465 -5.900 2.905 1.00 0.00 C ATOM 0 H LEU A 15 77.078 -9.527 2.290 1.00 0.00 H new ATOM 0 HA LEU A 15 79.074 -8.593 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.204 -7.798 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.671 -6.995 5.212 1.00 0.00 H new ATOM 0 HG LEU A 15 76.769 -7.079 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 15 76.015 -4.738 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.120 -5.874 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.434 -4.890 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.385 -5.214 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.797 -5.353 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.187 -6.682 2.669 1.00 0.00 H new ATOM 256 N GLU A 16 77.852 -9.935 6.112 1.00 0.00 N ATOM 257 CA GLU A 16 77.387 -10.972 7.024 1.00 0.00 C ATOM 258 C GLU A 16 76.164 -10.456 7.771 1.00 0.00 C ATOM 259 O GLU A 16 76.202 -9.368 8.348 1.00 0.00 O ATOM 260 CB GLU A 16 78.490 -11.336 8.023 1.00 0.00 C ATOM 261 CG GLU A 16 79.464 -10.163 8.168 1.00 0.00 C ATOM 262 CD GLU A 16 80.384 -10.085 6.952 1.00 0.00 C ATOM 263 OE1 GLU A 16 80.630 -11.119 6.351 1.00 0.00 O ATOM 264 OE2 GLU A 16 80.826 -8.993 6.640 1.00 0.00 O ATOM 0 H GLU A 16 78.463 -9.239 6.539 1.00 0.00 H new ATOM 0 HA GLU A 16 77.127 -11.865 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 16 78.051 -11.579 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 16 79.023 -12.224 7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 16 78.909 -9.231 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 16 80.057 -10.284 9.074 1.00 0.00 H new ATOM 271 N VAL A 17 75.070 -11.212 7.735 1.00 0.00 N ATOM 272 CA VAL A 17 73.845 -10.769 8.393 1.00 0.00 C ATOM 273 C VAL A 17 73.125 -11.910 9.110 1.00 0.00 C ATOM 274 O VAL A 17 73.161 -13.061 8.677 1.00 0.00 O ATOM 275 CB VAL A 17 72.906 -10.159 7.354 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.690 -9.228 6.430 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.262 -11.274 6.526 1.00 0.00 C ATOM 0 H VAL A 17 75.006 -12.116 7.267 1.00 0.00 H new ATOM 0 HA VAL A 17 74.125 -10.030 9.144 1.00 0.00 H new ATOM 0 HB VAL A 17 72.130 -9.590 7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 17 73.015 -8.796 5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 17 74.144 -8.430 7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.471 -9.793 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.592 -10.837 5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 17 73.039 -11.846 6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.695 -11.934 7.183 1.00 0.00 H new ATOM 287 N GLU A 18 72.447 -11.555 10.201 1.00 0.00 N ATOM 288 CA GLU A 18 71.682 -12.519 10.984 1.00 0.00 C ATOM 289 C GLU A 18 70.190 -12.191 10.873 1.00 0.00 C ATOM 290 O GLU A 18 69.825 -11.032 10.728 1.00 0.00 O ATOM 291 CB GLU A 18 72.103 -12.453 12.452 1.00 0.00 C ATOM 292 CG GLU A 18 73.398 -13.244 12.651 1.00 0.00 C ATOM 293 CD GLU A 18 73.069 -14.687 13.019 1.00 0.00 C ATOM 294 OE1 GLU A 18 73.137 -15.532 12.142 1.00 0.00 O ATOM 295 OE2 GLU A 18 72.739 -14.922 14.170 1.00 0.00 O ATOM 0 H GLU A 18 72.413 -10.602 10.562 1.00 0.00 H new ATOM 0 HA GLU A 18 71.872 -13.521 10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 18 72.249 -11.415 12.753 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.315 -12.861 13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 18 73.995 -13.218 11.739 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.998 -12.786 13.437 1.00 0.00 H new ATOM 302 N PRO A 19 69.326 -13.169 10.931 1.00 0.00 N ATOM 303 CA PRO A 19 67.858 -12.955 10.813 1.00 0.00 C ATOM 304 C PRO A 19 67.367 -11.621 11.395 1.00 0.00 C ATOM 305 O PRO A 19 66.484 -10.999 10.821 1.00 0.00 O ATOM 306 CB PRO A 19 67.281 -14.137 11.587 1.00 0.00 C ATOM 307 CG PRO A 19 68.279 -15.242 11.427 1.00 0.00 C ATOM 308 CD PRO A 19 69.637 -14.595 11.122 1.00 0.00 C ATOM 0 HA PRO A 19 67.546 -12.901 9.770 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.138 -13.886 12.638 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.307 -14.427 11.193 1.00 0.00 H new ATOM 0 HG2 PRO A 19 68.335 -15.842 12.335 1.00 0.00 H new ATOM 0 HG3 PRO A 19 67.983 -15.912 10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 19 70.341 -14.742 11.941 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.092 -15.026 10.230 1.00 0.00 H new ATOM 316 N SER A 20 67.918 -11.187 12.531 1.00 0.00 N ATOM 317 CA SER A 20 67.463 -9.928 13.142 1.00 0.00 C ATOM 318 C SER A 20 68.072 -8.716 12.433 1.00 0.00 C ATOM 319 O SER A 20 67.998 -7.584 12.910 1.00 0.00 O ATOM 320 CB SER A 20 67.828 -9.897 14.625 1.00 0.00 C ATOM 321 OG SER A 20 69.204 -10.216 14.779 1.00 0.00 O ATOM 0 H SER A 20 68.660 -11.670 13.038 1.00 0.00 H new ATOM 0 HA SER A 20 66.379 -9.878 13.036 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.623 -8.910 15.041 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.214 -10.609 15.177 1.00 0.00 H new ATOM 0 HG SER A 20 69.440 -10.195 15.730 1.00 0.00 H new ATOM 327 N ASP A 21 68.629 -8.988 11.275 1.00 0.00 N ATOM 328 CA ASP A 21 69.235 -7.987 10.402 1.00 0.00 C ATOM 329 C ASP A 21 68.162 -7.298 9.602 1.00 0.00 C ATOM 330 O ASP A 21 68.212 -7.255 8.373 1.00 0.00 O ATOM 331 CB ASP A 21 70.275 -8.573 9.481 1.00 0.00 C ATOM 332 CG ASP A 21 71.572 -8.796 10.250 1.00 0.00 C ATOM 333 OD1 ASP A 21 72.587 -8.270 9.823 1.00 0.00 O ATOM 334 OD2 ASP A 21 71.530 -9.482 11.257 1.00 0.00 O ATOM 0 H ASP A 21 68.679 -9.934 10.897 1.00 0.00 H new ATOM 0 HA ASP A 21 69.747 -7.266 11.039 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.919 -9.517 9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.450 -7.902 8.640 1.00 0.00 H new ATOM 339 N THR A 22 67.130 -6.885 10.293 1.00 0.00 N ATOM 340 CA THR A 22 65.964 -6.338 9.629 1.00 0.00 C ATOM 341 C THR A 22 66.299 -5.056 8.896 1.00 0.00 C ATOM 342 O THR A 22 67.162 -4.290 9.305 1.00 0.00 O ATOM 343 CB THR A 22 64.922 -5.970 10.687 1.00 0.00 C ATOM 344 OG1 THR A 22 65.022 -4.580 10.971 1.00 0.00 O ATOM 345 CG2 THR A 22 65.189 -6.762 11.962 1.00 0.00 C ATOM 0 H THR A 22 67.069 -6.915 11.311 1.00 0.00 H new ATOM 0 HA THR A 22 65.600 -7.087 8.926 1.00 0.00 H new ATOM 0 HB THR A 22 63.924 -6.204 10.316 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.356 -4.336 11.647 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.446 -6.500 12.716 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.127 -7.829 11.747 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.185 -6.525 12.336 1.00 0.00 H new ATOM 353 N ILE A 23 65.609 -4.889 7.770 1.00 0.00 N ATOM 354 CA ILE A 23 65.791 -3.749 6.882 1.00 0.00 C ATOM 355 C ILE A 23 66.321 -2.531 7.629 1.00 0.00 C ATOM 356 O ILE A 23 67.179 -1.807 7.125 1.00 0.00 O ATOM 357 CB ILE A 