USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 66 THR OG1 : rot 96:sc= 1.23 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.923 K(o=2.1,f=-2.7) USER MOD Set 2.1: A 60 ASN : amide:sc= 0.642 K(o=1.4,f=-0.99) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.741 K(o=1.4,f=-0.55) USER MOD Set 3.1: A 55 THR OG1 : rot -37:sc= 1.22 USER MOD Set 3.2: A 57 SER OG : rot -83:sc= 0.495 USER MOD Set 4.1: A 25 ASN : amide:sc= -0.182 K(o=2,f=0.85) USER MOD Set 4.2: A 29 LYS NZ :NH3+ -179:sc= 2.17 (180deg=2.12) USER MOD Set 5.1: A 7 THR OG1 : rot 122:sc= 1.49 USER MOD Set 5.2: A 9 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.05 (180deg=1.95) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.14) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.43 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.325 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.64 (180deg=1.24) USER MOD Single : A 31 GLN : amide:sc= -0.667 X(o=-0.67,f=-0.83) 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=-0.44) USER MOD Single : A 41 GLN : amide:sc= 1.02 K(o=1,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.113 K(o=0.11,f=-1.7) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.391 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.615 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.799 51.958 19.755 1.00 0.00 N ATOM 2 CA MET A 1 33.180 52.210 21.153 1.00 0.00 C ATOM 3 C MET A 1 34.685 52.461 21.270 1.00 0.00 C ATOM 4 O MET A 1 35.455 51.941 20.465 1.00 0.00 O ATOM 5 CB MET A 1 32.725 51.115 22.114 1.00 0.00 C ATOM 6 CG MET A 1 33.476 49.791 22.001 1.00 0.00 C ATOM 7 SD MET A 1 32.932 48.552 23.203 1.00 0.00 S ATOM 8 CE MET A 1 34.169 47.260 22.924 1.00 0.00 C ATOM 0 H1 MET A 1 31.762 51.959 19.672 1.00 0.00 H new ATOM 0 H2 MET A 1 33.195 52.703 19.147 1.00 0.00 H new ATOM 0 H3 MET A 1 33.169 51.034 19.455 1.00 0.00 H new ATOM 0 HA MET A 1 32.649 53.112 21.457 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.827 51.485 23.134 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.664 50.927 21.948 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.346 49.392 20.995 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.542 49.974 22.136 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.975 46.420 23.591 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.115 46.922 21.889 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.163 47.659 23.124 1.00 0.00 H new ATOM 20 N GLN A 2 35.115 53.207 22.283 1.00 0.00 N ATOM 21 CA GLN A 2 36.514 53.474 22.549 1.00 0.00 C ATOM 22 C GLN A 2 37.091 52.547 23.620 1.00 0.00 C ATOM 23 O GLN A 2 36.433 52.260 24.617 1.00 0.00 O ATOM 24 CB GLN A 2 36.739 54.952 22.859 1.00 0.00 C ATOM 25 CG GLN A 2 36.216 55.435 24.208 1.00 0.00 C ATOM 26 CD GLN A 2 36.333 56.952 24.365 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.334 57.575 24.016 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.306 57.611 24.894 1.00 0.00 N ATOM 0 H GLN A 2 34.484 53.649 22.952 1.00 0.00 H new ATOM 0 HA GLN A 2 37.071 53.249 21.640 1.00 0.00 H new ATOM 0 HB2 GLN A 2 37.809 55.155 22.812 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.267 55.544 22.075 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.173 55.140 24.318 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.772 54.945 25.008 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.471 57.104 25.187 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.353 58.624 25.007 1.00 0.00 H new ATOM 37 N ILE A 3 38.341 52.132 23.436 1.00 0.00 N ATOM 38 CA ILE A 3 39.136 51.436 24.428 1.00 0.00 C ATOM 39 C ILE A 3 40.529 52.063 24.506 1.00 0.00 C ATOM 40 O ILE A 3 40.969 52.705 23.554 1.00 0.00 O ATOM 41 CB ILE A 3 39.206 49.929 24.197 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.917 49.551 22.901 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.814 49.309 24.292 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.201 48.058 22.763 1.00 0.00 C ATOM 0 H ILE A 3 38.841 52.279 22.559 1.00 0.00 H new ATOM 0 HA ILE A 3 38.636 51.555 25.389 1.00 0.00 H new ATOM 0 HB ILE A 3 39.822 49.511 24.993 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.308 49.874 22.057 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.859 50.097 22.842 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.882 48.234 24.125 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.399 49.497 25.282 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.166 49.753 23.537 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.708 47.870 21.816 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.836 47.731 23.586 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.262 47.505 22.788 1.00 0.00 H new ATOM 56 N PHE A 4 41.231 51.860 25.618 1.00 0.00 N ATOM 57 CA PHE A 4 42.527 52.458 25.866 1.00 0.00 C ATOM 58 C PHE A 4 43.609 51.390 26.045 1.00 0.00 C ATOM 59 O PHE A 4 43.368 50.355 26.663 1.00 0.00 O ATOM 60 CB PHE A 4 42.454 53.392 27.070 1.00 0.00 C ATOM 61 CG PHE A 4 41.292 54.356 27.108 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.930 55.088 25.971 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.569 54.541 28.293 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.839 55.965 25.999 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.497 55.441 28.337 1.00 0.00 C ATOM 66 CZ PHE A 4 39.126 56.152 27.190 1.00 0.00 C ATOM 0 H PHE A 4 40.905 51.265 26.380 1.00 0.00 H new ATOM 0 HA PHE A 4 42.807 53.049 24.994 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.420 52.782 27.973 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.377 53.970 27.110 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.500 54.975 25.060 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.840 53.986 29.179 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.548 56.496 25.105 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.955 55.587 29.259 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.295 56.841 27.223 1.00 0.00 H new ATOM 76 N VAL A 5 44.816 51.632 25.544 1.00 0.00 N ATOM 77 CA VAL A 5 45.974 50.782 25.728 1.00 0.00 C ATOM 78 C VAL A 5 47.046 51.566 26.489 1.00 0.00 C ATOM 79 O VAL A 5 47.332 52.708 26.137 1.00 0.00 O ATOM 80 CB VAL A 5 46.516 50.239 24.409 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.600 49.192 24.648 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.428 49.587 23.561 1.00 0.00 C ATOM 0 H VAL A 5 45.016 52.457 24.979 1.00 0.00 H new ATOM 0 HA VAL A 5 45.674 49.910 26.308 1.00 0.00 H new ATOM 0 HB VAL A 5 46.923 51.101 23.880 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.967 48.823 23.690 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.423 49.641 25.204 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.185 48.363 25.221 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.863 49.216 22.633 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.986 48.757 24.112 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.656 50.322 23.332 1.00 0.00 H new ATOM 92 N LYS A 6 47.606 50.969 27.538 1.00 0.00 N ATOM 93 CA LYS A 6 48.443 51.634 28.515 1.00 0.00 C ATOM 94 C LYS A 6 49.788 50.928 28.697 1.00 0.00 C ATOM 95 O LYS A 6 49.822 49.702 28.779 1.00 0.00 O ATOM 96 CB LYS A 6 47.695 51.707 29.844 1.00 0.00 C ATOM 97 CG LYS A 6 46.409 52.523 29.755 1.00 0.00 C ATOM 98 CD LYS A 6 45.647 52.626 31.074 1.00 0.00 C ATOM 99 CE LYS A 6 46.383 53.453 32.124 1.00 0.00 C ATOM 100 NZ LYS A 6 45.527 53.700 33.295 1.00 0.00 N ATOM 0 H LYS A 6 47.481 49.975 27.732 1.00 0.00 H new ATOM 0 HA LYS A 6 48.660 52.639 28.153 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.457 50.697 30.177 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.347 52.146 30.599 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.651 53.527 29.408 1.00 0.00 H new ATOM 0 HG3 LYS A 6 45.758 52.075 29.005 1.00 0.00 H new ATOM 0 HD2 LYS A 6 44.669 53.071 30.889 1.00 0.00 H new ATOM 0 HD3 LYS A 6 45.472 51.624 31.466 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.288 52.931 32.434 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.695 54.403 31.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.050 54.264 33.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 44.675 54.218 32.