USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 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 22 THR OG1 : rot 180:sc= 0.125 USER MOD Set 1.2: A 25 ASN : amide:sc=-0.00856 K(o=0.12,f=-1.3) USER MOD Set 2.1: A 7 THR OG1 : rot -69:sc= 1.09 USER MOD Set 2.2: A 9 THR OG1 : rot 11:sc= 0.149 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -109:sc= -0.139 (180deg=-1.69!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 2.47 (180deg=1.46) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.32) 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=-0.24) USER MOD Single : A 41 GLN : amide:sc= 0.172 K(o=0.17,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= -0.113 (180deg=-0.736) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 55 THR OG1 : rot -63:sc= 1.28 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.242 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 62 GLN : amide:sc=-0.00222 K(o=-0.0022,f=-0.77) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 80:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0887 K(o=-0.089,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.674 -6.748 -5.205 1.00 9.67 N ATOM 2 CA MET A 1 11.484 -6.770 -3.673 1.00 10.38 C ATOM 3 C MET A 1 10.078 -7.275 -3.269 1.00 9.62 C ATOM 4 O MET A 1 9.151 -7.188 -4.063 1.00 9.62 O ATOM 5 CB MET A 1 11.785 -5.351 -3.178 1.00 13.77 C ATOM 6 CG MET A 1 11.483 -4.957 -1.677 1.00 16.29 C ATOM 7 SD MET A 1 12.218 -3.329 -1.394 1.00 17.17 S ATOM 8 CE MET A 1 10.681 -2.391 -1.455 1.00 16.11 C ATOM 0 H1 MET A 1 12.629 -6.404 -5.431 1.00 9.67 H new ATOM 0 H2 MET A 1 11.554 -7.709 -5.584 1.00 9.67 H new ATOM 0 H3 MET A 1 10.967 -6.116 -5.633 1.00 9.67 H new ATOM 0 HA MET A 1 12.164 -7.479 -3.201 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.844 -5.163 -3.356 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.228 -4.661 -3.813 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.409 -4.931 -1.495 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.905 -5.694 -0.993 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.894 -1.333 -1.301 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.209 -2.529 -2.428 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.009 -2.743 -0.673 1.00 16.11 H new ATOM 20 N GLN A 2 9.873 -7.812 -2.056 1.00 9.27 N ATOM 21 CA GLN A 2 8.599 -8.428 -1.622 1.00 9.07 C ATOM 22 C GLN A 2 8.187 -7.728 -0.345 1.00 8.72 C ATOM 23 O GLN A 2 9.022 -7.443 0.518 1.00 8.22 O ATOM 24 CB GLN A 2 8.788 -9.952 -1.434 1.00 14.46 C ATOM 25 CG GLN A 2 7.451 -10.654 -1.348 1.00 17.01 C ATOM 26 CD GLN A 2 7.652 -12.192 -1.148 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.600 -12.639 0.015 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.023 -12.955 -2.206 1.00 19.49 N ATOM 0 H GLN A 2 10.595 -7.833 -1.335 1.00 9.27 H new ATOM 0 HA GLN A 2 7.812 -8.310 -2.367 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.363 -10.357 -2.267 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.362 -10.142 -0.527 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.872 -10.246 -0.519 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.878 -10.471 -2.257 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.052 -12.550 -3.142 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.273 -13.934 -2.066 1.00 19.49 H new ATOM 37 N ILE A 3 6.940 -7.257 -0.223 1.00 5.87 N ATOM 38 CA ILE A 3 6.392 -6.530 0.950 1.00 5.07 C ATOM 39 C ILE A 3 5.058 -7.165 1.336 1.00 4.01 C ATOM 40 O ILE A 3 4.414 -7.869 0.539 1.00 4.61 O ATOM 41 CB ILE A 3 6.279 -5.078 0.664 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.309 -4.706 -0.517 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.699 -4.485 0.406 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.031 -3.186 -0.585 1.00 10.83 C ATOM 0 H ILE A 3 6.249 -7.372 -0.965 1.00 5.87 H new ATOM 0 HA ILE A 3 7.069 -6.615 1.800 1.00 5.07 H new ATOM 0 HB ILE A 3 5.826 -4.635 1.551 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.743 -5.037 -1.460 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.367 -5.241 -0.394 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.615 -3.419 0.196 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.321 -4.633 1.289 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.154 -4.988 -0.447 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.357 -2.976 -1.415 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.571 -2.858 0.347 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.969 -2.651 -0.735 1.00 10.83 H new ATOM 56 N PHE A 4 4.566 -7.001 2.615 1.00 4.55 N ATOM 57 CA PHE A 4 3.361 -7.589 3.100 1.00 4.68 C ATOM 58 C PHE A 4 2.362 -6.472 3.392 1.00 5.30 C ATOM 59 O PHE A 4 2.638 -5.484 4.050 1.00 5.58 O ATOM 60 CB PHE A 4 3.605 -8.331 4.450 1.00 4.83 C ATOM 61 CG PHE A 4 4.718 -9.396 4.323 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.615 -10.356 3.315 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.786 -9.408 5.242 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.671 -11.241 3.149 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.756 -10.404 5.151 1.00 10.61 C ATOM 66 CZ PHE A 4 6.722 -11.326 4.117 1.00 8.90 C ATOM 0 H PHE A 4 5.043 -6.434 3.316 1.00 4.55 H new ATOM 0 HA PHE A 4 2.997 -8.290 2.349 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.879 -7.608 5.218 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.680 -8.808 4.776 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.740 -10.408 2.684 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.852 -8.652 6.010 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.700 -11.876 2.276 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.540 -10.458 5.892 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.476 -12.096 4.043 1.00 8.90 H new ATOM 76 N VAL A 5 1.098 -6.620 2.895 1.00 4.44 N ATOM 77 CA VAL A 5 -0.009 -5.693 3.251 1.00 3.87 C ATOM 78 C VAL A 5 -0.961 -6.418 4.091 1.00 4.93 C ATOM 79 O VAL A 5 -1.549 -7.387 3.653 1.00 6.84 O ATOM 80 CB VAL A 5 -0.670 -5.198 2.044 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.702 -4.114 2.425 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.410 -4.670 1.096 1.00 9.13 C ATOM 0 H VAL A 5 0.827 -7.366 2.254 1.00 4.44 H new ATOM 0 HA VAL A 5 0.386 -4.833 3.791 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.218 -5.992 1.537 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.193 -3.747 1.524 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.447 -4.541 3.096 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.195 -3.288 2.924 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.057 -4.294 0.186 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.958 -3.863 1.582 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.099 -5.476 0.844 1.00 9.13 H new ATOM 92 N LYS A 6 -1.135 -6.028 5.335 1.00 6.04 N ATOM 93 CA LYS A 6 -2.102 -6.540 6.310 1.00 6.12 C ATOM 94 C LYS A 6 -3.374 -5.715 6.251 1.00 6.57 C ATOM 95 O LYS A 6 -3.409 -4.477 6.338 1.00 5.76 O ATOM 96 CB LYS A 6 -1.436 -6.471 7.670 1.00 7.45 C ATOM 97 CG LYS A 6 -2.396 -6.708 8.862 1.00 11.12 C ATOM 98 CD LYS A 6 -2.788 -8.166 8.817 1.00 14.54 C ATOM 99 CE LYS A 6 -3.812 -8.478 9.895 1.00 18.84 C ATOM 100 NZ LYS A 6 -3.275 -8.450 11.241 1.00 20.55 N ATOM 0 H LYS A 6 -0.562 -5.284 5.733 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.388 -7.570 6.098 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.638 -7.212 7.709 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.969 -5.493 7.784 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.908 -6.467 9.806 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.275 -6.068 8.785 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.199 -8.408 7.837 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.905 -8.790 8.955 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -4.629 -7.760 9.825 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -4.237 -9.463 9.704 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -4.030 -8.672 11.921 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.515 -9.154 11.326 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.894 -7.504 11.443 1.00 20.55 H new ATOM 114 N THR A 7 -4.497 -6.400 6.118 1.00 7.41 N ATOM 115 CA THR A 7 -5.874 -5.902 6.029 1.00 7.48 C ATOM 116 C THR A 7 -6.700 -5.807 7.264 1.00 8.75 C ATOM 117 O THR A 7 -6.470 -6.431 8.280 1.00 8.58 O ATOM 118 CB THR A 7 -6.654 -6.741 5.033 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.804 -8.071 5.392 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.857 -6.751 3.698 1.00 9.17 C ATOM 0 H THR A 7 -4.473 -7.418 6.064 1.00 7.41 H new ATOM 0 HA THR A 7 -5.711 -4.865 5.736 1.00 7.48 H new ATOM 0 HB THR A 7 -7.646 -6.294 4.972 1.00 9.61 H new ATOM 0 HG1 THR A 7 -5.937 -8.525 5.335 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.392 -7.347 2.959 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.749 -5.730 3.331 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.870 -7.182 3.867 1.00 9.17 H new ATOM 128 N LEU A 8 -7.706 -4.927 7.160 1.00 9.84 N ATOM 129 CA LEU A 8 -8.758 -4.845 8.239 1.00 14.15 C ATOM 130 C LEU A 8 -9.593 -6.167 8.399 1.00 17.37 C ATOM 131 O LEU A 8 -10.233 -6.376 9.435 1.00 17.01 O ATOM 132 CB LEU A 8 -9.609 -3.592 8.019 1.00 16.63 C ATOM 133 CG LEU A 8 -9.004 -2.204 8.336 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.927 -1.108 7.878 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.751 -2.021 9.821 1.00 18.59 C ATOM 0 H LEU A 8 -7.832 -4.278 6.383 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.261 -4.747 9.204 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.918 -3.584 6.974 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.513 -3.700 8.618 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.054 -2.150 7.804 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.484 -0.139 8.110 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.082 -1.188 6.802 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.885 -1.201 8.390 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.326 -1.033 9.999 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.691 -2.115 10.365 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.054 -2.784 10.168 1.00 18.59 H new ATOM 147 N THR A 9 -9.669 -7.034 7.362 1.00 18.33 N ATOM 148 CA THR A 9 -10.419 -8.258 7.475 1.00 19.24 C ATOM 149 C THR A 9 -9.579 -9.365 7.975 1.00 19.48 C ATOM 150 O THR A 9 -10.074 -10.427 8.304 1.00 23.14 O ATOM 151 CB THR A 9 -10.806 -8.719 6.070 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.729 -8.728 5.119 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.759 -7.725 5.533 1.00 19.70 C ATOM 0 H THR A 9 -9.218 -6.891 6.458 1.00 18.33 H new ATOM 0 HA THR A 9 -11.260 -8.056 8.138 1.00 19.24 H new ATOM 0 HB THR A 9 -11.182 -9.736 6.181 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.878 -8.594 5.587 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.062 -8.017 4.528 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.637 -7.678 6.177 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.282 -6.746 5.498 1.00 19.70 H new ATOM 161 N GLY A 10 -8.238 -9.070 8.188 1.00 19.43 N ATOM 162 CA GLY A 10 -7.287 -9.892 8.904 1.00 18.74 C ATOM 163 C GLY A 10 -6.548 -10.909 8.111 1.00 17.62 C ATOM 164 O GLY A 10 -5.866 -11.786 8.660 1.00 19.74 O ATOM 0 H GLY A 10 -7.817 -8.211 7.835 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.558 -9.234 9.376 