23 64.453 -3.420 6.227 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.674 -4.717 5.936 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.674 -2.649 4.926 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.557 -5.738 5.197 1.00 0.00 C ATOM 0 H ILE A 23 64.901 -5.549 7.447 1.00 0.00 H new ATOM 0 HA ILE A 23 66.530 -4.011 6.125 1.00 0.00 H new ATOM 0 HB ILE A 23 63.874 -2.800 6.912 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.318 -5.149 6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.794 -4.489 5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.711 -2.421 4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.203 -1.720 5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.266 -3.255 4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 23 63.982 -6.644 5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.892 -5.312 4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.423 -5.982 5.812 1.00 0.00 H new ATOM 372 N GLU A 24 65.816 -2.315 8.837 1.00 0.00 N ATOM 373 CA GLU A 24 66.263 -1.185 9.641 1.00 0.00 C ATOM 374 C GLU A 24 67.741 -1.350 9.997 1.00 0.00 C ATOM 375 O GLU A 24 68.547 -0.447 9.776 1.00 0.00 O ATOM 376 CB GLU A 24 65.417 -1.091 10.914 1.00 0.00 C ATOM 377 CG GLU A 24 65.813 0.160 11.699 1.00 0.00 C ATOM 378 CD GLU A 24 64.878 0.343 12.890 1.00 0.00 C ATOM 379 OE1 GLU A 24 64.625 1.480 13.249 1.00 0.00 O ATOM 380 OE2 GLU A 24 64.425 -0.657 13.421 1.00 0.00 O ATOM 0 H GLU A 24 65.105 -2.899 9.277 1.00 0.00 H new ATOM 0 HA GLU A 24 66.143 -0.266 9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.358 -1.052 10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.564 -1.980 11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.843 0.072 12.044 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.767 1.036 11.052 1.00 0.00 H new ATOM 387 N ASN A 25 68.087 -2.518 10.529 1.00 0.00 N ATOM 388 CA ASN A 25 69.470 -2.815 10.894 1.00 0.00 C ATOM 389 C ASN A 25 70.323 -2.995 9.641 1.00 0.00 C ATOM 390 O ASN A 25 71.443 -2.493 9.562 1.00 0.00 O ATOM 391 CB ASN A 25 69.525 -4.095 11.733 1.00 0.00 C ATOM 392 CG ASN A 25 70.400 -3.869 12.961 1.00 0.00 C ATOM 393 OD1 ASN A 25 69.959 -3.252 13.931 1.00 0.00 O ATOM 394 ND2 ASN A 25 71.624 -4.322 12.974 1.00 0.00 N ATOM 0 H ASN A 25 67.430 -3.275 10.717 1.00 0.00 H new ATOM 0 HA ASN A 25 69.861 -1.980 11.476 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.520 -4.384 12.039 1.00 0.00 H new ATOM 0 HB3 ASN A 25 69.924 -4.915 11.136 1.00 0.00 H new ATOM 0 HD21 ASN A 25 72.217 -4.165 13.789 1.00 0.00 H new ATOM 0 HD22 ASN A 25 71.987 -4.833 12.169 1.00 0.00 H new ATOM 401 N ALA A 26 69.783 -3.726 8.669 1.00 0.00 N ATOM 402 CA ALA A 26 70.503 -3.978 7.423 1.00 0.00 C ATOM 403 C ALA A 26 70.836 -2.668 6.717 1.00 0.00 C ATOM 404 O ALA A 26 71.930 -2.507 6.173 1.00 0.00 O ATOM 405 CB ALA A 26 69.655 -4.855 6.501 1.00 0.00 C ATOM 0 H ALA A 26 68.857 -4.151 8.718 1.00 0.00 H new ATOM 0 HA ALA A 26 71.434 -4.492 7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.198 -5.039 5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.445 -5.805 6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.717 -4.347 6.278 1.00 0.00 H new ATOM 411 N LYS A 27 69.889 -1.736 6.726 1.00 0.00 N ATOM 412 CA LYS A 27 70.099 -0.445 6.083 1.00 0.00 C ATOM 413 C LYS A 27 71.282 0.278 6.715 1.00 0.00 C ATOM 414 O LYS A 27 71.998 1.024 6.047 1.00 0.00 O ATOM 415 CB LYS A 27 68.842 0.415 6.222 1.00 0.00 C ATOM 416 CG LYS A 27 67.852 0.067 5.108 1.00 0.00 C ATOM 417 CD LYS A 27 66.468 0.611 5.467 1.00 0.00 C ATOM 418 CE LYS A 27 65.694 0.926 4.187 1.00 0.00 C ATOM 419 NZ LYS A 27 66.008 2.315 3.746 1.00 0.00 N ATOM 0 H LYS A 27 68.976 -1.849 7.167 1.00 0.00 H new ATOM 0 HA LYS A 27 70.310 -0.613 5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.382 0.248 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.105 1.472 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.188 0.493 4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.806 -1.014 4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 27 65.922 -0.120 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.566 1.510 6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 27 65.960 0.216 3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.623 0.822 4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 65.191 2.931 3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.833 2.668 4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 66.219 2.317 2.728 1.00 0.00 H new ATOM 433 N ALA A 28 71.478 0.055 8.010 1.00 0.00 N ATOM 434 CA ALA A 28 72.575 0.692 8.732 1.00 0.00 C ATOM 435 C ALA A 28 73.921 0.152 8.256 1.00 0.00 C ATOM 436 O ALA A 28 74.886 0.903 8.118 1.00 0.00 O ATOM 437 CB ALA A 28 72.424 0.440 10.233 1.00 0.00 C ATOM 0 H ALA A 28 70.895 -0.559 8.579 1.00 0.00 H new ATOM 0 HA ALA A 28 72.540 1.764 8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.246 0.918 10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.477 0.855 10.578 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.442 -0.633 10.425 1.00 0.00 H new ATOM 443 N LYS A 29 73.978 -1.152 8.010 1.00 0.00 N ATOM 444 CA LYS A 29 75.215 -1.779 7.553 1.00 0.00 C ATOM 445 C LYS A 29 75.627 -1.231 6.192 1.00 0.00 C ATOM 446 O LYS A 29 76.801 -0.944 5.958 1.00 0.00 O ATOM 447 CB LYS A 29 75.030 -3.295 7.463 1.00 0.00 C ATOM 448 CG LYS A 29 75.395 -3.937 8.803 1.00 0.00 C ATOM 449 CD LYS A 29 74.785 -5.337 8.883 1.00 0.00 C ATOM 450 CE LYS A 29 75.604 -6.197 9.848 1.00 0.00 C ATOM 451 NZ LYS A 29 76.881 -6.600 9.194 1.00 0.00 N ATOM 0 H LYS A 29 73.191 -1.791 8.118 1.00 0.00 H new ATOM 0 HA LYS A 29 76.001 -1.551 8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 29 73.998 -3.531 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.658 -3.702 6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.478 -3.995 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 29 75.028 -3.322 9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.751 -5.276 9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.770 -5.795 7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.811 -5.640 10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.036 -7.081 10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.666 -6.487 9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 76.820 -7.595 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 77.049 -6.000 8.361 1.00 0.00 H new ATOM 465 N ILE A 30 74.658 -1.088 5.294 1.00 0.00 N ATOM 466 CA ILE A 30 74.937 -0.573 3.960 1.00 0.00 C ATOM 467 C ILE A 30 75.346 0.895 4.028 1.00 0.00 C ATOM 468 O ILE A 30 76.211 1.345 3.277 1.00 0.00 O ATOM 469 CB ILE A 30 73.706 -0.731 3.068 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.705 -2.139 2.472 1.00 0.00 C ATOM 471 