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 45.250 52.792 33.720 1.00 0.00 H new ATOM 114 N THR A 7 50.875 51.683 28.825 1.00 0.00 N ATOM 115 CA THR A 7 52.146 51.189 29.316 1.00 0.00 C ATOM 116 C THR A 7 52.305 51.434 30.817 1.00 0.00 C ATOM 117 O THR A 7 51.773 52.402 31.355 1.00 0.00 O ATOM 118 CB THR A 7 53.348 51.786 28.589 1.00 0.00 C ATOM 119 OG1 THR A 7 53.516 53.151 28.900 1.00 0.00 O ATOM 120 CG2 THR A 7 53.273 51.650 27.071 1.00 0.00 C ATOM 0 H THR A 7 50.892 52.674 28.584 1.00 0.00 H new ATOM 0 HA THR A 7 52.129 50.118 29.116 1.00 0.00 H new ATOM 0 HB THR A 7 54.201 51.206 28.943 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.407 53.292 29.283 1.00 0.00 H new ATOM 0 HG21 THR A 7 54.160 52.096 26.621 1.00 0.00 H new ATOM 0 HG22 THR A 7 53.222 50.595 26.802 1.00 0.00 H new ATOM 0 HG23 THR A 7 52.384 52.162 26.703 1.00 0.00 H new ATOM 128 N LEU A 8 53.110 50.617 31.491 1.00 0.00 N ATOM 129 CA LEU A 8 53.494 50.852 32.869 1.00 0.00 C ATOM 130 C LEU A 8 54.286 52.148 33.047 1.00 0.00 C ATOM 131 O LEU A 8 54.162 52.778 34.096 1.00 0.00 O ATOM 132 CB LEU A 8 54.236 49.636 33.414 1.00 0.00 C ATOM 133 CG LEU A 8 53.392 48.371 33.544 1.00 0.00 C ATOM 134 CD1 LEU A 8 54.275 47.149 33.784 1.00 0.00 C ATOM 135 CD2 LEU A 8 52.396 48.460 34.696 1.00 0.00 C ATOM 0 H LEU A 8 53.513 49.771 31.089 1.00 0.00 H new ATOM 0 HA LEU A 8 52.585 50.990 33.455 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.084 49.424 32.762 1.00 0.00 H new ATOM 0 HB3 LEU A 8 54.642 49.886 34.394 1.00 0.00 H new ATOM 0 HG LEU A 8 52.848 48.273 32.604 1.00 0.00 H new ATOM 0 HD11 LEU A 8 53.650 46.260 33.873 1.00 0.00 H new ATOM 0 HD12 LEU A 8 54.962 47.027 32.947 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.844 47.286 34.704 1.00 0.00 H new ATOM 0 HD21 LEU A 8 51.818 47.537 34.749 1.00 0.00 H new ATOM 0 HD22 LEU A 8 52.935 48.605 35.632 1.00 0.00 H new ATOM 0 HD23 LEU A 8 51.723 49.301 34.531 1.00 0.00 H new ATOM 147 N THR A 9 54.997 52.622 32.028 1.00 0.00 N ATOM 148 CA THR A 9 55.603 53.936 31.944 1.00 0.00 C ATOM 149 C THR A 9 54.627 55.102 31.772 1.00 0.00 C ATOM 150 O THR A 9 55.061 56.252 31.749 1.00 0.00 O ATOM 151 CB THR A 9 56.652 54.014 30.839 1.00 0.00 C ATOM 152 OG1 THR A 9 56.128 53.545 29.617 1.00 0.00 O ATOM 153 CG2 THR A 9 57.919 53.230 31.169 1.00 0.00 C ATOM 0 H THR A 9 55.172 52.062 31.193 1.00 0.00 H new ATOM 0 HA THR A 9 56.066 54.054 32.924 1.00 0.00 H new ATOM 0 HB THR A 9 56.921 55.067 30.752 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.816 53.605 28.922 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.629 53.322 30.347 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.366 53.628 32.080 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.669 52.179 31.316 1.00 0.00 H new ATOM 161 N GLY A 10 53.321 54.864 31.673 1.00 0.00 N ATOM 162 CA GLY A 10 52.301 55.892 31.701 1.00 0.00 C ATOM 163 C GLY A 10 51.843 56.431 30.345 1.00 0.00 C ATOM 164 O GLY A 10 51.029 57.353 30.315 1.00 0.00 O ATOM 0 H GLY A 10 52.940 53.924 31.569 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.430 55.495 32.223 1.00 0.00 H new ATOM 0 HA3 GLY A 10 52.674 56.728 32.293 1.00 0.00 H new ATOM 168 N LYS A 11 52.322 55.889 29.228 1.00 0.00 N ATOM 169 CA LYS A 11 51.857 56.249 27.905 1.00 0.00 C ATOM 170 C LYS A 11 50.460 55.673 27.667 1.00 0.00 C ATOM 171 O LYS A 11 50.208 54.537 28.063 1.00 0.00 O ATOM 172 CB LYS A 11 52.861 55.805 26.844 1.00 0.00 C ATOM 173 CG LYS A 11 52.632 56.495 25.503 1.00 0.00 C ATOM 174 CD LYS A 11 53.633 56.027 24.450 1.00 0.00 C ATOM 175 CE LYS A 11 53.445 56.791 23.142 1.00 0.00 C ATOM 176 NZ LYS A 11 54.333 56.280 22.087 1.00 0.00 N ATOM 0 H LYS A 11 53.054 55.178 29.224 1.00 0.00 H new ATOM 0 HA LYS A 11 51.779 57.334 27.830 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.872 56.019 27.192 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.791 54.725 26.711 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.618 56.292 25.157 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.715 57.574 25.630 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.649 56.172 24.818 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.508 54.959 24.273 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.408 56.709 22.817 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.645 57.850 23.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.254 56.884 21.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.316 56.287 22.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.058 55.307 21.843 1.00 0.00 H new ATOM 190 N THR A 12 49.567 56.425 27.028 1.00 0.00 N ATOM 191 CA THR A 12 48.207 56.018 26.731 1.00 0.00 C ATOM 192 C THR A 12 47.910 56.172 25.239 1.00 0.00 C ATOM 193 O THR A 12 48.239 57.199 24.646 1.00 0.00 O ATOM 194 CB THR A 12 47.188 56.807 27.549 1.00 0.00 C ATOM 195 OG1 THR A 12 47.484 56.769 28.927 1.00 0.00 O ATOM 196 CG2 THR A 12 45.768 56.266 27.411 1.00 0.00 C ATOM 0 H THR A 12 49.783 57.364 26.694 1.00 0.00 H new ATOM 0 HA THR A 12 48.118 54.967 27.006 1.00 0.00 H new ATOM 0 HB THR A 12 47.248 57.821 27.153 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.813 57.285 29.420 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.089 56.868 28.015 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.461 56.312 26.366 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.738 55.231 27.753 1.00 0.00 H new ATOM 204 N ILE A 13 47.274 55.168 24.641 1.00 0.00 N ATOM 205 CA ILE A 13 46.791 55.140 23.275 1.00 0.00 C ATOM 206 C ILE A 13 45.277 54.916 23.293 1.00 0.00 C ATOM 207 O ILE A 13 44.812 54.027 24.003 1.00 0.00 O ATOM 208 CB ILE A 13 47.474 54.035 22.475 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.991 53.933 22.615 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.093 54.117 21.000 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.802 55.125 22.116 1.00 0.00 C ATOM 0 H ILE A 13 47.072 54.299 25.135 1.00 0.00 H new ATOM 0 HA ILE A 13 47.023 56.091 22.795 1.00 0.00 H new ATOM 0 HB ILE A 13 47.093 53.119 22.927 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.227 53.777 23.668 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.324 53.045 22.078 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.592 53.319 20.450 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.013 54.008 20.897 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.401 55.082 20.598 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.864 54.933 22.270 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.611 55.276 21.054 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.512 56.019 22.668 1.00 0.00 H new ATOM 223 N THR A 14 44.505 55.646 22.493 1.00 0.00 N ATOM 224 CA THR A 14 43.071 55.483 22.369 1.00 0.00 C ATOM 225 C THR A 14 42.696 54.883 21.012 1.00 0.00 C ATOM 226 O THR A 14 43.148 55.372 19.979 1.00 0.00 O ATOM 227 CB THR A 14 42.345 56.805 22.598 1.00 0.00 C ATOM 228 OG1 THR A 14 42.539 57.221 23.931 1.00 0.00 O ATOM 229 CG2 THR A 14 40.835 56.719 22.399 1.00 0.00 C ATOM 0 H THR A 14 44.877 56.387 21.899 1.00 0.00 H new ATOM 0 HA THR A 14 42.751 54.785 23.143 1.00 0.00 H new ATOM 0 HB THR A 14 42.760 57.497 21.865 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.984 56.676 24.528 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.388 57.697 22.579 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.620 56.404 21.378 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.417 55.995 23.098 1.00 0.00 H new ATOM 237 N LEU A 15 41.873 53.837 21.016 1.00 0.00 N ATOM 238 CA LEU A 15 41.417 53.114 19.846 1.00 0.00 C ATOM 239 C LEU A 15 39.918 53.287 19.600 1.00 0.00 C ATOM 240 O LEU A 15 39.186 53.759 20.468 1.00 0.00 O ATOM 241 CB LEU A 15 41.762 51.634 19.990 1.00 0.00 C ATOM 242 CG LEU A 15 43.217 51.288 20.296 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.354 49.773 20.406 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.194 51.783 19.233 1.00 0.00 C ATOM 0 H LEU A 15 41.491 53.457 21.882 1.00 0.00 H new ATOM 0 HA LEU A 15 41.931 53.532 18.980 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.141 51.217 20.783 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.481 51.129 19.066 1.00 0.00 H new ATOM 0 HG LEU A 15 43.470 51.789 21.230 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.391 49.516 20.625 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.713 49.407 21.208 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.057 49.311 19.464 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.209 51.503 19.514 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.946 51.332 18.272 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.126 52.868 19.153 1.00 0.00 H new ATOM 256 N GLU A 16 39.441 52.854 18.437 1.00 0.00 N ATOM 257 CA GLU A 16 38.037 52.743 18.095 1.00 0.00 C ATOM 258 C GLU A 16 37.715 51.333 17.597 1.00 0.00 C ATOM 259 O GLU A 16 38.340 50.833 16.664 1.00 0.00 O ATOM 260 CB GLU A 16 37.701 53.824 17.074 1.00 0.00 C ATOM 261 CG GLU A 16 36.244 53.860 16.623 1.00 0.00 C ATOM 262 CD GLU A 16 35.265 54.116 17.771 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.520 55.004 18.612 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.200 53.461 17.796 1.00 0.00 O ATOM 0 H GLU A 16 40.054 52.559 17.677 1.00 0.00 H new ATOM 0 HA GLU A 16 37.414 52.901 18.975 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.958 54.795 17.498 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.333 53.682 16.197 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.122 54.638 15.870 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.994 52.913 16.145 1.00 0.00 H new ATOM 271 N VAL A 17 36.782 50.657 18.263 1.00 0.00 N ATOM 272 CA VAL A 17 36.514 49.237 18.167 1.00 0.00 C ATOM 273 C VAL A 17 35.026 48.919 18.325 1.00 0.00 C ATOM 274 O VAL A 17 34.213 49.797 18.602 1.00 0.00 O ATOM 275 CB VAL A 17 37.327 48.463 19.201 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.834 48.648 19.051 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.943 48.816 20.635 1.00 0.00 C ATOM 0 H VAL A 17 36.158 51.121 18.923 1.00 0.00 H new ATOM 0 HA VAL A 17 36.815 48.924 17.167 1.00 0.00 H new ATOM 0 HB VAL A 17 37.080 47.420 19.002 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.350 48.070 19.818 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.147 48.303 18.065 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.084 49.703 19.162 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.553 48.236 21.328 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.112 49.879 20.806 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.890 48.585 20.797 1.00 0.00 H new ATOM 287 N GLU A 18 34.662 47.644 18.209 1.00 0.00 N ATOM 288 CA GLU A 18 33.332 47.118 18.440 1.00 0.00 C ATOM 289 C GLU A 18 33.400 45.838 19.274 1.00 0.00 C ATOM 290 O GLU A 18 34.411 45.142 19.207 1.00 0.00 O ATOM 291 CB GLU A 18 32.666 46.811 17.101 1.00 0.00 C ATOM 292 CG GLU A 18 32.439 47.995 16.167 1.00 0.00 C ATOM 293 CD GLU A 18 31.444 49.044 16.668 