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.818 -10.406 9.705 1.00 18.74 H new ATOM 168 N LYS A 11 -6.570 -10.798 6.775 1.00 13.56 N ATOM 169 CA LYS A 11 -5.660 -11.586 5.908 1.00 11.91 C ATOM 170 C LYS A 11 -4.351 -10.866 5.588 1.00 10.18 C ATOM 171 O LYS A 11 -4.405 -9.622 5.500 1.00 9.10 O ATOM 172 CB LYS A 11 -6.330 -12.209 4.646 1.00 13.43 C ATOM 173 CG LYS A 11 -6.725 -11.241 3.561 1.00 16.69 C ATOM 174 CD LYS A 11 -7.395 -11.989 2.385 1.00 17.92 C ATOM 175 CE LYS A 11 -7.553 -11.010 1.236 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.179 -11.691 0.019 1.00 21.93 N ATOM 0 H LYS A 11 -7.200 -10.177 6.267 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.395 -12.444 6.526 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.645 -12.942 4.220 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.221 -12.752 4.963 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.411 -10.495 3.963 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.845 -10.706 3.205 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.787 -12.841 2.079 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.366 -12.382 2.687 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.177 -10.173 1.550 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.580 -10.599 0.967 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.462 -11.796 -0.727 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.536 -12.629 0.291 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.966 -11.111 -0.337 1.00 21.93 H new ATOM 190 N THR A 12 -3.287 -11.605 5.286 1.00 9.63 N ATOM 191 CA THR A 12 -2.055 -10.882 4.912 1.00 9.85 C ATOM 192 C THR A 12 -1.751 -11.013 3.434 1.00 11.66 C ATOM 193 O THR A 12 -1.720 -12.119 2.919 1.00 12.33 O ATOM 194 CB THR A 12 -0.806 -11.217 5.751 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.102 -11.023 7.126 1.00 10.91 O ATOM 196 CG2 THR A 12 0.441 -10.373 5.402 1.00 9.63 C ATOM 0 H THR A 12 -3.238 -12.624 5.287 1.00 9.63 H new ATOM 0 HA THR A 12 -2.286 -9.843 5.145 1.00 9.85 H new ATOM 0 HB THR A 12 -0.562 -12.254 5.522 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.311 -11.236 7.664 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.273 -10.673 6.039 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.707 -10.532 4.357 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.223 -9.317 5.564 1.00 9.63 H new ATOM 204 N ILE A 13 -1.603 -9.975 2.635 1.00 10.42 N ATOM 205 CA ILE A 13 -1.412 -10.117 1.198 1.00 11.84 C ATOM 206 C ILE A 13 0.055 -10.031 0.935 1.00 10.55 C ATOM 207 O ILE A 13 0.723 -9.252 1.594 1.00 11.92 O ATOM 208 CB ILE A 13 -1.948 -8.891 0.395 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.457 -8.847 0.514 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.513 -8.997 -1.107 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.068 -7.479 0.155 1.00 16.46 C ATOM 0 H ILE A 13 -1.611 -9.008 2.960 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.911 -11.041 0.907 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.529 -7.971 0.803 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.886 -9.609 -0.137 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.740 -9.104 1.535 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.893 -8.136 -1.657 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.425 -9.017 -1.170 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.918 -9.912 -1.540 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.152 -7.525 0.264 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.668 -6.716 0.822 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.817 -7.228 -0.875 1.00 16.46 H new ATOM 223 N THR A 14 0.660 -10.843 0.043 1.00 9.39 N ATOM 224 CA THR A 14 2.081 -10.746 -0.289 1.00 9.63 C ATOM 225 C THR A 14 2.299 -10.138 -1.631 1.00 11.20 C ATOM 226 O THR A 14 