CG2 ILE A 30 73.745 0.299 1.934 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.293 -2.500 2.021 1.00 0.00 C ATOM 0 H ILE A 30 73.679 -1.320 5.464 1.00 0.00 H new ATOM 0 HA ILE A 30 75.761 -1.145 3.534 1.00 0.00 H new ATOM 0 HB ILE A 30 72.805 -0.573 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.392 -2.188 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.057 -2.858 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 30 72.864 0.179 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 30 73.756 1.304 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.643 0.147 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.292 -3.504 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.618 -2.468 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 30 71.958 -1.787 1.268 1.00 0.00 H new ATOM 484 N GLN A 31 74.715 1.636 4.933 1.00 0.00 N ATOM 485 CA GLN A 31 75.017 3.052 5.090 1.00 0.00 C ATOM 486 C GLN A 31 76.500 3.254 5.387 1.00 0.00 C ATOM 487 O GLN A 31 77.150 4.109 4.791 1.00 0.00 O ATOM 488 CB GLN A 31 74.180 3.638 6.231 1.00 0.00 C ATOM 489 CG GLN A 31 74.854 4.898 6.778 1.00 0.00 C ATOM 490 CD GLN A 31 73.843 5.732 7.558 1.00 0.00 C ATOM 491 OE1 GLN A 31 73.716 6.934 7.324 1.00 0.00 O ATOM 492 NE2 GLN A 31 73.114 5.163 8.476 1.00 0.00 N ATOM 0 H GLN A 31 73.996 1.282 5.564 1.00 0.00 H new ATOM 0 HA GLN A 31 74.773 3.564 4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.179 3.877 5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.067 2.901 7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.688 4.623 7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 31 75.267 5.485 5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 31 73.221 4.167 8.668 1.00 0.00 H new ATOM 0 HE22 GLN A 31 72.436 5.714 9.003 1.00 0.00 H new ATOM 501 N ASP A 32 77.026 2.465 6.316 1.00 0.00 N ATOM 502 CA ASP A 32 78.432 2.571 6.689 1.00 0.00 C ATOM 503 C ASP A 32 79.342 2.151 5.537 1.00 0.00 C ATOM 504 O ASP A 32 80.539 2.443 5.542 1.00 0.00 O ATOM 505 CB ASP A 32 78.714 1.691 7.909 1.00 0.00 C ATOM 506 CG ASP A 32 78.246 2.397 9.177 1.00 0.00 C ATOM 507 OD1 ASP A 32 77.544 3.385 9.055 1.00 0.00 O ATOM 508 OD2 ASP A 32 78.602 1.941 10.251 1.00 0.00 O ATOM 0 H ASP A 32 76.505 1.749 6.822 1.00 0.00 H new ATOM 0 HA ASP A 32 78.640 3.614 6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.202 0.735 7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.781 1.476 7.975 1.00 0.00 H new ATOM 513 N LYS A 33 78.775 1.455 4.555 1.00 0.00 N ATOM 514 CA LYS A 33 79.558 0.995 3.412 1.00 0.00 C ATOM 515 C LYS A 33 79.439 1.953 2.229 1.00 0.00 C ATOM 516 O LYS A 33 80.428 2.245 1.557 1.00 0.00 O ATOM 517 CB LYS A 33 79.084 -0.396 2.983 1.00 0.00 C ATOM 518 CG LYS A 33 79.449 -1.421 4.060 1.00 0.00 C ATOM 519 CD LYS A 33 80.518 -2.371 3.515 1.00 0.00 C ATOM 520 CE LYS A 33 80.908 -3.377 4.599 1.00 0.00 C ATOM 521 NZ LYS A 33 82.329 -3.159 4.991 1.00 0.00 N ATOM 0 H LYS A 33 77.788 1.200 4.527 1.00 0.00 H new ATOM 0 HA LYS A 33 80.603 0.957 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.006 -0.390 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.545 -0.671 2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.818 -0.913 4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.564 -1.984 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.140 -2.895 2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.394 -1.806 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.259 -3.263 5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 33 80.773 -4.394 4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.595 -3.843 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 82.942 -3.289 4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 82.444 -2.193 5.358 1.00 0.00 H new ATOM 535 N GLU A 34 78.225 2.429 1.969 1.00 0.00 N ATOM 536 CA GLU A 34 77.997 3.340 0.848 1.00 0.00 C ATOM 537 C GLU A 34 77.842 4.782 1.324 1.00 0.00 C ATOM 538 O GLU A 34 77.740 5.701 0.512 1.00 0.00 O ATOM 539 CB GLU A 34 76.737 2.917 0.088 1.00 0.00 C ATOM 540 CG GLU A 34 76.843 1.442 -0.298 1.00 0.00 C ATOM 541 CD GLU A 34 77.984 1.242 -1.289 1.00 0.00 C ATOM 542 OE1 GLU A 34 77.725 1.291 -2.480 1.00 0.00 O ATOM 543 OE2 GLU A 34 79.103 1.041 -0.842 1.00 0.00 O ATOM 0 H GLU A 34 77.391 2.203 2.511 1.00 0.00 H new ATOM 0 HA GLU A 34 78.865 3.289 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 34 75.855 3.079 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 34 76.616 3.530 -0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 34 77.013 0.836 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 34 75.905 1.105 -0.738 1.00 0.00 H new ATOM 550 N GLY A 35 77.825 4.978 2.637 1.00 0.00 N ATOM 551 CA GLY A 35 77.680 6.322 3.190 1.00 0.00 C ATOM 552 C GLY A 35 76.303 6.894 2.869 1.00 0.00 C ATOM 553 O GLY A 35 76.068 8.093 3.013 1.00 0.00 O ATOM 0 H GLY A 35 77.908 4.236 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.824 6.293 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.453 6.973 2.783 1.00 0.00 H new ATOM 557 N ILE A 36 75.394 6.026 2.432 1.00 0.00 N ATOM 558 CA ILE A 36 74.042 6.454 2.091 1.00 0.00 C ATOM 559 C ILE A 36 73.128 6.364 3.325 1.00 0.00 C ATOM 560 O ILE A 36 73.100 5.329 3.989 1.00 0.00 O ATOM 561 CB ILE A 36 73.483 5.558 0.981 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.454 5.544 -0.204 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.128 6.096 0.517 1.00 0.00 C ATOM 564 CD1 ILE A 36 74.001 4.492 -1.221 1.00 0.00 C ATOM 0 H ILE A 36 75.568 5.029 2.307 1.00 0.00 H new ATOM 0 HA ILE A 36 74.077 7.488 1.747 1.00 0.00 H new ATOM 0 HB ILE A 36 73.360 4.546 1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.488 6.528 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.463 5.321 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.734 5.456 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.433 6.106 1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.250 7.110 0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.691 4.481 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 36 73.990 3.510 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 36 72.999 4.736 -1.575 1.00 0.00 H new ATOM 576 N PRO A 37 72.383 7.404 3.655 1.00 0.00 N ATOM 577 CA PRO A 37 71.476 7.371 4.841 1.00 0.00 C ATOM 578 C PRO A 37 70.222 6.523 4.582 1.00 0.00 C ATOM 579 O PRO A 37 69.729 6.478 3.456 1.00 0.00 O ATOM 580 CB PRO A 37 71.103 8.839 5.052 1.00 0.00 C ATOM 581 CG PRO A 37 71.226 9.472 3.708 1.00 0.00 C ATOM 582 CD PRO A 37 72.315 8.703 2.960 1.00 0.00 C ATOM 0 HA PRO A 37 71.953 6.918 5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 37 70.089 8.935 5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 37 71.768 9.314 5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 