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.603 50.236 16.328 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.461 48.699 17.359 1.00 0.00 O ATOM 0 H GLU A 18 35.325 46.918 17.937 1.00 0.00 H new ATOM 0 HA GLU A 18 32.751 47.864 18.982 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.276 46.075 16.577 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.702 46.343 17.299 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.397 48.484 15.988 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.089 47.617 15.206 1.00 0.00 H new ATOM 302 N PRO A 19 32.376 45.439 20.022 1.00 0.00 N ATOM 303 CA PRO A 19 32.372 44.207 20.787 1.00 0.00 C ATOM 304 C PRO A 19 32.641 42.918 20.009 1.00 0.00 C ATOM 305 O PRO A 19 33.183 41.963 20.559 1.00 0.00 O ATOM 306 CB PRO A 19 30.988 44.144 21.425 1.00 0.00 C ATOM 307 CG PRO A 19 30.632 45.616 21.617 1.00 0.00 C ATOM 308 CD PRO A 19 31.213 46.239 20.352 1.00 0.00 C ATOM 0 HA PRO A 19 33.203 44.246 21.491 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.270 43.635 20.782 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.004 43.606 22.373 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.556 45.771 21.693 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.078 46.031 22.521 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.486 46.227 19.540 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.488 47.280 20.519 1.00 0.00 H new ATOM 316 N SER A 20 32.267 42.881 18.733 1.00 0.00 N ATOM 317 CA SER A 20 32.510 41.795 17.807 1.00 0.00 C ATOM 318 C SER A 20 33.813 41.917 17.016 1.00 0.00 C ATOM 319 O SER A 20 34.094 41.075 16.165 1.00 0.00 O ATOM 320 CB SER A 20 31.309 41.642 16.878 1.00 0.00 C ATOM 321 OG SER A 20 30.848 42.883 16.392 1.00 0.00 O ATOM 0 H SER A 20 31.759 43.653 18.301 1.00 0.00 H new ATOM 0 HA SER A 20 32.637 40.894 18.407 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.581 41.003 16.038 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.501 41.140 17.411 1.00 0.00 H new ATOM 0 HG SER A 20 30.080 42.738 15.801 1.00 0.00 H new ATOM 327 N ASP A 21 34.626 42.938 17.275 1.00 0.00 N ATOM 328 CA ASP A 21 35.894 43.146 16.606 1.00 0.00 C ATOM 329 C ASP A 21 36.926 42.088 17.001 1.00 0.00 C ATOM 330 O ASP A 21 36.995 41.686 18.161 1.00 0.00 O ATOM 331 CB ASP A 21 36.402 44.558 16.882 1.00 0.00 C ATOM 332 CG ASP A 21 37.409 45.050 15.840 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.268 44.658 14.662 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.247 45.921 16.158 1.00 0.00 O ATOM 0 H ASP A 21 34.412 43.654 17.970 1.00 0.00 H new ATOM 0 HA ASP A 21 35.736 43.038 15.533 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.555 45.243 16.911 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.867 44.584 17.868 1.00 0.00 H new ATOM 339 N THR A 22 37.727 41.625 16.045 1.00 0.00 N ATOM 340 CA THR A 22 38.716 40.590 16.265 1.00 0.00 C ATOM 341 C THR A 22 39.938 41.131 17.012 1.00 0.00 C ATOM 342 O THR A 22 40.346 42.274 16.817 1.00 0.00 O ATOM 343 CB THR A 22 39.182 39.918 14.978 1.00 0.00 C ATOM 344 OG1 THR A 22 39.782 40.860 14.117 1.00 0.00 O ATOM 345 CG2 THR A 22 38.051 39.229 14.221 1.00 0.00 C ATOM 0 H THR A 22 37.702 41.967 15.084 1.00 0.00 H new ATOM 0 HA THR A 22 38.212 39.839 16.873 1.00 0.00 H new ATOM 0 HB THR A 22 39.901 39.158 15.282 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.077 40.412 13.297 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.446 38.770 13.315 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.606 38.460 14.853 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.292 39.964 13.954 1.00 0.00 H new ATOM 353 N ILE A 23 40.590 40.282 17.800 1.00 0.00 N ATOM 354 CA ILE A 23 41.843 40.633 18.437 1.00 0.00 C ATOM 355 C ILE A 23 42.934 40.891 17.397 1.00 0.00 C ATOM 356 O ILE A 23 43.769 41.768 17.603 1.00 0.00 O ATOM 357 CB ILE A 23 42.213 39.584 19.483 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.186 39.420 20.600 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.580 39.867 20.098 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.755 40.695 21.321 1.00 0.00 C ATOM 0 H ILE A 23 40.263 39.339 18.011 1.00 0.00 H new ATOM 0 HA ILE A 23 41.730 41.574 18.975 1.00 0.00 H new ATOM 0 HB ILE A 23 42.236 38.645 18.931 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.298 38.948 20.180 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.593 38.731 21.340 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.812 39.101 20.838 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.340 39.858 19.316 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.567 40.845 20.580 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.024 40.448 22.091 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.624 41.164 21.782 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.308 41.385 20.605 1.00 0.00 H new ATOM 372 N GLU A 24 42.905 40.227 16.243 1.00 0.00 N ATOM 373 CA GLU A 24 43.739 40.556 15.105 1.00 0.00 C ATOM 374 C GLU A 24 43.556 41.996 14.622 1.00 0.00 C ATOM 375 O GLU A 24 44.556 42.684 14.429 1.00 0.00 O ATOM 376 CB GLU A 24 43.485 39.548 13.988 1.00 0.00 C ATOM 377 CG GLU A 24 44.227 39.842 12.687 1.00 0.00 C ATOM 378 CD GLU A 24 44.012 38.726 11.663 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.965 38.723 10.981 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.876 37.832 11.537 1.00 0.00 O ATOM 0 H GLU A 24 42.288 39.432 16.077 1.00 0.00 H new ATOM 0 HA GLU A 24 44.780 40.491 15.422 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.772 38.557 14.339 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.415 39.516 13.782 1.00 0.00 H new ATOM 0 HG2 GLU A 24 43.881 40.790 12.274 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.292 39.953 12.890 1.00 0.00 H new ATOM 387 N ASN A 25 42.330 42.486 14.467 1.00 0.00 N ATOM 388 CA ASN A 25 42.090 43.853 14.053 1.00 0.00 C ATOM 389 C ASN A 25 42.471 44.855 15.143 1.00 0.00 C ATOM 390 O ASN A 25 43.098 45.870 14.845 1.00 0.00 O ATOM 391 CB ASN A 25 40.641 44.015 13.602 1.00 0.00 C ATOM 392 CG ASN A 25 40.366 45.354 12.913 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.216 45.945 12.250 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.151 45.881 13.038 1.00 0.00 N ATOM 0 H ASN A 25 41.481 41.944 14.626 1.00 0.00 H new ATOM 0 HA ASN A 25 42.736 44.073 13.203 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.388 43.204 12.919 1.00 0.00 H new ATOM 0 HB3 ASN A 25 39.986 43.919 14.468 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.931 46.768 12.586 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.439 45.398 13.586 1.00 0.00 H new ATOM 401 N VAL A 26 42.204 44.560 16.412 1.00 0.00 N ATOM 402 CA VAL A 26 42.641 45.378 17.526 1.00 0.00 C ATOM 403 C VAL A 26 44.167 45.483 17.584 1.00 0.00 C ATOM 404 O VAL A 26 44.691 46.582 17.752 1.00 0.00 O ATOM 405 CB VAL A 26 42.050 44.865 18.836 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.563 45.615 20.062 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.531 45.005 18.822 1.00 0.00 C ATOM 0 H VAL A 26 41.672 43.736 16.693 1.00 0.00 H new ATOM 0 HA VAL A 26 42.266 46.390 17.371 1.00 0.00 H new ATOM 0 HB VAL A 26 42.359 43.822 18.909 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.104 45.201 20.960 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.646 45.509 20.126 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.306 46.671 19.977 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.123 44.635 19.763 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.263 46.054 18.698 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.120 44.426 17.995 1.00 0.00 H new ATOM 417 N LYS A 27 44.898 44.396 17.357 1.00 0.00 N ATOM 418 CA LYS A 27 46.344 44.416 17.249 1.00 0.00 C ATOM 419 C LYS A 27 46.817 45.183 16.013 1.00 0.00 C ATOM 420 O LYS A 27 47.779 45.942 16.113 1.00 0.00 O ATOM 421 CB LYS A 27 46.882 42.990 17.320 1.00 0.00 C ATOM 422 CG LYS A 27 46.747 42.387 18.716 1.00 0.00 C ATOM 423 CD LYS A 27 47.214 40.935 18.787 1.00 0.00 C ATOM 424 CE LYS A 27 47.089 40.396 20.209 1.00 0.00 C ATOM 425 NZ LYS A 27 47.811 39.128 20.392 1.00 0.00 N ATOM 0 H LYS A 27 44.493 43.467 17.242 1.00 0.00 H new ATOM 0 HA LYS A 27 46.757 44.966 18.095 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.347 42.366 16.604 1.00 0.00 H new ATOM 0 HB3 LYS A 27 47.931 42.985 17.025 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.326 42.984 19.421 1.00 0.00 H new ATOM 0 HG3 LYS A 27 45.705 42.443 19.031 1.00 0.00 H new ATOM 0 HD2 LYS A 27 46.620 40.323 18.108 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.250 40.865 18.456 1.00 0.00 H new ATOM 0 HE2 LYS A 27 47.475 41.136 20.910 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.036 40.249 20.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.416 38.618 21.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.710 38.545 19.