1.713 -10.584 -2.643 1.00 11.63 O ATOM 227 CB THR A 14 2.797 -12.079 -0.326 1.00 10.38 C ATOM 228 OG1 THR A 14 2.663 -12.795 0.846 1.00 16.30 O ATOM 229 CG2 THR A 14 4.298 -12.003 -0.608 1.00 11.66 C ATOM 0 H THR A 14 0.170 -11.581 -0.462 1.00 9.39 H new ATOM 0 HA THR A 14 2.485 -10.128 0.513 1.00 9.63 H new ATOM 0 HB THR A 14 2.300 -12.576 -1.159 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.142 -13.646 0.766 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.718 -13.009 -0.614 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.463 -11.535 -1.579 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.784 -11.411 0.167 1.00 11.66 H new ATOM 237 N LEU A 15 3.090 -9.053 -1.691 1.00 8.29 N ATOM 238 CA LEU A 15 3.258 -8.363 -2.938 1.00 9.03 C ATOM 239 C LEU A 15 4.647 -8.323 -3.452 1.00 8.59 C ATOM 240 O LEU A 15 5.584 -8.135 -2.633 1.00 7.79 O ATOM 241 CB LEU A 15 2.861 -6.918 -2.670 1.00 11.08 C ATOM 242 CG LEU A 15 1.359 -6.714 -2.385 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.172 -5.251 -2.278 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.544 -7.294 -3.534 1.00 15.27 C ATOM 0 H LEU A 15 3.602 -8.659 -0.902 1.00 8.29 H new ATOM 0 HA LEU A 15 2.662 -8.891 -3.682 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.434 -6.548 -1.819 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.141 -6.311 -3.531 1.00 11.08 H new ATOM 0 HG LEU A 15 1.031 -7.215 -1.474 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.124 -5.032 -2.075 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.787 -4.864 -1.466 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.467 -4.777 -3.214 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.518 -7.151 -3.335 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.811 -6.787 -4.461 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.755 -8.359 -3.629 1.00 15.27 H new ATOM 256 N GLU A 16 4.859 -8.473 -4.750 1.00 11.04 N ATOM 257 CA GLU A 16 6.143 -8.197 -5.369 1.00 11.50 C ATOM 258 C GLU A 16 6.116 -6.788 -5.946 1.00 10.13 C ATOM 259 O GLU A 16 5.175 -6.398 -6.620 1.00 9.83 O ATOM 260 CB GLU A 16 6.499 -9.288 -6.451 1.00 17.22 C ATOM 261 CG GLU A 16 6.101 -10.670 -6.052 1.00 23.33 C ATOM 262 CD GLU A 16 6.708 -11.667 -7.033 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.953 -11.624 -7.234 1.00 28.86 O ATOM 264 OE2 GLU A 16 5.961 -12.570 -7.527 1.00 28.90 O ATOM 0 H GLU A 16 4.143 -8.790 -5.404 1.00 11.04 H new ATOM 0 HA GLU A 16 6.935 -8.248 -4.622 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.007 -9.033 -7.389 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.573 -9.267 -6.638 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.444 -10.882 -5.039 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.015 -10.762 -6.046 1.00 23.33 H new ATOM 271 N VAL A 17 7.169 -6.009 -5.683 1.00 8.99 N ATOM 272 CA VAL A 17 7.254 -4.591 -5.973 1.00 8.85 C ATOM 273 C VAL A 17 8.684 -4.378 -6.339 1.00 8.04 C ATOM 274 O VAL A 17 9.545 -5.233 -6.119 1.00 8.99 O ATOM 275 CB VAL A 17 6.907 -3.756 -4.694 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.397 -3.838 -4.379 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.788 -4.176 -3.462 1.00 10.54 C ATOM 0 H VAL A 17 8.015 -6.372 -5.244 1.00 8.99 H new ATOM 0 HA VAL A 17 6.563 -4.283 -6.758 1.00 8.85 H new ATOM 0 HB VAL A 17 7.146 -2.713 -4.903 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.179 -3.251 -3.487 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.828 -3.444 -5.221 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.117 -4.877 -4.207 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.515 -3.572 -2.597 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.620 -5.229 -3.237 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.841 -4.018 -3.697 1.00 10.54 H new ATOM 287 N GLU