37 70.279 9.425 3.170 1.00 0.00 H new ATOM 0 HG3 PRO A 37 71.489 10.526 3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.063 8.578 1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.270 9.226 2.999 1.00 0.00 H new ATOM 590 N PRO A 38 69.692 5.857 5.587 1.00 0.00 N ATOM 591 CA PRO A 38 68.473 5.011 5.428 1.00 0.00 C ATOM 592 C PRO A 38 67.408 5.674 4.554 1.00 0.00 C ATOM 593 O PRO A 38 66.558 4.995 3.978 1.00 0.00 O ATOM 594 CB PRO A 38 67.959 4.846 6.858 1.00 0.00 C ATOM 595 CG PRO A 38 69.149 5.006 7.744 1.00 0.00 C ATOM 596 CD PRO A 38 70.188 5.829 6.977 1.00 0.00 C ATOM 0 HA PRO A 38 68.701 4.068 4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.198 5.592 7.088 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.498 3.868 6.997 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.872 5.507 8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.557 4.033 8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.277 6.835 7.386 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.176 5.373 7.036 1.00 0.00 H new ATOM 604 N ASP A 39 67.450 7.000 4.474 1.00 0.00 N ATOM 605 CA ASP A 39 66.471 7.741 3.685 1.00 0.00 C ATOM 606 C ASP A 39 66.669 7.514 2.188 1.00 0.00 C ATOM 607 O ASP A 39 65.709 7.557 1.417 1.00 0.00 O ATOM 608 CB ASP A 39 66.584 9.236 3.989 1.00 0.00 C ATOM 609 CG ASP A 39 65.325 9.959 3.525 1.00 0.00 C ATOM 610 OD1 ASP A 39 64.900 9.710 2.408 1.00 0.00 O ATOM 611 OD2 ASP A 39 64.804 10.751 4.291 1.00 0.00 O ATOM 0 H ASP A 39 68.146 7.581 4.942 1.00 0.00 H new ATOM 0 HA ASP A 39 65.480 7.377 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 39 66.727 9.388 5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.458 9.652 3.488 1.00 0.00 H new ATOM 616 N GLN A 40 67.911 7.278 1.778 1.00 0.00 N ATOM 617 CA GLN A 40 68.210 7.058 0.365 1.00 0.00 C ATOM 618 C GLN A 40 68.446 5.580 0.080 1.00 0.00 C ATOM 619 O GLN A 40 68.887 5.212 -1.009 1.00 0.00 O ATOM 620 CB GLN A 40 69.449 7.860 -0.035 1.00 0.00 C ATOM 621 CG GLN A 40 69.023 9.155 -0.725 1.00 0.00 C ATOM 622 CD GLN A 40 70.229 10.067 -0.914 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.826 10.519 0.063 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.628 10.367 -2.120 1.00 0.00 N ATOM 0 H GLN A 40 68.721 7.234 2.396 1.00 0.00 H new ATOM 0 HA GLN A 40 67.352 7.391 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.048 8.087 0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 40 70.076 7.270 -0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 40 68.572 8.930 -1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 40 68.264 9.661 -0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.133 9.992 -2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.435 10.976 -2.253 1.00 0.00 H new ATOM 633 N GLN A 41 68.151 4.735 1.061 1.00 0.00 N ATOM 634 CA GLN A 41 68.337 3.297 0.899 1.00 0.00 C ATOM 635 C GLN A 41 67.004 2.610 0.624 1.00 0.00 C ATOM 636 O GLN A 41 66.039 2.781 1.369 1.00 0.00 O ATOM 637 CB GLN A 41 68.964 2.707 2.162 1.00 0.00 C ATOM 638 CG GLN A 41 70.359 3.297 2.370 1.00 0.00 C ATOM 639 CD GLN A 41 71.062 2.576 3.515 1.00 0.00 C ATOM 640 OE1 GLN A 41 70.450 1.753 4.198 1.00 0.00 O ATOM 641 NE2 GLN A 41 72.318 2.830 3.763 1.00 0.00 N ATOM 0 H GLN A 41 67.785 5.017 1.970 1.00 0.00 H new ATOM 0 HA GLN A 41 69.000 3.130 0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.335 2.922 3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.027 1.622 2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.944 3.202 1.455 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.284 4.362 2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 41 72.822 3.512 3.196 1.00 0.00 H new ATOM 0 HE22 GLN A 41 72.795 2.347 4.524 1.00 0.00 H new ATOM 650 N ARG A 42 66.960 1.828 -0.452 1.00 0.00 N ATOM 651 CA ARG A 42 65.744 1.111 -0.821 1.00 0.00 C ATOM 652 C ARG A 42 66.060 -0.350 -1.124 1.00 0.00 C ATOM 653 O ARG A 42 66.728 -0.657 -2.112 1.00 0.00 O ATOM 654 CB ARG A 42 65.104 1.761 -2.048 1.00 0.00 C ATOM 655 CG ARG A 42 63.621 2.014 -1.780 1.00 0.00 C ATOM 656 CD ARG A 42 62.929 2.403 -3.085 1.00 0.00 C ATOM 657 NE ARG A 42 61.860 3.358 -2.825 1.00 0.00 N ATOM 658 CZ ARG A 42 60.830 3.481 -3.655 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.883 4.343 -3.399 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.763 2.740 -4.727 1.00 0.00 N ATOM 0 H ARG A 42 67.749 1.676 -1.081 1.00 0.00 H new ATOM 0 HA ARG A 42 65.048 1.157 0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.607 2.700 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.222 1.114 -2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.158 1.120 -1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.504 2.808 -1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.654 2.837 -3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.523 1.514 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 42 61.903 3.943 -1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 42 59.934 4.923 -2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 42 59.093 4.437 -4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.502 2.066 -4.928 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.972 2.835 -5.364 1.00 0.00 H new ATOM 674 N LEU A 43 65.579 -1.246 -0.269 1.00 0.00 N ATOM 675 CA LEU A 43 65.821 -2.672 -0.461 1.00 0.00 C ATOM 676 C LEU A 43 64.653 -3.316 -1.197 1.00 0.00 C ATOM 677 O LEU A 43 63.496 -3.143 -0.817 1.00 0.00 O ATOM 678 CB LEU A 43 66.009 -3.360 0.896 1.00 0.00 C ATOM 679 CG LEU A 43 67.441 -3.147 1.403 1.00 0.00 C ATOM 680 CD1 LEU A 43 68.438 -3.928 0.537 1.00 0.00 C ATOM 681 CD2 LEU A 43 67.781 -1.657 1.346 1.00 0.00 C ATOM 0 H LEU A 43 65.025 -1.014 0.555 1.00 0.00 H new ATOM 0 HA LEU A 43 66.726 -2.790 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.297 -2.959 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 43 65.803 -4.426 0.803 1.00 0.00 H new ATOM 0 HG LEU A 43 67.509 -3.506 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 43 69.449 -3.766 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 43 68.202 -4.991 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 43 68.372 -3.582 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 43 68.798 -1.502 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 43 67.702 -1.305 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 43 67.085 -1.101 1.974 1.00 0.00 H new ATOM 693 N ILE A 44 64.968 -4.056 -2.257 1.00 0.00 N ATOM 694 CA ILE A 44 63.942 -4.722 -3.049 1.00 0.00 C ATOM 695 C ILE A 44 64.346 -6.167 -3.334 1.00 0.00 C ATOM 696 O ILE A 44 65.457 -6.431 -3.792 1.00 0.00 O ATOM 697 CB ILE A 44 63.734 -3.962 -4.358 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.481 -2.485 -4.014 1.00 0.00 C ATOM 699 CG2 ILE A 44 62.535 -4.552 -5.119 1.00 0.00 C ATOM 700 CD1 ILE A 44 62.522 -1.854 -5.018 1.00 0.00 C ATOM 0 H ILE A 44 65.922 -4.208 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 44 63.008 -4.731 -2.488 1.00 0.00 H new ATOM 0 HB ILE A 44 64.614 -4.049 -4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 44 63.067 -2.406 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 44 64.425 -1.940 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 44 62.392 -4.006 -6.051 1.00 0.00 H new ATOM 0 HG22 ILE A 44 62.725 -5.603 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 44 61.637 -4.466 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.357 -0.809 -4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 44 62.951 -1.914 -6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 44 61.572 -2.388 -4.998 1.00 0.00 H new ATOM 712 N PHE A 45 63.435 -7.098 -3.061 1.00 0.00 N ATOM 713 CA PHE A 45 63.705 -8.513 -3.293 1.00 0.00 C ATOM 714 C PHE A 45 62.516 -9.180 -3.978 1.00 0.00 C ATOM 715 O PHE A 45 61.364 -8.943 -3.614 1.00 0.00 O ATOM 716 CB PHE A 45 63.990 -9.218 -1.965 1.00 0.00 C ATOM 717 CG PHE A 45 64.292 -10.675 -2.223 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.303 -11.642 -2.006 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.558 -11.059 -2.680 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.581 -12.993 -2.247 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.836 -12.409 -2.920 1.00 0.00 C ATOM 722 CZ PHE A 45 64.846 -13.376 -2.704 1.00 0.00 C ATOM 0 H PHE A 45 62.509 -6.899 -2.681 1.00 0.00 H new ATOM 0 HA PHE A 45 64.578 -8.594 -3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 45 64.834 -8.744 -1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.131 -9.126 -1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.326 -11.346 -1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.321 -10.313 -2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 45 62.818 -13.739 -2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.813 -12.705 -3.272 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.060 -14.418 -2.890 1.00 0.00 H new ATOM 732 N ALA A 46 62.803 -10.017 -4.969 1.00 0.00 N ATOM 733 CA ALA A 46 61.749 -10.716 -5.697 1.00 0.00 C ATOM 734 C ALA A 46 60.813 -9.719 -6.374 1.00 0.00 C ATOM 735 O ALA A 46 59.643 -10.019 -6.615 1.00 0.00 O ATOM 736 CB ALA A 46 60.951 -11.599 -4.738 1.00 0.00 C ATOM 0 H ALA A 46 63.750 -10.227 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 46 62.212 -11.338 -6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.166 -12.118 -5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.616 -12.330 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.501 -10.980 -3.962 1.00 0.00 H new ATOM 742 N GLY A 47 61.334 -8.535 -6.678 1.00 0.00 N ATOM 743 CA GLY A 47 60.533 -7.505 -7.327 1.00 0.00 C ATOM 744 C GLY A 47 59.537 -6.890 -6.351 1.00 0.00 C ATOM 745 O GLY A 47 58.512 -6.344 -6.757 1.00 0.00 O ATOM 0 H GLY A 47 62.299 -8.267 -6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.186 -6.728 -7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.999 -7.935 -8.174 1.00 0.00 H new ATOM 749 N LYS A 48 59.848 -6.985 -5.060 1.00 0.00 N ATOM 750 CA LYS A 48 58.978 -6.438 -4.024 1.00 0.00 C ATOM 751 C LYS A 48 59.761 -5.507 -3.105 1.00 0.00 C ATOM 752 O LYS A 48 60.925 -5.761 -2.795 1.00 0.00 O ATOM 753 CB LYS A 48 58.368 -7.576 -3.200 1.00 0.00 C ATOM 754 CG LYS A 48 57.872 -8.677 -4.139 1.00 0.00 C ATOM 755 CD LYS A 48 57.020 -9.673 -3.350 1.00 0.00 C ATOM 756 CE LYS A 48 55.544 -9.292 -3.472 1.00 0.00 C ATOM 757 NZ LYS A 48 55.009 -9.790 -4.772 1.00 0.00 N ATOM 0 H LYS A 48 60.693 -7.434 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 48 58.182 -5.871 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 48 59.110 -7.978 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 48 57.543 -7.200 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 48 57.286 -8.243 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 48 58.719 -9.189 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 48 57.178 -10.683 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 48 57.321 -9.675 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 48 54.977 -9.720 -2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 48 55.430 -8.210 -3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 54.109 -9.313 -4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 55.693 -9.589 -5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 54.851 -10.816 -4.712 1.00 0.00 H new ATOM 771 N GLN A 49 59.117 -4.427 -2.675 1.00 0.00 N ATOM 772 CA GLN A 49 59.766 -3.463 -1.793 1.00 0.00 C ATOM 773 C GLN A 49 59.649 -3.903 -0.336 1.00 0.00 C ATOM 774 O GLN A 49 58.564 -4.247 0.133 1.00 0.00 O ATOM 775 CB GLN A 49 59.123 -2.086 -1.962 1.00 0.00 C ATOM 776 CG GLN A 49 60.023 -1.021 -1.330 1.00 0.00 C ATOM 777 CD GLN A 49 59.217 0.243 -1.047 1.00 0.00 C ATOM 778 OE1 GLN A 49 58.609 0.809 -1.956 1.00 0.00 O ATOM 779 NE2 GLN A 49 59.177 0.720 0.167 1.00 0.00 N ATOM 0 H GLN A 49 58.154 -4.198 -2.920 1.00 0.00 H new ATOM 0 HA GLN A 49 60.821 -3.409 -2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 49 58.974 -1.870 -3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.140 -2.072 -1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.455 -1.401 -0.404 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.853 -0.791 -1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 49 59.682 0.248 0.917 1.00 0.00 H new ATOM 0 HE22 GLN A 49 58.641 1.565 0.366 1.00 0.00 H new ATOM 788 N LEU A 50 60.773 -3.888 0.376 1.00 0.00 N ATOM 789 CA LEU A 50 60.778 -4.285 1.780 1.00 0.00 C ATOM 790 C LEU A 50 60.556 -3.074 2.682 1.00 0.00 C ATOM 791 O LEU A 50 61.268 -2.074 2.578 1.00 0.00 O ATOM 792 CB LEU A 50 62.114 -4.949 2.136 1.00 0.00 C ATOM 793 CG LEU A 50 62.594 -5.815 0.971 1.00 0.00 C ATOM 794 CD1 LEU A 50 63.854 -6.575 1.386 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.500 -6.818 0.594 1.00 0.00 C ATOM 0 H LEU A 50 61.682 -3.608 0.008 1.00 0.00 H new ATOM 0 HA LEU A 50 59.967 -4.996 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 50 62.859 -4.187 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 50 61.999 -5.560 3.031 1.00 0.00 H new ATOM 0 HG LEU A 50 62.816 -5.178 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.196 -7.193 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.635 -5.864 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.630 -7.211 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.843 -7.435 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.278 -7.454 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.599 -6.280 0.299 1.00 0.00 H new ATOM 807 N GLU A 51 59.569 -3.173 3.566 1.00 0.00 N ATOM 808 CA GLU A 51 59.263 -2.082 4.484 