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.818 39.323 20.561 1.00 0.00 H new ATOM 439 N ALA A 28 46.115 45.102 14.886 1.00 0.00 N ATOM 440 CA ALA A 28 46.404 45.878 13.698 1.00 0.00 C ATOM 441 C ALA A 28 46.143 47.377 13.862 1.00 0.00 C ATOM 442 O ALA A 28 46.846 48.184 13.258 1.00 0.00 O ATOM 443 CB ALA A 28 45.614 45.308 12.523 1.00 0.00 C ATOM 0 H ALA A 28 45.314 44.480 14.778 1.00 0.00 H new ATOM 0 HA ALA A 28 47.474 45.793 13.508 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.827 45.888 11.625 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.902 44.269 12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.548 45.359 12.743 1.00 0.00 H new ATOM 449 N LYS A 29 45.189 47.774 14.699 1.00 0.00 N ATOM 450 CA LYS A 29 44.903 49.150 15.057 1.00 0.00 C ATOM 451 C LYS A 29 46.004 49.767 15.921 1.00 0.00 C ATOM 452 O LYS A 29 46.320 50.942 15.750 1.00 0.00 O ATOM 453 CB LYS A 29 43.550 49.229 15.757 1.00 0.00 C ATOM 454 CG LYS A 29 42.384 49.080 14.784 1.00 0.00 C ATOM 455 CD LYS A 29 41.065 48.854 15.517 1.00 0.00 C ATOM 456 CE LYS A 29 39.950 48.673 14.491 1.00 0.00 C ATOM 457 NZ LYS A 29 38.648 48.404 15.122 1.00 0.00 N ATOM 0 H LYS A 29 44.569 47.111 15.165 1.00 0.00 H new ATOM 0 HA LYS A 29 44.867 49.734 14.137 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.490 48.448 16.515 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.467 50.184 16.276 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.309 49.975 14.166 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.575 48.244 14.112 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.135 47.973 16.155 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.845 49.702 16.166 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.875 49.571 13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.204 47.850 13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.926 48.272 14.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.714 47.543 15.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.382 49.208 15.726 1.00 0.00 H new ATOM 471 N ILE A 30 46.622 48.986 16.803 1.00 0.00 N ATOM 472 CA ILE A 30 47.796 49.399 17.546 1.00 0.00 C ATOM 473 C ILE A 30 49.010 49.481 16.619 1.00 0.00 C ATOM 474 O ILE A 30 49.767 50.445 16.707 1.00 0.00 O ATOM 475 CB ILE A 30 48.048 48.490 18.746 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.851 48.465 19.693 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.289 48.947 19.509 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.928 47.351 20.734 1.00 0.00 C ATOM 0 H ILE A 30 46.313 48.038 17.020 1.00 0.00 H new ATOM 0 HA ILE A 30 47.617 50.397 17.947 1.00 0.00 H new ATOM 0 HB ILE A 30 48.205 47.482 18.363 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.780 49.426 20.203 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.938 48.346 19.110 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.455 48.289 20.362 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.156 48.911 18.849 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.144 49.968 19.862 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.047 47.390 21.374 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.968 46.385 20.231 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.824 47.482 21.341 1.00 0.00 H new ATOM 490 N GLN A 31 49.169 48.552 15.680 1.00 0.00 N ATOM 491 CA GLN A 31 50.194 48.623 14.658 1.00 0.00 C ATOM 492 C GLN A 31 50.084 49.891 13.810 1.00 0.00 C ATOM 493 O GLN A 31 51.096 50.545 13.568 1.00 0.00 O ATOM 494 CB GLN A 31 50.138 47.358 13.806 1.00 0.00 C ATOM 495 CG GLN A 31 51.346 47.233 12.882 1.00 0.00 C ATOM 496 CD GLN A 31 51.302 45.987 11.994 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.294 45.303 11.833 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.413 45.671 11.336 1.00 0.00 N ATOM 0 H GLN A 31 48.580 47.722 15.612 1.00 0.00 H new ATOM 0 HA GLN A 31 51.168 48.681 15.144 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.088 46.485 14.457 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.225 47.363 13.210 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.405 48.119 12.250 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.254 47.210 13.484 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.256 46.231 11.461 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.422 44.869 10.706 1.00 0.00 H new ATOM 507 N ASP A 32 48.880 50.302 13.422 1.00 0.00 N ATOM 508 CA ASP A 32 48.647 51.544 12.714 1.00 0.00 C ATOM 509 C ASP A 32 49.164 52.767 13.476 1.00 0.00 C ATOM 510 O ASP A 32 49.778 53.644 12.873 1.00 0.00 O ATOM 511 CB ASP A 32 47.154 51.668 12.417 1.00 0.00 C ATOM 512 CG ASP A 32 46.829 52.800 11.441 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.791 52.554 10.216 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.583 53.939 11.893 1.00 0.00 O ATOM 0 H ASP A 32 48.029 49.768 13.597 1.00 0.00 H new ATOM 0 HA ASP A 32 49.211 51.517 11.782 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.792 50.726 12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.617 51.835 13.350 1.00 0.00 H new ATOM 519 N LYS A 33 48.954 52.817 14.788 1.00 0.00 N ATOM 520 CA LYS A 33 49.384 53.892 15.658 1.00 0.00 C ATOM 521 C LYS A 33 50.882 53.877 15.970 1.00 0.00 C ATOM 522 O LYS A 33 51.529 54.912 15.833 1.00 0.00 O ATOM 523 CB LYS A 33 48.568 53.876 16.947 1.00 0.00 C ATOM 524 CG LYS A 33 47.079 54.164 16.778 1.00 0.00 C ATOM 525 CD LYS A 33 46.649 55.568 17.192 1.00 0.00 C ATOM 526 CE LYS A 33 47.139 56.677 16.267 1.00 0.00 C ATOM 527 NZ LYS A 33 46.251 56.894 15.114 1.00 0.00 N ATOM 0 H LYS A 33 48.460 52.078 15.288 1.00 0.00 H new ATOM 0 HA LYS A 33 49.205 54.819 15.113 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.682 52.899 17.418 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.988 54.611 17.633 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.810 54.010 15.733 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.514 53.439 17.363 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.560 55.603 17.236 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.015 55.764 18.200 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.224 57.604 16.833 1.00 0.00 H new ATOM 0 HE3 LYS A 33 48.138 56.429 15.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 46.633 57.658 14.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.188 56.019 14.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.303 57.158 15.451 1.00 0.00 H new ATOM 541 N GLU A 34 51.429 52.742 16.400 1.00 0.00 N ATOM 542 CA GLU A 34 52.738 52.630 17.011 1.00 0.00 C ATOM 543 C GLU A 34 53.777 51.861 16.192 1.00 0.00 C ATOM 544 O GLU A 34 54.967 51.977 16.475 1.00 0.00 O ATOM 545 CB GLU A 34 52.595 52.009 18.398 1.00 0.00 C ATOM 546 CG GLU A 34 51.959 52.921 19.443 1.00 0.00 C ATOM 547 CD GLU A 34 52.942 53.976 19.952 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.527 53.808 21.045 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.175 54.987 19.255 1.00 0.00 O ATOM 0 H GLU A 34 50.949 51.845 16.326 1.00 0.00 H new ATOM 0 HA GLU A 34 53.127 53.647 17.070 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.997 51.102 18.315 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.582 51.709 18.750 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.088 53.414 19.012 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.604 52.321 20.281 1.00 0.00 H new ATOM 556 N GLY A 35 53.387 51.087 15.183 1.00 0.00 N ATOM 557 CA GLY A 35 54.319 50.441 14.280 1.00 0.00 C ATOM 558 C GLY A 35 55.094 49.247 14.842 1.00 0.00 C ATOM 559 O GLY A 35 56.164 48.931 14.328 1.00 0.00 O ATOM 0 H GLY A 35 52.408 50.893 14.972 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.767 50.107 13.401 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.038 51.186 13.941 1.00 0.00 H new ATOM 563 N ILE A 36 54.611 48.582 15.888 1.00 0.00 N ATOM 564 CA ILE A 36 55.188 47.354 16.398 1.00 0.00 C ATOM 565 C ILE A 36 54.498 46.162 15.733 1.00 0.00 C ATOM 566 O ILE A 36 53.272 46.118 15.776 1.00 0.00 O ATOM 567 CB ILE A 36 55.158 47.324 17.924 1.00 0.00 C ATOM 568 CG1 ILE A 36 56.284 48.129 18.567 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.273 45.910 18.486 1.00 0.00 C ATOM 570 CD1 ILE A 36 56.274 49.630 18.294 1.00 0.00 C ATOM 0 H ILE A 36 53.792 48.892 16.411 1.00 0.00 H new ATOM 0 HA ILE A 36 56.245 47.295 16.139 1.00 0.00 H new ATOM 0 HB ILE A 36 54.191 47.765 18.168 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.243 47.976 19.645 1.00 0.00 H new ATOM 0 HG13 ILE A 36 57.236 47.724 18.223 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.246 45.948 19.575 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.441 45.306 18.123 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.214 45.465 18.161 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.118 50.098 18.800 1.00 0.00 H new ATOM 0 HD12 ILE A 36 56.352 49.805 17.221 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.344 50.061 18.665 1.00 0.00 H new ATOM 582 N PRO A 37 55.217 45.208 15.146 1.00 0.00 N ATOM 583 CA PRO A 37 54.656 44.096 14.406 1.00 0.00 C ATOM 584 C PRO A 37 53.642 43.234 15.162 1.00 0.00 C ATOM 585 O PRO A 37 53.764 43.074 16.374 1.00 0.00 O ATOM 586 CB PRO A 37 55.838 43.237 13.970 1.00 0.00 C ATOM 587 CG PRO A 37 56.969 44.251 13.832 1.00 0.00 C ATOM 588 CD PRO A 37 56.654 45.221 14.967 1.00 0.00 C ATOM 0 HA PRO A 37 54.080 44.509 13.578 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.072 42.469 14.707 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.639 42.725 13.029 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.949 43.789 13.948 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.962 44.743 12.859 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.160 44.919 15.884 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.004 46.225 14.725 1.00 0.00 H new ATOM 596 N PRO A 38 52.680 42.616 14.485 1.00 0.00 N ATOM 597 CA PRO A 38 51.558 41.954 15.122 1.00 0.00 C ATOM 598 C PRO A 38 51.938 40.758 15.997 1.00 0.00 C ATOM 599 O PRO A 38 51.271 40.541 17.007 1.00 0.00 O ATOM 600 CB PRO A 38 50.604 41.559 14.000 1.00 0.00 C ATOM 601 CG PRO A 38 51.499 41.475 12.767 1.00 0.00 C ATOM 602 CD PRO A 38 52.509 42.585 13.046 1.00 0.00 C ATOM 0 HA PRO A 38 51.093 42.640 15.830 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.118 40.605 14.206 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.813 