A 18 8.979 -3.200 -6.861 1.00 7.29 N ATOM 288 CA GLU A 18 10.301 -2.609 -6.993 1.00 7.08 C ATOM 289 C GLU A 18 10.256 -1.367 -6.141 1.00 6.45 C ATOM 290 O GLU A 18 9.197 -0.801 -5.915 1.00 5.28 O ATOM 291 CB GLU A 18 10.637 -2.272 -8.485 1.00 10.28 C ATOM 292 CG GLU A 18 10.366 -3.412 -9.418 1.00 12.65 C ATOM 293 CD GLU A 18 10.706 -3.051 -10.889 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.073 -2.109 -11.393 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.566 -3.685 -11.515 1.00 18.17 O ATOM 0 H GLU A 18 8.251 -2.588 -7.230 1.00 7.29 H new ATOM 0 HA GLU A 18 11.085 -3.294 -6.672 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.051 -1.407 -8.797 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.687 -1.990 -8.560 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.952 -4.278 -9.112 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.316 -3.697 -9.348 1.00 12.65 H new ATOM 302 N PRO A 19 11.357 -0.918 -5.491 1.00 7.24 N ATOM 303 CA PRO A 19 11.284 0.170 -4.491 1.00 7.07 C ATOM 304 C PRO A 19 11.028 1.445 -5.319 1.00 6.65 C ATOM 305 O PRO A 19 10.747 2.517 -4.765 1.00 6.37 O ATOM 306 CB PRO A 19 12.675 0.091 -3.859 1.00 7.61 C ATOM 307 CG PRO A 19 13.557 -0.406 -5.043 1.00 8.16 C ATOM 308 CD PRO A 19 12.679 -1.526 -5.573 1.00 7.49 C ATOM 0 HA PRO A 19 10.517 0.131 -3.717 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.006 1.060 -3.485 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.699 -0.601 -3.017 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.734 0.372 -5.786 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.534 -0.762 -4.715 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.940 -1.805 -6.594 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.754 -2.429 -4.967 1.00 7.49 H new ATOM 316 N SER A 20 11.103 1.380 -6.676 1.00 6.80 N ATOM 317 CA SER A 20 10.903 2.537 -7.547 1.00 6.28 C ATOM 318 C SER A 20 9.440 2.682 -8.037 1.00 8.45 C ATOM 319 O SER A 20 9.036 3.685 -8.646 1.00 7.26 O ATOM 320 CB SER A 20 11.859 2.583 -8.768 1.00 8.57 C ATOM 321 OG SER A 20 11.953 1.305 -9.387 1.00 11.13 O ATOM 0 H SER A 20 11.304 0.518 -7.182 1.00 6.80 H new ATOM 0 HA SER A 20 11.145 3.383 -6.904 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.498 3.316 -9.490 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.848 2.911 -8.448 1.00 8.57 H new ATOM 0 HG SER A 20 12.559 1.357 -10.155 1.00 11.13 H new ATOM 327 N ASP A 21 8.643 1.649 -7.624 1.00 7.50 N ATOM 328 CA ASP A 21 7.244 1.688 -7.901 1.00 7.70 C ATOM 329 C ASP A 21 6.503 2.753 -7.097 1.00 7.08 C ATOM 330 O ASP A 21 6.820 2.951 -5.931 1.00 8.11 O ATOM 331 CB ASP A 21 6.616 0.299 -7.639 1.00 11.00 C ATOM 332 CG ASP A 21 6.976 -0.703 -8.701 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.194 -0.272 -9.851 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.006 -1.932 -8.375 1.00 18.03 O ATOM 0 H ASP A 21 8.967 0.824 -7.119 1.00 7.50 H new ATOM 0 HA ASP A 21 7.139 1.957 -8.952 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.948 -0.069 -6.668 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.532 0.397 -7.589 1.00 11.00 H new ATOM 339 N THR A 22 5.548 3.554 -7.709 1.00 5.37 N ATOM 340 CA THR A 22 4.772 4.588 -6.987 1.00 6.01 C ATOM 341 C THR A 22 3.785 3.881 -6.038 1.00 8.01 C ATOM 342 O THR A 22 3.454 2.697 -6.261 1.00 8.11 O ATOM 343 CB THR A 22 4.064 5.654 -7.761 1.00 8.92 C ATOM 344 OG1 THR A 22 2.901 5.161 -8.489 1.00 10.22 O ATOM 345 CG2 THR A 22 4.940 6.294 -8.840 1.00 9.65 C ATOM 0 H THR A 22 5.315 3.485 -8.700 1.00 5.37 H new ATOM 0 HA THR A 22 5.542 5.168 -6.479 1.00 6.01 H new ATOM 0 HB THR A 22 3.784 6.368 -6.986 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.480 5.902 -8.973 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.369 7.059 -9.366 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.815 