1.00 0.00 C ATOM 809 C GLU A 51 60.090 -2.212 5.757 1.00 0.00 C ATOM 810 O GLU A 51 60.494 -3.312 6.138 1.00 0.00 O ATOM 811 CB GLU A 51 57.776 -2.094 4.836 1.00 0.00 C ATOM 812 CG GLU A 51 56.947 -1.950 3.559 1.00 0.00 C ATOM 813 CD GLU A 51 55.904 -3.059 3.486 1.00 0.00 C ATOM 814 OE1 GLU A 51 54.975 -3.025 4.276 1.00 0.00 O ATOM 815 OE2 GLU A 51 56.048 -3.927 2.642 1.00 0.00 O ATOM 0 H GLU A 51 58.970 -3.993 3.666 1.00 0.00 H new ATOM 0 HA GLU A 51 59.510 -1.140 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.520 -3.023 5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.548 -1.280 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 51 56.457 -0.977 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.598 -1.994 2.686 1.00 0.00 H new ATOM 822 N ASP A 52 60.340 -1.083 6.410 1.00 0.00 N ATOM 823 CA ASP A 52 61.121 -1.086 7.636 1.00 0.00 C ATOM 824 C ASP A 52 60.312 -1.682 8.785 1.00 0.00 C ATOM 825 O ASP A 52 59.287 -1.129 9.185 1.00 0.00 O ATOM 826 CB ASP A 52 61.545 0.339 7.989 1.00 0.00 C ATOM 827 CG ASP A 52 60.898 1.333 7.030 1.00 0.00 C ATOM 828 OD1 ASP A 52 61.070 1.167 5.833 1.00 0.00 O ATOM 829 OD2 ASP A 52 60.233 2.239 7.504 1.00 0.00 O ATOM 0 H ASP A 52 60.016 -0.163 6.113 1.00 0.00 H new ATOM 0 HA ASP A 52 62.009 -1.698 7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.254 0.569 9.014 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.630 0.427 7.938 1.00 0.00 H new ATOM 834 N GLY A 53 60.777 -2.811 9.308 1.00 0.00 N ATOM 835 CA GLY A 53 60.085 -3.472 10.411 1.00 0.00 C ATOM 836 C GLY A 53 60.145 -4.989 10.261 1.00 0.00 C ATOM 837 O GLY A 53 60.224 -5.716 11.251 1.00 0.00 O ATOM 0 H GLY A 53 61.622 -3.285 8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.538 -3.178 11.358 1.00 0.00 H new ATOM 0 HA3 GLY A 53 59.045 -3.146 10.440 1.00 0.00 H new ATOM 841 N ARG A 54 60.111 -5.460 9.018 1.00 0.00 N ATOM 842 CA ARG A 54 60.167 -6.893 8.756 1.00 0.00 C ATOM 843 C ARG A 54 61.613 -7.365 8.796 1.00 0.00 C ATOM 844 O ARG A 54 62.524 -6.598 8.496 1.00 0.00 O ATOM 845 CB ARG A 54 59.568 -7.205 7.385 1.00 0.00 C ATOM 846 CG ARG A 54 58.462 -6.199 7.062 1.00 0.00 C ATOM 847 CD ARG A 54 57.441 -6.185 8.199 1.00 0.00 C ATOM 848 NE ARG A 54 56.109 -5.903 7.677 1.00 0.00 N ATOM 849 CZ ARG A 54 55.697 -4.654 7.483 1.00 0.00 C ATOM 850 NH1 ARG A 54 54.503 -4.427 7.008 1.00 0.00 N ATOM 851 NH2 ARG A 54 56.487 -3.655 7.767 1.00 0.00 N ATOM 0 H ARG A 54 60.046 -4.876 8.184 1.00 0.00 H new ATOM 0 HA ARG A 54 59.591 -7.412 9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.344 -7.164 6.621 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.165 -8.218 7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.888 -5.204 6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 54 57.975 -6.466 6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.443 -7.147 8.711 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.717 -5.431 8.936 1.00 0.00 H new ATOM 0 HE ARG A 54 55.483 -6.677 7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.886 -5.208 6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 54 54.187 -3.469 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 54 57.421 -3.832 8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 54 56.171 -2.697 7.618 1.00 0.00 H new ATOM 865 N THR A 55 61.819 -8.622 9.177 1.00 0.00 N ATOM 866 CA THR A 55 63.170 -9.157 9.260 1.00 0.00 C ATOM 867 C THR A 55 63.510 -10.038 8.073 1.00 0.00 C ATOM 868 O THR A 55 62.630 -10.448 7.315 1.00 0.00 O ATOM 869 CB THR A 55 63.348 -9.922 10.565 1.00 0.00 C ATOM 870 OG1 THR A 55 62.538 -11.089 10.558 1.00 0.00 O ATOM 871 CG2 THR A 55 62.942 -9.011 11.714 1.00 0.00 C ATOM 0 H THR A 55 61.080 -9.278 9.429 1.00 0.00 H new ATOM 0 HA THR A 55 63.861 -8.315 9.240 1.00 0.00 H new ATOM 0 HB THR A 55 64.388 -10.227 10.681 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.659 -11.576 11.400 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.062 -9.541 12.659 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.573 -8.122 11.714 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.900 -8.716 11.594 1.00 0.00 H new ATOM 879 N LEU A 56 64.801 -10.311 7.908 1.00 0.00 N ATOM 880 CA LEU A 56 65.250 -11.131 6.798 1.00 0.00 C ATOM 881 C LEU A 56 64.531 -12.474 6.834 1.00 0.00 C ATOM 882 O LEU A 56 64.215 -13.051 5.794 1.00 0.00 O ATOM 883 CB LEU A 56 66.767 -11.381 6.881 1.00 0.00 C ATOM 884 CG LEU A 56 67.565 -10.108 6.558 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.059 -10.418 6.659 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.261 -9.640 5.136 1.00 0.00 C ATOM 0 H LEU A 56 65.544 -9.979 8.523 1.00 0.00 H new ATOM 0 HA LEU A 56 65.025 -10.604 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.025 -11.730 7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.045 -12.173 6.185 1.00 0.00 H new ATOM 0 HG LEU A 56 67.286 -9.326 7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.633 -9.520 6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.294 -10.752 7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.317 -11.203 5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.833 -8.737 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.537 -10.422 4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.196 -9.426 5.043 1.00 0.00 H new ATOM 898 N SER A 57 64.281 -12.967 8.044 1.00 0.00 N ATOM 899 CA SER A 57 63.601 -14.246 8.213 1.00 0.00 C ATOM 900 C SER A 57 62.126 -14.138 7.826 1.00 0.00 C ATOM 901 O SER A 57 61.535 -15.093 7.322 1.00 0.00 O ATOM 902 CB SER A 57 63.713 -14.708 9.666 1.00 0.00 C ATOM 903 OG SER A 57 62.572 -15.488 10.000 1.00 0.00 O ATOM 0 H SER A 57 64.537 -12.504 8.916 1.00 0.00 H new ATOM 0 HA SER A 57 64.080 -14.973 7.558 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.622 -15.294 9.804 1.00 0.00 H new ATOM 0 HB3 SER A 57 63.785 -13.846 10.329 1.00 0.00 H new ATOM 0 HG SER A 57 62.641 -15.787 10.931 1.00 0.00 H new ATOM 909 N ASP A 58 61.537 -12.971 8.070 1.00 0.00 N ATOM 910 CA ASP A 58 60.128 -12.755 7.748 1.00 0.00 C ATOM 911 C ASP A 58 59.906 -12.752 6.239 1.00 0.00 C ATOM 912 O ASP A 58 58.888 -13.243 5.753 1.00 0.00 O ATOM 913 CB ASP A 58 59.658 -11.421 8.330 1.00 0.00 C ATOM 914 CG ASP A 58 59.825 -11.427 9.846 1.00 0.00 C ATOM 915 OD1 ASP A 58 59.686 -10.371 10.441 1.00 0.00 O ATOM 916 OD2 ASP A 58 60.080 -12.488 10.390 1.00 0.00 O ATOM 0 H ASP A 58 62.007 -12.167 8.486 1.00 0.00 H new ATOM 0 HA ASP A 58 59.553 -13.572 8.185 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.232 -10.603 7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.613 -11.250 8.071 1.00 0.00 H new ATOM 921 N TYR A 59 60.864 -12.201 5.503 1.00 0.00 N ATOM 922 CA TYR A 59 60.754 -12.145 4.050 1.00 0.00 C ATOM 923 C TYR A 59 61.262 -13.445 3.440 1.00 0.00 C