42.298 13.870 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.977 40.500 12.673 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.944 41.648 11.845 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.456 42.386 12.545 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.147 43.544 12.675 1.00 0.00 H new ATOM 610 N ASP A 39 53.013 40.028 15.712 1.00 0.00 N ATOM 611 CA ASP A 39 53.455 38.955 16.582 1.00 0.00 C ATOM 612 C ASP A 39 54.024 39.446 17.914 1.00 0.00 C ATOM 613 O ASP A 39 54.029 38.687 18.880 1.00 0.00 O ATOM 614 CB ASP A 39 54.404 37.998 15.867 1.00 0.00 C ATOM 615 CG ASP A 39 55.858 38.472 15.838 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.254 39.145 14.862 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.617 38.142 16.776 1.00 0.00 O ATOM 0 H ASP A 39 53.591 40.164 14.883 1.00 0.00 H new ATOM 0 HA ASP A 39 52.558 38.391 16.839 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.359 37.025 16.356 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.058 37.856 14.843 1.00 0.00 H new ATOM 622 N GLN A 40 54.436 40.708 18.006 1.00 0.00 N ATOM 623 CA GLN A 40 54.908 41.332 19.224 1.00 0.00 C ATOM 624 C GLN A 40 53.789 41.996 20.028 1.00 0.00 C ATOM 625 O GLN A 40 54.027 42.474 21.136 1.00 0.00 O ATOM 626 CB GLN A 40 55.978 42.368 18.891 1.00 0.00 C ATOM 627 CG GLN A 40 57.183 41.810 18.140 1.00 0.00 C ATOM 628 CD GLN A 40 58.247 42.879 17.882 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.448 43.813 18.657 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.961 42.792 16.763 1.00 0.00 N ATOM 0 H GLN A 40 54.448 41.339 17.205 1.00 0.00 H new ATOM 0 HA GLN A 40 55.323 40.538 19.845 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.527 43.159 18.292 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.323 42.827 19.818 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.622 40.994 18.715 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.854 41.390 17.190 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.801 42.021 16.115 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.668 43.496 16.553 1.00 0.00 H new ATOM 639 N GLN A 41 52.565 42.053 19.511 1.00 0.00 N ATOM 640 CA GLN A 41 51.446 42.693 20.176 1.00 0.00 C ATOM 641 C GLN A 41 50.870 41.786 21.265 1.00 0.00 C ATOM 642 O GLN A 41 49.789 41.224 21.111 1.00 0.00 O ATOM 643 CB GLN A 41 50.406 43.138 19.153 1.00 0.00 C ATOM 644 CG GLN A 41 50.856 44.263 18.225 1.00 0.00 C ATOM 645 CD GLN A 41 51.072 45.605 18.927 1.00 0.00 C ATOM 646 OE1 GLN A 41 50.639 45.841 20.053 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.772 46.544 18.296 1.00 0.00 N ATOM 0 H GLN A 41 52.324 41.649 18.606 1.00 0.00 H new ATOM 0 HA GLN A 41 51.794 43.593 20.682 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.124 42.278 18.546 1.00 0.00 H new ATOM 0 HB3 GLN A 41 49.511 43.461 19.684 1.00 0.00 H new ATOM 0 HG2 GLN A 41 51.785 43.967 17.737 1.00 0.00 H new ATOM 0 HG3 GLN A 41 50.111 44.392 17.440 1.00 0.00 H new ATOM 0 HE21 GLN A 41 52.139 46.365 17.361 1.00 0.00 H new ATOM 0 HE22 GLN A 41 51.942 47.443 18.747 1.00 0.00 H new ATOM 656 N ARG A 42 51.565 41.666 22.394 1.00 0.00 N ATOM 657 CA ARG A 42 51.024 41.074 23.601 1.00 0.00 C ATOM 658 C ARG A 42 50.122 42.097 24.293 1.00 0.00 C ATOM 659 O ARG A 42 50.544 43.239 24.460 1.00 0.00 O ATOM 660 CB ARG A 42 52.131 40.583 24.531 1.00 0.00 C ATOM 661 CG ARG A 42 51.686 39.514 25.525 1.00 0.00 C ATOM 662 CD ARG A 42 51.466 38.139 24.902 1.00 0.00 C ATOM 663 NE ARG A 42 52.284 37.112 25.551 1.00 0.00 N ATOM 664 CZ ARG A 42 53.473 36.652 25.141 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.035 36.984 23.971 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.195 35.834 25.920 1.00 0.00 N ATOM 0 H ARG A 42 52.530 41.983 22.491 1.00 0.00 H new ATOM 0 HA ARG A 42 50.434 40.197 23.336 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.947 40.185 23.928 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.529 41.434 25.084 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.436 39.429 26.311 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.760 39.838 26.001 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.413 37.868 24.980 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.707 38.178 23.840 1.00 0.00 H new ATOM 0 HE ARG A 42 51.908 36.704 26.407 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.553 37.621 23.336 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.945 36.600 23.715 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.840 35.556 26.835 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.099 35.490 25.598 1.00 0.00 H new ATOM 680 N LEU A 43 48.914 41.695 24.677 1.00 0.00 N ATOM 681 CA LEU A 43 47.913 42.523 25.318 1.00 0.00 C ATOM 682 C LEU A 43 47.238 41.755 26.456 1.00 0.00 C ATOM 683 O LEU A 43 46.934 40.575 26.303 1.00 0.00 O ATOM 684 CB LEU A 43 46.856 42.948 24.303 1.00 0.00 C ATOM 685 CG LEU A 43 47.341 43.768 23.112 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.191 43.931 22.121 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.832 45.153 23.525 1.00 0.00 C ATOM 0 H LEU A 43 48.597 40.735 24.540 1.00 0.00 H new ATOM 0 HA LEU A 43 48.406 43.407 25.723 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.369 42.050 23.922 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.094 43.526 24.827 1.00 0.00 H new ATOM 0 HG LEU A 43 48.179 43.235 22.662 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.528 44.516 21.265 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.861 42.949 21.782 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.361 44.444 22.607 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.167 45.698 22.643 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.019 45.700 24.003 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.661 45.051 24.225 1.00 0.00 H new ATOM 699 N ILE A 44 46.994 42.431 27.575 1.00 0.00 N ATOM 700 CA ILE A 44 46.521 41.864 28.823 1.00 0.00 C ATOM 701 C ILE A 44 45.262 42.595 29.292 1.00 0.00 C ATOM 702 O ILE A 44 45.223 43.823 29.294 1.00 0.00 O ATOM 703 CB ILE A 44 47.610 41.882 29.891 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.945 41.322 29.410 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.144 41.116 31.125 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.115 41.543 30.363 1.00 0.00 C ATOM 0 H ILE A 44 47.129 43.440 27.633 1.00 0.00 H new ATOM 0 HA ILE A 44 46.264 40.819 28.650 1.00 0.00 H new ATOM 0 HB ILE A 44 47.782 42.930 30.137 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.833 40.252 29.238 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.188 41.775 28.449 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.928 41.134 31.882 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.243 41.582 31.524 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.927 40.083 30.852 1.00 0.00 H new ATOM 0 HD11 ILE A 44 51.019 41.111 29.935 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.262 42.612 30.517 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.901 41.064 31.319 1.00 0.00 H new ATOM 718 N PHE A 45 44.246 41.847 29.711 1.00 0.00 N ATOM 719 CA PHE A 45 43.038 42.335 30.345 1.00 0.00 C ATOM 720 C PHE A 45 42.598 41.359 31.438 1.00 0.00 C ATOM 721 O PHE A 45 42.469 40.169 31.162 1.00 0.00 O ATOM 722 CB PHE A 45 41.948 42.493 29.289 1.00 0.00 C ATOM 723 CG PHE A 45 40.703 43.181 29.797 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.687 44.578 29.905 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.573 42.446 30.174 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.560 45.240 30.406 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.433 43.110 30.642 1.00 0.00 C ATOM 728 CZ PHE A 45 38.423 44.505 30.763 1.00 0.00 C ATOM 0 H PHE A 45 44.249 40.832 29.610 1.00 0.00 H new ATOM 0 HA PHE A 45 43.225 43.304 30.807 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.348 43.060 28.449 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.678 41.508 28.909 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.551 45.149 29.599 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.581 41.368 30.104 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.567 46.314 30.517 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.555 42.542 30.912 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.543 45.012 31.130 1.00 0.00 H new ATOM 738 N ALA A 46 42.370 41.812 32.668 1.00 0.00 N ATOM 739 CA ALA A 46 42.020 40.978 33.799 1.00 0.00 C ATOM 740 C ALA A 46 42.937 39.775 34.025 1.00 0.00 C ATOM 741 O ALA A 46 42.479 38.685 34.364 1.00 0.00 O ATOM 742 CB ALA A 46 40.538 40.626 33.717 1.00 0.00 C ATOM 0 H ALA A 46 42.427 42.802 32.906 1.00 0.00 H new ATOM 0 HA ALA A 46 42.192 41.560 34.705 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.266 39.998 34.565 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.945 41.540 33.738 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.343 40.088 32.789 1.00 0.00 H new ATOM 748 N GLY A 47 44.236 39.933 33.787 1.00 0.00 N ATOM 749 CA GLY A 47 45.225 38.876 33.816 1.00 0.00 C ATOM 750 C GLY A 47 45.156 37.866 32.670 1.00 0.00 C ATOM 751 O GLY A 47 45.965 36.941 32.627 1.00 0.00 O ATOM 0 H GLY A 47 44.638 40.842 33.560 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.215 39.331 33.814 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.124 38.336 34.757 1.00 0.00 H new ATOM 755 N LYS A 48 44.221 38.012 31.735 1.00 0.00 N ATOM 756 CA LYS A 48 44.057 37.201 30.546 1.00 0.00 C ATOM 757 C LYS A 48 44.850 37.817 29.392 1.00 0.00 C ATOM 758 O LYS A 48 44.812 39.034 29.221 1.00 0.00 O ATOM 759 CB LYS A 48 42.584 37.103 30.160 1.00 0.00 C ATOM 760 CG LYS A 48 41.626 36.720 31.285 1.00 0.00 C ATOM 761 CD LYS A 48 40.182 36.785 30.795 1.00 0.00 C ATOM 762 CE LYS A 48 39.187 36.416 31.892 1.00 0.00 C ATOM 763 NZ LYS A 48 37.804 36.693 31.475 1.00 0.00 N ATOM 0 H LYS A 48 43.517 38.747 31.797 1.00 0.00 H new ATOM 0 HA LYS A 48 44.430 36.198 30.754 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.270 38.064 29.753 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.486 36.370 29.359 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.853 35.714 31.638 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.761 37.393 32.132 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.967 37.791 30.434 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.056 36.109 29.949 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.290 35.359 32.139 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.416 36.978 32.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.151 36.432 32.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.702 37.706 31.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.580 36.137 30.625 1.00 0.00 H new ATOM 777 N GLN A 49 45.528 37.012 28.578 1.00 0.00 N ATOM 778 CA GLN A 49 46.213 37.470 27.387 1.00 0.00 C ATOM 779 C GLN A 49 45.287 37.407 26.170 1.00 0.00 C ATOM 780 O GLN A 49 44.610 36.402 25.966 1.00 0.00 O ATOM 781 CB GLN A 49 47.508 36.695 27.159 1.00 0.00 C ATOM 782 CG GLN A 49 48.533 36.967 28.257 1.00 0.00 C ATOM 783 CD GLN A 49 49.899 36.325 27.999 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.144 35.623 27.021 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.888 36.584 28.848 1.00 0.00 N ATOM 0 H GLN A 49 45.614 36.008 28.736 1.00 0.00 H new ATOM 0 HA GLN A 49 46.490 38.514 27.534 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.291 35.628 27.121 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.930 36.969 26.192 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.662 38.044 28.362 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.142 36.599 29.206 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.716 37.164 29.669 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.819 36.203 28.678 1.00 0.00 H new ATOM 794 N LEU A 50 45.232 38.454 25.352 1.00 0.00 N ATOM 795 CA LEU A 50 44.310 38.537 24.238 1.00 0.00 C ATOM 796 C LEU A 50 44.822 37.772 23.015 1.00 0.00 C ATOM 797 O LEU A 50 45.869 38.097 22.460 1.00 0.00 O ATOM 798 CB LEU A 50 43.965 39.986 23.909 1.00 0.00 C ATOM 799 CG LEU A 50 43.496 40.848 25.079 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.097 42.231 24.572 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.297 40.263 25.821 1.00 0.00 C ATOM 0 H LEU A 50 45.833 39.272 25.450 1.00 0.00 H new ATOM 0 HA LEU A 50 43.384 38.049 24.543 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.844 40.456 23.467 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.185 39.988 23.147 1.00 0.00 H new ATOM 0 HG LEU A 50 44.335 40.895 25.773 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.763 42.843 25.410 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.955 42.705 24.095 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.288 42.134 23.848 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.017 40.926 26.639 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.458 40.161 25.133 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.559 39.284 26.221 1.00 0.00 H new ATOM 813 N GLU A 51 44.060 36.773 22.578 1.00 0.00 N ATOM 814 CA GLU A 51 44.416 35.798 21.567 1.00 0.00 C ATOM 815 C GLU A 51 43.814 36.143 20.203 1.00 0.00 C ATOM 816 O GLU A 51 42.605 36.325 20.086 1.00 0.00 O ATOM 817 CB GLU A 51 43.963 34.436 22.088 1.00 0.00 C ATOM 818 CG GLU A 51 44.405 33.238 21.252 1.00 0.00 C ATOM 819 CD GLU A 51 43.876 31.941 21.867 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.731 31.542 21.564 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.597 31.314 22.673 1.00 0.00 O ATOM 0 H GLU A 51 43.122 36.619 22.947 1.00 0.00 H new ATOM 0 HA GLU A 51 45.493 35.791 21.397 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.341 34.309 23.103 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.875 34.433 22.151 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.037 33.342 20.231 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.493 33.205 21.197 1.00 0.00 H new ATOM 828 N ASP A 52 44.642 36.221 19.166 1.00 0.00 N ATOM 829 CA ASP A 52 44.362 36.845 17.889 1.00 0.00 C ATOM 830 C ASP A 52 43.113 36.353 17.155 1.00 0.00 C ATOM 831 O ASP A 52 42.501 37.124 16.419 1.00 0.00 O ATOM 832 CB ASP A 52 45.581 36.717 16.980 1.00 0.00 C ATOM 833 CG ASP A 52 46.860 37.337 17.549 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.558 38.097 16.843 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.232 37.038 18.703 1.00 0.00 O ATOM 0 H ASP A 52 45.581 35.825 19.203 1.00 0.00 H new ATOM 0 HA ASP A 52 44.143 37.885 18.130 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.761 35.661 16.780 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.357 37.189 16.023 1.00 0.00 H new ATOM 840 N GLY A 53 42.707 35.101 17.349 1.00 0.00 N ATOM 841 CA GLY A 53 41.517 34.524 16.758 1.00 0.00 C ATOM 842 C GLY A 53 40.192 34.903 17.421 1.00 0.00 C ATOM 843 O GLY A 53 39.144 34.719 16.806 1.00 0.00 O ATOM 0 H GLY A 53 43.217 34.445 17.941 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.475 34.821 15.710 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.614 33.439 16.778 1.00 0.00 H new ATOM 847 N ARG A 54 40.209 35.420 18.648 1.00 0.00 N ATOM 848 CA ARG A 54 39.046 35.769 19.438 1.00 0.00 C ATOM 849 C ARG A 54 38.514 37.164 19.102 1.00 0.00 C ATOM 850 O ARG A 54 39.059 37.866 18.253 1.00 0.00 O ATOM 851 CB ARG A 54 39.397 35.635 20.916 1.00 0.00 C ATOM 852 CG ARG A 54 39.977 34.299 21.373 1.00 0.00 C ATOM 853 CD ARG A 54 39.106 33.072 21.114 1.00 0.00 C ATOM 854 NE ARG A 54 37.819 33.122 21.806 1.00 0.00 N ATOM 855 CZ ARG A 54 37.577 32.868 23.099 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.542 32.560 23.975 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.327 32.917 23.584 1.00 0.00 N ATOM 0 H ARG A 54 41.083 35.614 19.137 1.00 0.00 H new ATOM 0 HA ARG A 54 38.236 35.080 19.197 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.113 36.418 21.166 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.495 35.829 21.497 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.936 34.152 20.876 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.178 34.359 22.443 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.931 32.978 20.042 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.646 32.179 21.428 1.00 0.00 H new ATOM 0 HE ARG A 54 37.012 33.380 21.239 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.513 32.510 23.667 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.306 32.375 24.950 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.549 33.149 22.967 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.155 32.722 24.570 1.00 0.00 H new ATOM 871 N THR A 55 37.465 37.595 19.795 1.00 0.00 N ATOM 872 CA THR A 55 36.881 38.919 19.734 1.00 0.00 C ATOM 873 C THR A 55 36.928 39.643 21.081 1.00 0.00 C ATOM 874 O THR A 55 37.189 39.017 22.106 1.00 0.00 O ATOM 875 CB THR A 55 35.450 38.881 19.207 1.00 0.00 C ATOM 876 OG1 THR A 55 34.585 38.196 20.085 1.00 0.00 O ATOM 877 CG2 THR A 55 35.323 38.230 17.832 1.00 0.00 C ATOM 0 H THR A 55 36.975 36.988 20.452 1.00 0.00 H new ATOM 0 HA THR A 55 37.494 39.485 19.033 1.00 0.00 H new ATOM 0 HB THR A 55 35.165 39.930 19.127 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.058 37.435 20.482 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.278 38.238 17.521 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.921 38.786 17.110 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.679 37.201 17.882 1.00 0.00 H new ATOM 885 N LEU A 56 36.682 40.950 21.126 1.00 0.00 N ATOM 886 CA LEU A 56 36.703 41.707 22.360 1.00 0.00 C ATOM 887 C LEU A 56 35.677 41.246 23.399 1.00 0.00 C ATOM 888 O LEU A 56 35.978 41.214 24.590 1.00 0.00 O ATOM 889 CB LEU A 56 36.528 43.193 22.061 1.00 0.00 C ATOM 890 CG LEU A 56 37.749 43.876 21.449 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.419 45.339 21.169 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.961 43.872 22.376 1.00 0.00 C ATOM 0 H LEU A 56 36.463 41.509 20.302 1.00 0.00 H new ATOM 0 HA LEU A 56 37.678 41.524 22.811 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.684 43.315 21.382 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.269 43.707 22.987 1.00 0.00 H new ATOM 0 HG LEU A 56 37.992 43.318 20.545 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.288 45.831 20.732 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.582 45.396 20.474 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.151 45.836 22.101 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.796 44.371 21.885 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.715 44.398 23.298 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.238 42.844 22.608 1.00 0.00 H new ATOM 904 N SER A 57 34.478 40.865 22.969 1.00 0.00 N ATOM 905 CA SER A 57 33.428 40.383 23.844 1.00 0.00 C ATOM 906 C SER A 57 33.756 39.067 24.552 1.00 0.00 C ATOM 907 O SER A 57 33.304 38.861 25.676 1.00 0.00 O ATOM 908 CB SER A 57 32.096 40.294 23.103 1.00 0.00 C ATOM 909 OG SER A 57 32.213 39.569 21.901 1.00 0.00 O ATOM 0 H SER A 57 34.210 40.885 21.985 1.00 0.00 H new ATOM 0 HA SER A 57 33.344 41.125 24.638 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.355 39.817 23.744 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.732 