ATOM 924 O TYR A 59 61.244 -13.624 2.223 1.00 0.00 O ATOM 925 CB TYR A 59 61.561 -10.966 3.502 1.00 0.00 C ATOM 926 CG TYR A 59 60.648 -9.781 3.284 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.619 -9.857 2.338 1.00 0.00 C ATOM 928 CD2 TYR A 59 60.832 -8.607 4.024 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.774 -8.762 2.134 1.00 0.00 C ATOM 930 CE2 TYR A 59 59.987 -7.510 3.819 1.00 0.00 C ATOM 931 CZ TYR A 59 58.957 -7.588 2.874 1.00 0.00 C ATOM 932 OH TYR A 59 58.125 -6.506 2.671 1.00 0.00 O ATOM 0 H TYR A 59 61.717 -11.791 5.883 1.00 0.00 H new ATOM 0 HA TYR A 59 59.706 -12.009 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.356 -10.701 4.199 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.040 -11.246 2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.478 -10.762 1.766 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.626 -8.548 4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 59 57.979 -8.822 1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.130 -6.604 4.389 1.00 0.00 H new ATOM 0 HH TYR A 59 58.226 -5.872 3.411 1.00 0.00 H new ATOM 942 N ASN A 60 61.708 -14.350 4.302 1.00 0.00 N ATOM 943 CA ASN A 60 62.216 -15.637 3.853 1.00 0.00 C ATOM 944 C ASN A 60 63.588 -15.484 3.206 1.00 0.00 C ATOM 945 O ASN A 60 64.135 -16.443 2.659 1.00 0.00 O ATOM 946 CB ASN A 60 61.243 -16.260 2.849 1.00 0.00 C ATOM 947 CG ASN A 60 61.195 -17.772 3.037 1.00 0.00 C ATOM 948 OD1 ASN A 60 61.459 -18.524 2.099 1.00 0.00 O ATOM 949 ND2 ASN A 60 60.869 -18.266 4.201 1.00 0.00 N ATOM 0 H ASN A 60 61.728 -14.216 5.313 1.00 0.00 H new ATOM 0 HA ASN A 60 62.312 -16.288 4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.248 -15.837 2.985 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.555 -16.022 1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 60 60.833 -19.277 4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 60 60.651 -17.641 4.977 1.00 0.00 H new ATOM 956 N ILE A 61 64.144 -14.280 3.272 1.00 0.00 N ATOM 957 CA ILE A 61 65.454 -14.028 2.687 1.00 0.00 C ATOM 958 C ILE A 61 66.469 -15.026 3.233 1.00 0.00 C ATOM 959 O ILE A 61 66.463 -15.345 4.423 1.00 0.00 O ATOM 960 CB ILE A 61 65.897 -12.594 2.984 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.166 -11.653 2.016 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.411 -12.464 2.776 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.204 -10.214 2.533 1.00 0.00 C ATOM 0 H ILE A 61 63.713 -13.471 3.720 1.00 0.00 H new ATOM 0 HA ILE A 61 65.391 -14.152 1.606 1.00 0.00 H new ATOM 0 HB ILE A 61 65.659 -12.337 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.630 -11.704 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.132 -11.976 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.721 -11.441 2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.931 -13.148 3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.659 -12.711 1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.681 -9.562 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.718 -10.165 3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.240 -9.888 2.627 1.00 0.00 H new ATOM 975 N GLN A 62 67.330 -15.527 2.355 1.00 0.00 N ATOM 976 CA GLN A 62 68.334 -16.502 2.759 1.00 0.00 C ATOM 977 C GLN A 62 69.624 -15.809 3.180 1.00 0.00 C ATOM 978 O GLN A 62 69.706 -14.581 3.202 1.00 0.00 O ATOM 979 CB GLN A 62 68.624 -17.465 1.607 1.00 0.00 C ATOM 980 CG GLN A 62 67.313 -18.086 1.120 1.00 0.00 C ATOM 981 CD GLN A 62 67.582 -19.024 -0.051 1.00 0.00 C ATOM 982 OE1 GLN A 62 68.490 -19.852 0.010 1.00 0.00 O ATOM 983 NE2 GLN A 62 66.842 -18.945 -1.122 1.00 0.00 N ATOM 0 H GLN A 62 67.353 -15.276 1.367 1.00 0.00 H new ATOM 0 HA GLN A 62 67.943 -17.060 3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.113 -16.935 0.790 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.309 -18.246 1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.837 -18.634 1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.620 -17.301 0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 62 66.089 -18.258 -1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 62 67.016 -19.570 -1.909 1.00 0.00 H new ATOM 992 N LYS A 63 70.626 -16.610 3.523 1.00 0.00 N ATOM 993 CA LYS A 63 71.909 -16.071 3.953 1.00 0.00 C ATOM 994 C LYS A 63 72.847 -15.884 2.777 1.00 0.00 C ATOM 995 O LYS A 63 73.934 -15.345 2.932 1.00 0.00 O ATOM 996 CB LYS A 63 72.550 -17.014 4.967 1.00 0.00 C ATOM 997 CG LYS A 63 72.784 -18.381 4.321 1.00 0.00 C ATOM 998 CD LYS A 63 72.510 -19.488 5.343 1.00 0.00 C ATOM 999 CE LYS A 63 71.003 -19.728 5.446 1.00 0.00 C ATOM 1000 NZ LYS A 63 70.628 -20.893 4.594 1.00 0.00 N ATOM 0 H LYS A 63 70.575 -17.629 3.512 1.00 0.00 H new ATOM 0 HA LYS A 63 71.731 -15.098 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.495 -16.599 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.905 -17.119 5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.132 -18.502 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.810 -18.452 3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 63 73.015 -20.406 5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 63 72.911 -19.206 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 63 70.724 -19.917 6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 63 70.459 -18.839 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 69.603 -21.058 4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 70.881 -20.696 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 71.137 -21.739 4.919 1.00 0.00 H new ATOM 1014 N GLU A 64 72.413 -16.326 1.607 1.00 0.00 N ATOM 1015 CA GLU A 64 73.201 -16.200 0.395 1.00 0.00 C ATOM 1016 C GLU A 64 72.388 -15.504 -0.695 1.00 0.00 C ATOM 1017 O GLU A 64 72.909 -15.178 -1.760 1.00 0.00 O ATOM 1018 CB GLU A 64 73.645 -17.581 -0.091 1.00 0.00 C ATOM 1019 CG GLU A 64 75.083 -17.841 0.363 1.00 0.00 C ATOM 1020 CD GLU A 64 75.509 -19.252 -0.024 1.00 0.00 C ATOM 1021 OE1 GLU A 64 75.636 -20.075 0.868 1.00 0.00 O ATOM 1022 OE2 GLU A 64 75.714 -19.487 -1.203 1.00 0.00 O ATOM 0 H GLU A 64 71.509 -16.780 1.473 1.00 0.00 H new ATOM 0 HA GLU A 64 74.084 -15.600 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.982 -18.349 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.580 -17.635 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.754 -17.113 -0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.160 -17.713 1.443 1.00 0.00 H new ATOM 1029 N SER A 65 71.104 -15.301 -0.421 1.00 0.00 N ATOM 1030 CA SER A 65 70.205 -14.664 -1.382 1.00 0.00 C ATOM 1031 C SER A 65 70.782 -13.355 -1.911 1.00 0.00 C ATOM 1032 O SER A 65 71.665 -12.755 -1.296 1.00 0.00 O ATOM 1033 CB SER A 65 68.855 -14.389 -0.722 1.00 0.00 C ATOM 1034 OG SER A 65 68.043 -15.553 -0.808 1.00 0.00 O ATOM 0 H SER A 