41.299 22.887 1.00 0.00 H new ATOM 0 HG SER A 57 32.547 40.160 21.194 1.00 0.00 H new ATOM 915 N ASP A 58 34.611 38.225 23.980 1.00 0.00 N ATOM 916 CA ASP A 58 35.114 37.019 24.607 1.00 0.00 C ATOM 917 C ASP A 58 35.876 37.261 25.912 1.00 0.00 C ATOM 918 O ASP A 58 36.055 36.332 26.696 1.00 0.00 O ATOM 919 CB ASP A 58 36.029 36.271 23.641 1.00 0.00 C ATOM 920 CG ASP A 58 35.313 35.680 22.425 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.494 34.752 22.601 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.647 36.035 21.273 1.00 0.00 O ATOM 0 H ASP A 58 34.980 38.372 23.041 1.00 0.00 H new ATOM 0 HA ASP A 58 34.231 36.431 24.857 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.806 36.952 23.295 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.528 35.466 24.181 1.00 0.00 H new ATOM 927 N TYR A 59 36.299 38.496 26.166 1.00 0.00 N ATOM 928 CA TYR A 59 37.020 38.934 27.345 1.00 0.00 C ATOM 929 C TYR A 59 36.277 39.969 28.193 1.00 0.00 C ATOM 930 O TYR A 59 36.857 40.459 29.158 1.00 0.00 O ATOM 931 CB TYR A 59 38.397 39.437 26.920 1.00 0.00 C ATOM 932 CG TYR A 59 39.268 38.430 26.209 1.00 0.00 C ATOM 933 CD1 TYR A 59 40.069 37.549 26.946 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.296 38.398 24.809 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.913 36.641 26.294 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.144 37.503 24.147 1.00 0.00 C ATOM 937 CZ TYR A 59 40.951 36.615 24.886 1.00 0.00 C ATOM 938 OH TYR A 59 41.786 35.758 24.228 1.00 0.00 O ATOM 0 H TYR A 59 36.135 39.260 25.511 1.00 0.00 H new ATOM 0 HA TYR A 59 37.119 38.071 28.004 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.263 40.300 26.268 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.926 39.786 27.807 1.00 0.00 H new ATOM 0 HD1 TYR A 59 40.036 37.570 28.025 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.663 39.064 24.241 1.00 0.00 H new ATOM 0 HE1 TYR A 59 41.531 35.965 26.867 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.180 37.493 23.068 1.00 0.00 H new ATOM 0 HH TYR A 59 41.386 34.864 24.206 1.00 0.00 H new ATOM 948 N ASN A 60 35.024 40.300 27.894 1.00 0.00 N ATOM 949 CA ASN A 60 34.246 41.313 28.579 1.00 0.00 C ATOM 950 C ASN A 60 34.932 42.681 28.624 1.00 0.00 C ATOM 951 O ASN A 60 35.051 43.307 29.674 1.00 0.00 O ATOM 952 CB ASN A 60 33.759 40.791 29.927 1.00 0.00 C ATOM 953 CG ASN A 60 32.673 41.650 30.578 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.141 42.605 30.016 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.261 41.308 31.795 1.00 0.00 N ATOM 0 H ASN A 60 34.508 39.849 27.138 1.00 0.00 H new ATOM 0 HA ASN A 60 33.352 41.511 27.987 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.375 39.779 29.795 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.609 40.724 30.606 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.514 41.835 32.248 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.691 40.518 32.276 1.00 0.00 H new ATOM 962 N ILE A 61 35.403 43.140 27.468 1.00 0.00 N ATOM 963 CA ILE A 61 35.975 44.455 27.262 1.00 0.00 C ATOM 964 C ILE A 61 34.863 45.399 26.804 1.00 0.00 C ATOM 965 O ILE A 61 34.069 45.039 25.938 1.00 0.00 O ATOM 966 CB ILE A 61 37.147 44.353 26.290 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.274 43.525 26.899 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.673 45.731 25.896 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.373 43.113 25.925 1.00 0.00 C ATOM 0 H ILE A 61 35.393 42.577 26.617 1.00 0.00 H new ATOM 0 HA ILE A 61 36.386 44.869 28.183 1.00 0.00 H new ATOM 0 HB ILE A 61 36.782 43.859 25.389 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.725 44.095 27.711 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.845 42.625 27.341 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.507 45.618 25.203 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.877 46.301 25.416 1.00 0.00 H new ATOM 0 HG23 ILE A 61 38.011 46.260 26.787 1.00 0.00 H new ATOM 0 HD11 ILE A 61 40.127 42.529 26.453 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.943 42.511 25.124 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.836 44.004 25.501 1.00 0.00 H new ATOM 981 N GLN A 62 34.790 46.595 27.382 1.00 0.00 N ATOM 982 CA GLN A 62 33.710 47.549 27.226 1.00 0.00 C ATOM 983 C GLN A 62 34.229 48.956 26.924 1.00 0.00 C ATOM 984 O GLN A 62 35.434 49.198 26.904 1.00 0.00 O ATOM 985 CB GLN A 62 32.865 47.565 28.497 1.00 0.00 C ATOM 986 CG GLN A 62 32.371 46.216 29.013 1.00 0.00 C ATOM 987 CD GLN A 62 31.502 46.332 30.267 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.044 47.403 30.661 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.240 45.237 30.974 1.00 0.00 N ATOM 0 H GLN A 62 35.524 46.937 28.003 1.00 0.00 H new ATOM 0 HA GLN A 62 33.103 47.238 26.376 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.449 48.038 29.287 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.997 48.199 28.319 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.800 45.721 28.228 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.230 45.581 29.231 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.607 44.335 30.671 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.672 45.299 31.819 1.00 0.00 H new ATOM 998 N LYS A 63 33.334 49.921 26.733 1.00 0.00 N ATOM 999 CA LYS A 63 33.648 51.333 26.646 1.00 0.00 C ATOM 1000 C LYS A 63 34.583 51.819 27.755 1.00 0.00 C ATOM 1001 O LYS A 63 34.303 51.643 28.938 1.00 0.00 O ATOM 1002 CB LYS A 63 32.361 52.153 26.608 1.00 0.00 C ATOM 1003 CG LYS A 63 31.399 51.907 27.768 1.00 0.00 C ATOM 1004 CD LYS A 63 30.137 52.764 27.748 1.00 0.00 C ATOM 1005 CE LYS A 63 29.329 52.586 26.466 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.004 53.216 26.563 1.00 0.00 N ATOM 0 H LYS A 63 32.337 49.729 26.632 1.00 0.00 H new ATOM 0 HA LYS A 63 34.197 51.479 25.716 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.623 53.211 26.593 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.841 51.940 25.674 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.108 50.857 27.763 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.928 52.087 28.704 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.514 52.507 28.605 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.412 53.813 27.857 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.876 53.018 25.628 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.211 51.523 26.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.486 53.073 25.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.472 52.786 27.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.116 54.235 26.739 1.00 0.00 H new ATOM 1020 N GLU A 64 35.679 52.469 27.375 1.00 0.00 N ATOM 1021 CA GLU A 64 36.748 52.948 28.229 1.00 0.00 C ATOM 1022 C GLU A 64 37.549 51.886 28.985 1.00 0.00 C ATOM 1023 O GLU A 64 38.377 52.240 29.821 1.00 0.00 O ATOM 1024 CB GLU A 64 36.284 54.068 29.157 1.00 0.00 C ATOM 1025 CG GLU A 64 35.760 55.313 28.447 1.00 0.00 C ATOM 1026 CD GLU A 64 35.516 56.416 29.480 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.581 56.257 30.294 1.00 0.00 O ATOM 1028 OE2 GLU A 64 36.259 57.419 29.515 1.00 0.00 O ATOM 0 H GLU A 64 35.850 52.687 26.393 1.00 0.00 H new ATOM 0 HA GLU A 64 37.467 53.352 27.517 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.499 53.680 29.807 1.00 0.00 H new ATOM 0 HB3 GLU A 64 37.116 54.357 29.799 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.479 55.650 27.700 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.835 55.083 27.918 1.00 0.00 H new ATOM 1035 N SER A 65 37.377 50.598 28.701 1.00 0.00 N ATOM 1036 CA SER A 65 38.220 49.555 29.249 1.00 0.00 C ATOM 1037 C SER A 65 39.692 49.751 28.883 1.00 0.00 C ATOM 1038 O SER A 65 40.019 50.134 27.761 1.00 0.00 O ATOM 1039 CB SER A 65 37.768 48.177 28.774 1.00 0.00 C ATOM 1040 OG SER A 65 36.581 47.760 29.411 1.00 0.00 O ATOM 0 H SER A 65 36.644 50.253 28.081 1.00 0.00 H new ATOM 0 HA SER A 65 38.122 49.619 30.333 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.612 48.199 27.695 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.557 47.450 28.967 1.00 0.00 H new ATOM 0 HG SER A 65 36.641 46.805 29.621 1.00 0.00 H new ATOM 1046 N THR A 66 40.581 49.440 29.821 1.00 0.00 N ATOM 1047 CA THR A 66 42.015 49.593 29.683 1.00 0.00 C ATOM 1048 C THR A 66 42.720 48.250 29.483 1.00 0.00 C ATOM 1049 O THR A 66 42.517 47.309 30.246 1.00 0.00 O ATOM 1050 CB THR A 66 42.657 50.357 30.838 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.579 49.696 32.081 1.00 0.00 O ATOM 1052 CG2 THR A 66 42.045 51.741 31.037 1.00 0.00 C ATOM 0 H THR A 66 40.307 49.062 30.728 1.00 0.00 H new ATOM 0 HA THR A 66 42.150 50.195 28.784 1.00 0.00 H new ATOM 0 HB THR A 66 43.701 50.431 30.534 1.00 0.00 H new ATOM 0 HG1 THR A 66 43.407 49.196 32.238 1.00 0.00 H new ATOM 0 HG21 THR A 66 42.538 52.241 31.871 1.00 0.00 H new ATOM 0 HG22 THR A 66 42.178 52.331 30.130 1.00 0.00 H new ATOM 0 HG23 THR A 66 40.981 51.641 31.252 1.00 0.00 H new ATOM 1060 N LEU A 67 43.558 48.181 28.452 1.00 0.00 N ATOM 1061 CA LEU A 67 44.378 47.045 28.083 1.00 0.00 C ATOM 1062 C LEU A 67 45.838 47.360 28.416 1.00 0.00 C ATOM 1063 O LEU A 67 46.297 48.484 28.226 1.00 0.00 O ATOM 1064 CB LEU A 67 44.206 46.729 26.599 1.00 0.00 C ATOM 1065 CG LEU A 67 42.923 46.013 26.187 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.636 46.772 26.498 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.964 45.782 24.679 1.00 0.00 C ATOM 0 H LEU A 67 43.686 48.969 27.817 1.00 0.00 H new ATOM 0 HA LEU A 67 44.068 46.164 28.645 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.264 