65 70.660 -15.568 0.458 1.00 0.00 H new ATOM 0 HA SER A 65 70.081 -15.346 -2.223 1.00 0.00 H new ATOM 0 HB2 SER A 65 68.998 -14.108 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.361 -13.550 -1.213 1.00 0.00 H new ATOM 0 HG SER A 65 67.103 -15.305 -0.687 1.00 0.00 H new ATOM 1040 N THR A 66 70.264 -12.918 -3.056 1.00 0.00 N ATOM 1041 CA THR A 66 70.711 -11.674 -3.672 1.00 0.00 C ATOM 1042 C THR A 66 69.666 -10.582 -3.460 1.00 0.00 C ATOM 1043 O THR A 66 68.474 -10.810 -3.667 1.00 0.00 O ATOM 1044 CB THR A 66 70.939 -11.884 -5.171 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.669 -13.086 -5.373 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.727 -10.704 -5.744 1.00 0.00 C ATOM 0 H THR A 66 69.535 -13.407 -3.575 1.00 0.00 H new ATOM 0 HA THR A 66 71.648 -11.368 -3.207 1.00 0.00 H new ATOM 0 HB THR A 66 69.976 -11.952 -5.677 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.814 -13.223 -6.332 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.887 -10.857 -6.811 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.166 -9.782 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.690 -10.630 -5.239 1.00 0.00 H new ATOM 1054 N LEU A 67 70.118 -9.402 -3.043 1.00 0.00 N ATOM 1055 CA LEU A 67 69.211 -8.283 -2.796 1.00 0.00 C ATOM 1056 C LEU A 67 69.484 -7.140 -3.768 1.00 0.00 C ATOM 1057 O LEU A 67 70.629 -6.889 -4.139 1.00 0.00 O ATOM 1058 CB LEU A 67 69.390 -7.777 -1.364 1.00 0.00 C ATOM 1059 CG LEU A 67 68.663 -8.712 -0.396 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.489 -8.870 0.882 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.296 -8.121 -0.047 1.00 0.00 C ATOM 0 H LEU A 67 71.102 -9.196 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 67 68.189 -8.634 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.450 -7.730 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 67 68.996 -6.765 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 67 68.531 -9.687 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 67 68.970 -9.536 1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.464 -9.291 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 67 69.623 -7.895 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 67 66.777 -8.787 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.430 -7.146 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.705 -8.009 -0.956 1.00 0.00 H new ATOM 1073 N HIS A 68 68.425 -6.445 -4.169 1.00 0.00 N ATOM 1074 CA HIS A 68 68.567 -5.324 -5.089 1.00 0.00 C ATOM 1075 C HIS A 68 68.542 -4.007 -4.321 1.00 0.00 C ATOM 1076 O HIS A 68 67.536 -3.661 -3.700 1.00 0.00 O ATOM 1077 CB HIS A 68 67.437 -5.335 -6.116 1.00 0.00 C ATOM 1078 CG HIS A 68 67.477 -6.625 -6.876 1.00 0.00 C ATOM 1079 ND1 HIS A 68 66.727 -7.726 -6.494 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.176 -7.016 -7.992 1.00 0.00 C ATOM 1081 CE1 HIS A 68 66.988 -8.717 -7.367 1.00 0.00 C ATOM 1082 NE2 HIS A 68 67.866 -8.337 -8.300 1.00 0.00 N ATOM 0 H HIS A 68 67.467 -6.636 -3.874 1.00 0.00 H new ATOM 0 HA HIS A 68 69.522 -5.421 -5.606 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.474 -5.222 -5.617 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.542 -4.493 -6.800 1.00 0.00 H new ATOM 0 HD1 HIS A 68 66.093 -7.776 -5.697 1.00 0.00 H new ATOM 0 HD2 HIS A 68 68.862 -6.393 -8.546 1.00 0.00 H new ATOM 0 HE1 HIS A 68 66.542 -9.699 -7.319 1.00 0.00 H new ATOM 1090 N LEU A 69 69.652 -3.280 -4.358 1.00 0.00 N ATOM 1091 CA LEU A 69 69.741 -2.007 -3.653 1.00 0.00 C ATOM 1092 C LEU A 69 69.487 -0.846 -4.610 1.00 0.00 C ATOM 1093 O LEU A 69 70.297 -0.571 -5.495 1.00 0.00 O ATOM 1094 CB LEU A 69 71.126 -1.872 -3.013 1.00 0.00 C ATOM 1095 CG LEU A 69 71.340 -0.447 -2.486 1.00 0.00 C ATOM 1096 CD1 LEU A 69 70.150 -0.027 -1.620 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.616 -0.409 -1.640 1.00 0.00 C ATOM 0 H LEU A 69 70.496 -3.547 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 69 68.980 -1.980 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.226 -2.587 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 69 71.896 -2.114 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 69 71.431 0.238 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.309 0.986 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.238 -0.056 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.054 -0.711 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 69 72.773 0.602 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 69 72.517 -1.098 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 69 73.468 -0.704 -2.253 1.00 0.00 H new ATOM 1109 N VAL A 70 68.359 -0.168 -4.417 1.00 0.00 N ATOM 1110 CA VAL A 70 67.997 0.968 -5.259 1.00 0.00 C ATOM 1111 C VAL A 70 68.019 2.260 -4.448 1.00 0.00 C ATOM 1112 O VAL A 70 67.684 2.265 -3.264 1.00 0.00 O ATOM 1113 CB VAL A 70 66.603 0.757 -5.851 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.444 1.611 -7.108 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.423 -0.719 -6.211 1.00 0.00 C ATOM 0 H VAL A 70 67.681 -0.385 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 70 68.724 1.046 -6.067 1.00 0.00 H new ATOM 0 HB VAL A 70 65.850 1.049 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.450 1.459 -7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.573 2.663 -6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 70 67.196 1.322 -7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.430 -0.872 -6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.177 -1.010 -6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.534 -1.328 -5.314 1.00 0.00 H new ATOM 1125 N LEU A 71 68.416 3.352 -5.092 1.00 0.00 N ATOM 1126 CA LEU A 71 68.478 4.643 -4.416 1.00 0.00 C ATOM 1127 C LEU A 71 67.252 5.484 -4.753 1.00 0.00 C ATOM 1128 O LEU A 71 67.040 5.857 -5.907 1.00 0.00 O ATOM 1129 CB LEU A 71 69.744 5.393 -4.837 1.00 0.00 C ATOM 1130 CG LEU A 71 70.929 4.426 -4.855 1.00 0.00 C ATOM 1131 CD1 LEU A 71 72.211 5.194 -5.183 1.00 0.00 C ATOM 1132 CD2 LEU A 71 71.068 3.766 -3.482 1.00 0.00 C ATOM 0 H LEU A 71 68.697 3.370 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 71 68.500 4.467 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.606 5.834 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.941 6.213 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 71 70.761 3.660 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 71 73.055 4.504 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.113 5.665 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 71 72.380 5.960 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.912 3.077 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 71 71.236 4.532 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 71 70.155 3.218 -3.248 1.00 0.00 H new