47.666 26.044 1.00 0.00 H new ATOM 0 HB3 LEU A 67 45.051 46.118 26.283 1.00 0.00 H new ATOM 0 HG LEU A 67 42.895 45.091 26.768 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.779 46.185 26.169 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.567 46.946 27.572 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.642 47.728 25.975 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.054 45.271 24.364 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.037 46.741 24.166 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.830 45.169 24.428 1.00 0.00 H new ATOM 1079 N HIS A 68 46.569 46.359 28.900 1.00 0.00 N ATOM 1080 CA HIS A 68 47.887 46.501 29.488 1.00 0.00 C ATOM 1081 C HIS A 68 48.907 45.604 28.786 1.00 0.00 C ATOM 1082 O HIS A 68 48.538 44.705 28.032 1.00 0.00 O ATOM 1083 CB HIS A 68 47.775 46.201 30.980 1.00 0.00 C ATOM 1084 CG HIS A 68 46.890 47.175 31.706 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.311 48.355 32.320 1.00 0.00 N ATOM 1086 CD2 HIS A 68 45.525 47.095 31.793 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.201 48.967 32.736 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.108 48.247 32.430 1.00 0.00 N ATOM 0 H HIS A 68 46.242 45.393 28.890 1.00 0.00 H new ATOM 0 HA HIS A 68 48.251 47.520 29.357 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.384 45.192 31.115 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.770 46.220 31.425 1.00 0.00 H new ATOM 0 HD1 HIS A 68 48.271 48.683 32.429 1.00 0.00 H new ATOM 0 HD2 HIS A 68 44.900 46.291 31.435 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.183 49.916 33.251 1.00 0.00 H new ATOM 1096 N LEU A 69 50.200 45.830 29.000 1.00 0.00 N ATOM 1097 CA LEU A 69 51.264 45.071 28.374 1.00 0.00 C ATOM 1098 C LEU A 69 52.512 44.986 29.255 1.00 0.00 C ATOM 1099 O LEU A 69 52.787 45.877 30.056 1.00 0.00 O ATOM 1100 CB LEU A 69 51.555 45.648 26.992 1.00 0.00 C ATOM 1101 CG LEU A 69 52.115 47.067 26.957 1.00 0.00 C ATOM 1102 CD1 LEU A 69 53.638 47.079 26.858 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.567 47.828 25.753 1.00 0.00 C ATOM 0 H LEU A 69 50.538 46.561 29.626 1.00 0.00 H new ATOM 0 HA LEU A 69 50.932 44.040 28.250 1.00 0.00 H new ATOM 0 HB2 LEU A 69 52.261 44.989 26.488 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.632 45.630 26.412 1.00 0.00 H new ATOM 0 HG LEU A 69 51.810 47.542 27.889 1.00 0.00 H new ATOM 0 HD11 LEU A 69 53.993 48.109 26.836 1.00 0.00 H new ATOM 0 HD12 LEU A 69 54.063 46.567 27.722 1.00 0.00 H new ATOM 0 HD13 LEU A 69 53.947 46.569 25.946 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.977 48.838 25.744 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.852 47.312 24.836 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.480 47.878 25.818 1.00 0.00 H new ATOM 1115 N VAL A 70 53.292 43.923 29.076 1.00 0.00 N ATOM 1116 CA VAL A 70 54.584 43.716 29.699 1.00 0.00 C ATOM 1117 C VAL A 70 55.610 43.479 28.590 1.00 0.00 C ATOM 1118 O VAL A 70 55.474 42.542 27.806 1.00 0.00 O ATOM 1119 CB VAL A 70 54.529 42.563 30.698 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.890 42.270 31.324 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.560 42.851 31.841 1.00 0.00 C ATOM 0 H VAL A 70 53.023 43.152 28.465 1.00 0.00 H new ATOM 0 HA VAL A 70 54.878 44.595 30.272 1.00 0.00 H new ATOM 0 HB VAL A 70 54.194 41.702 30.120 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.797 41.442 32.027 1.00 0.00 H new ATOM 0 HG12 VAL A 70 56.601 42.003 30.542 1.00 0.00 H new ATOM 0 HG13 VAL A 70 56.246 43.155 31.851 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.549 42.007 32.530 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.879 43.748 32.371 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.558 43.004 31.439 1.00 0.00 H new ATOM 1131 N LEU A 71 56.624 44.335 28.504 1.00 0.00 N ATOM 1132 CA LEU A 71 57.584 44.335 27.418 1.00 0.00 C ATOM 1133 C LEU A 71 58.421 43.056 27.358 1.00 0.00 C ATOM 1134 O LEU A 71 58.674 42.548 26.267 1.00 0.00 O ATOM 1135 CB LEU A 71 58.437 45.596 27.524 1.00 0.00 C ATOM 1136 CG LEU A 71 59.408 45.829 26.370 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.707 45.934 25.019 1.00 0.00 C ATOM 1138 CD2 LEU A 71 60.164 47.134 26.603 1.00 0.00 C ATOM 0 H LEU A 71 56.800 45.058 29.202 1.00 0.00 H new ATOM 0 HA LEU A 71 57.045 44.347 26.471 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.774 46.458 27.598 1.00 0.00 H new ATOM 0 HB3 LEU A 71 59.007 45.552 28.452 1.00 0.00 H new ATOM 0 HG LEU A 71 60.077 44.969 26.344 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.448 46.100 24.237 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.166 45.009 24.817 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.006 46.768 25.037 1.00 0.00 H new ATOM 0 HD21 LEU A 71 60.859 47.304 25.780 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.455 47.961 26.656 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.719 47.071 27.539 1.00 0.00 H new ATOM 1150 N ARG A 72 58.770 42.461 28.495 1.00 0.00 N ATOM 1151 CA ARG A 72 59.439 41.178 28.548 1.00 0.00 C ATOM 1152 C ARG A 72 58.612 40.018 27.988 1.00 0.00 C ATOM 1153 O ARG A 72 59.183 39.101 27.401 1.00 0.00 O ATOM 1154 CB ARG A 72 59.849 40.858 29.983 1.00 0.00 C ATOM 1155 CG ARG A 72 61.021 41.719 30.445 1.00 0.00 C ATOM 1156 CD ARG A 72 61.516 41.256 31.812 1.00 0.00 C ATOM 1157 NE ARG A 72 62.153 39.942 31.719 1.00 0.00 N ATOM 1158 CZ ARG A 72 63.405 39.691 31.315 1.00 0.00 C ATOM 1159 NH1 ARG A 72 64.296 40.662 31.071 1.00 0.00 N ATOM 1160 NH2 ARG A 72 63.788 38.425 31.101 1.00 0.00 N ATOM 0 H ARG A 72 58.591 42.867 29.414 1.00 0.00 H new ATOM 0 HA ARG A 72 60.315 41.275 27.906 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.999 41.015 30.647 1.00 0.00 H new ATOM 0 HB3 ARG A 72 60.121 39.805 30.057 1.00 0.00 H new ATOM 0 HG2 ARG A 72 61.832 41.660 29.719 1.00 0.00 H new ATOM 0 HG3 ARG A 72 60.715 42.764 30.497 1.00 0.00 H new ATOM 0 HD2 ARG A 72 62.225 41.981 32.211 1.00 0.00 H new ATOM 0 HD3 ARG A 72 60.680 41.211 32.510 1.00 0.00 H new ATOM 0 HE ARG A 72 61.587 39.137 31.989 1.00 0.00 H new ATOM 0 HH11 ARG A 72 64.031 41.640 31.192 1.00 0.00 H new ATOM 0 HH12 ARG A 72 65.239 40.423 30.765 1.00 0.00 H new ATOM 0 HH21 ARG A 72 63.128 37.661 31.246 1.00 0.00 H new ATOM 0 HH22 ARG A 72 64.740 38.225 30.793 1.00 0.00 H new ATOM 1174 N LEU A 73 57.289 40.073 28.109 1.00 0.00 N ATOM 1175 CA LEU A 73 56.396 39.109 27.496 1.00 0.00 C ATOM 1176 C LEU A 73 56.276 39.339 25.988 1.00 0.00 C ATOM 1177 O LEU A 73 56.267 38.369 25.233 1.00 0.00 O ATOM 1178 CB LEU A 73 55.046 39.091 28.204 1.00 0.00 C ATOM 1179 CG LEU A 73 55.097 38.756 29.692 1.00 0.00 C ATOM 1180 CD1 LEU A 73 53.680 38.667 30.250 1.00 0.00 C ATOM 1181 CD2 LEU A 73 55.799 37.435 29.993 1.00 0.00 C ATOM 0 H LEU A 73 56.807 40.797 28.642 1.00 0.00 H new ATOM 0 HA LEU A 73 56.827 38.115 27.618 1.00 0.00 H new ATOM 0 HB2 LEU A 73 54.578 40.068 28.084 1.00 0.00 H new ATOM 0 HB3 LEU A 73 54.402 38.365 27.706 1.00 0.00 H new ATOM 0 HG LEU A 73 55.668 39.557 30.161 1.00 0.00 H new ATOM 0 HD11 LEU A 73 53.722 38.428 31.313 1.00 0.00 H new ATOM 0 HD12 LEU A 73 53.174 39.623 30.113 1.00 0.00 H new ATOM 0 HD13 LEU A 73 53.130 37.887 29.724 1.00 0.00 H new ATOM 0 HD21 LEU A 73 55.799 37.260 31.069 1.00 0.00 H new ATOM 0 HD22 LEU A 73 55.274 36.621 29.493 1.00 0.00 H new ATOM 0 HD23 LEU A 73 56.827 37.479 29.633 1.00 0.00 H new ATOM 1193 N ARG A 74 56.311 40.581 25.514 1.00 0.00 N ATOM 1194 CA ARG A 74 56.449 40.879 24.103 1.00 0.00 C ATOM 1195 C ARG A 74 57.762 40.370 23.504 1.00 0.00 C ATOM 1196 O ARG A 74 57.806 40.020 22.327 1.00 0.00 O ATOM 1197 CB ARG A 74 56.280 42.373 23.842 1.00 0.00 C ATOM 1198 CG ARG A 74 54.877 42.858 24.194 1.00 0.00 C ATOM 1199 CD ARG A 74 54.658 44.297 23.736 1.00 0.00 C ATOM 1200 NE ARG A 74 53.232 44.622 23.701 1.00 0.00 N ATOM 1201 CZ ARG A 74 52.650 45.401 22.780 1.00 0.00 C ATOM 1202 NH1 ARG A 74 53.340 46.162 21.919 1.00 0.00 N ATOM 1203 NH2 ARG A 74 51.313 45.396 22.689 1.00 0.00 N ATOM 0 H ARG A 74 56.244 41.409 26.106 1.00 0.00 H new ATOM 0 HA ARG A 74 55.649 40.338 23.598 1.00 0.00 H new ATOM 0 HB2 ARG A 74 57.013 42.929 24.427 1.00 0.00 H new ATOM 0 HB3 ARG A 74 56.484 42.583 22.792 1.00 0.00 H new ATOM 0 HG2 ARG A 74 54.137 42.208 23.726 1.00 0.00 H new ATOM 0 HG3 ARG A 74 54.726 42.790 25.271 1.00 0.00 H new ATOM 0 HD2 ARG A 74 55.174 44.980 24.410 1.00 0.00 H new ATOM 0 HD3 ARG A 74 55.092 44.438 22.746 1.00 0.00 H new ATOM 0 HE ARG A 74 52.638 44.227 24.430 1.00 0.00 H new ATOM 0 HH11 ARG A 74 54.360 46.166 21.946 1.00 0.00 H new ATOM 0 HH12 ARG A 74 52.845 46.737 21.237 1.00 0.00 H new ATOM 0 HH21 ARG A 74 50.762 44.807 23.313 1.00 0.00 H new ATOM 0 HH22 ARG A 74 50.847 45.981 21.995 1.00 0.00 H new ATOM 1217 N GLY A 75 58.800 40.227 24.324 1.00 0.00 N ATOM 1218 CA GLY A 75 60.042 39.558 23.993 1.00 0.00 C ATOM 1219 C GLY A 75 59.985 38.029 23.954 1.00 0.00 C ATOM 1220 O GLY A 75 61.018 37.415 23.698 1.00 0.00 O ATOM 0 H GLY A 75 58.792 40.592 25.276 1.00 0.00 H new ATOM 0 HA2 GLY A 75 60.377 39.915 23.019 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.798 39.856 24.719 1.00 0.00 H new ATOM 1224 N GLY A 76 58.834 37.406 24.192 1.00 0.00 N ATOM 1225 CA GLY A 76 58.632 35.972 24.155 1.00 0.00 C ATOM 1226 C GLY A 76 57.165 35.576 23.975 1.00 0.00 C ATOM 1227 O GLY A 76 56.635 34.854 24.845 1.00 0.00 O ATOM 1228 OXT GLY A 76 56.557 35.993 22.965 1.00 0.00 O ATOM 0 H GLY A 76 57.982 37.916 24.426 1.00 0.00 H new ATOM 0 HA2 GLY A 76 59.219 35.550 23.339 1.00 0.00 H new ATOM 0 HA3 GLY A 76 59.009 35.534 25.079 1.00 0.00 H new TER 1232 GLY A 76