6.749 -8.376 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.261 5.530 -9.548 1.00 9.65 H new ATOM 353 N ILE A 23 3.340 4.569 -4.963 1.00 8.32 N ATOM 354 CA ILE A 23 2.405 3.980 -4.015 1.00 9.92 C ATOM 355 C ILE A 23 1.103 3.679 -4.750 1.00 10.01 C ATOM 356 O ILE A 23 0.389 2.759 -4.389 1.00 8.71 O ATOM 357 CB ILE A 23 2.111 4.943 -2.813 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.423 5.288 -2.043 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.016 4.438 -1.908 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.314 4.141 -1.702 1.00 12.30 C ATOM 0 H ILE A 23 3.619 5.525 -4.743 1.00 8.32 H new ATOM 0 HA ILE A 23 2.847 3.070 -3.609 1.00 9.92 H new ATOM 0 HB ILE A 23 1.725 5.873 -3.231 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.994 5.998 -2.642 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.152 5.797 -1.118 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.859 5.148 -1.096 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.094 4.330 -2.478 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.303 3.471 -1.495 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.191 4.508 -1.169 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.774 3.436 -1.070 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.629 3.640 -2.617 1.00 12.30 H new ATOM 372 N GLU A 24 0.686 4.501 -5.761 1.00 9.54 N ATOM 373 CA GLU A 24 -0.535 4.232 -6.505 1.00 11.81 C ATOM 374 C GLU A 24 -0.305 2.995 -7.423 1.00 11.14 C ATOM 375 O GLU A 24 -1.296 2.264 -7.652 1.00 10.62 O ATOM 376 CB GLU A 24 -0.881 5.463 -7.334 1.00 19.24 C ATOM 377 CG GLU A 24 -2.396 5.529 -7.705 1.00 27.76 C ATOM 378 CD GLU A 24 -2.816 6.809 -8.346 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.939 7.850 -7.626 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.098 6.860 -9.549 1.00 34.80 O ATOM 0 H GLU A 24 1.186 5.339 -6.059 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.362 4.016 -5.828 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.607 6.360 -6.778 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.287 5.460 -8.248 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.629 4.705 -8.379 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.986 5.378 -6.801 1.00 27.76 H new ATOM 387 N ASN A 25 0.967 2.745 -7.934 1.00 9.43 N ATOM 388 CA ASN A 25 1.372 1.513 -8.675 1.00 10.96 C ATOM 389 C ASN A 25 1.406 0.313 -7.813 1.00 9.68 C ATOM 390 O ASN A 25 0.925 -0.712 -8.269 1.00 9.33 O ATOM 391 CB ASN A 25 2.693 1.722 -9.499 1.00 16.78 C ATOM 392 CG ASN A 25 2.514 2.768 -10.513 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.409 3.294 -10.755 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.631 3.195 -11.151 1.00 24.70 N ATOM 0 H ASN A 25 1.732 3.412 -7.831 1.00 9.43 H new ATOM 0 HA ASN A 25 0.589 1.320 -9.408 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.507 1.996 -8.827 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.978 0.787 -9.981 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.571 3.951 -11.834 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.531 2.761 -10.949 1.00 24.70 H new ATOM 401 N VAL A 26 1.903 0.415 -6.581 1.00 6.52 N ATOM 402 CA VAL A 26 1.635 -0.583 -5.536 1.00 5.53 C ATOM 403 C VAL A 26 0.201 -0.875 -5.316 1.00 4.42 C ATOM 404 O VAL A 26 -0.286 -1.991 -5.318 1.00 3.40 O ATOM 405 CB VAL A 26 2.351 -0.238 -4.239 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.148 -1.399 -3.183 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.896 -0.066 -4.533 1.00 8.12 C ATOM 0 H VAL A 26 2.499 1.185 -6.276 1.00 6.52 H new ATOM 0 HA VAL A 26 2.051 -1.515 -5.918 1.00 5.53 H new ATOM 0 HB VAL A 26 1.941 0.688 -3.836 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.664 -1.143 -2.258 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.084 -1.526 -2.982 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.556 -2.328 -3.581 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.417 0.182 -3.608 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.295 -0.996 -4.937 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.042 0.736 -5.257 1.00 8.12 H new ATOM 417 N LYS A 27 -0.635 0.162 -5.041 1.00 2.64 N ATOM 418 CA LYS A 27 -2.079 -0.017 -4.890 1.00 4.14 C ATOM 419 C LYS A 27 -2.775 -0.651 -6.101 1.00 5.58 C ATOM 420 O LYS A 27 -3.783 -1.308 -6.004 1.00 4.11 O ATOM 421 CB LYS A 27 -2.858 1.261 -4.417 1.00 3.97 C ATOM 422 CG LYS A 27 -2.511 1.840 -3.120 1.00 7.45 C ATOM 423 CD LYS A 27 -3.128 3.250 -2.902 1.00 9.02 C ATOM 424 CE LYS A 27 -2.892 3.754 -1.482 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.423 5.093 -1.343 1.00 15.47 N ATOM 0 H LYS A 27 -0.320 1.125 -4.922 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.130 -0.738 -4.075 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.722 2.033 -5.174 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.920 1.016 -4.399 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.852 1.174 -2.328 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.426 1.907 -3.036 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.694 3.952 -3.614 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.199 3.214 -3.102 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.371 3.087 -0.765 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.825 3.751 -1.258 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.933 5.582 -0.567 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.278 5.618 -2.229 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.440 5.043 -1.133 1.00 15.47 H new ATOM 439 N ALA A 28 -2.264 -0.539 -7.352 1.00 6.61 N ATOM 440 CA ALA A 28 -2.736 -1.132 -8.605 1.00 7.74 C ATOM 441 C ALA A 28 -2.515 -2.639 -8.493 1.00 9.17 C ATOM 442 O ALA A 28 -3.302 -3.434 -9.010 1.00 11.45 O ATOM 443 CB ALA A 28 -2.019 -0.567 -9.886 1.00 7.68 C ATOM 0 H ALA A 28 -1.430 0.026 -7.512 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.788 -0.878 -8.736 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.422 -1.054 -10.774 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.188 0.508 -9.954 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.949 -0.762 -9.820 1.00 7.68 H new ATOM 449 N LYS A 29 -1.456 -3.115 -7.814 1.00 8.96 N ATOM 450 CA LYS A 29 -1.167 -4.510 -7.489 1.00 7.90 C ATOM 451 C LYS A 29 -2.149 -5.075 -6.533 1.00 6.92 C ATOM 452 O LYS A 29 -2.600 -6.218 -6.726 1.00 6.87 O ATOM 453 CB LYS A 29 0.217 -4.727 -6.940 1.00 10.28 C ATOM 454 CG LYS A 29 1.189 -4.250 -8.058 1.00 14.94 C ATOM 455 CD LYS A 29 2.585 -4.301 -7.461 1.00 19.69 C ATOM 456 CE LYS A 29 3.685 -3.592 -8.257 1.00 22.63 C ATOM 457 NZ LYS A 29 3.993 -4.224 -9.530 1.00 24.98 N ATOM 0 H LYS A 29 -0.735 -2.488 -7.457 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.239 -5.031 -8.444 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.368 -4.160 -6.021 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.383 -5.777 -6.698 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.118 -4.893 -8.935 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.942 -3.239 -8.383 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.548 -3.864 -6.463 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.869 -5.347 -7.340 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.381 -2.561 -8.439 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.591 -3.555 -7.652 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.745 -3.689 -10.010 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.314 -5.199 -9.365 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.141 -4.236 -10.127 1.00 24.98 H new ATOM 471 N ILE A 30 -2.622 -4.315 -5.508 1.00 4.57 N ATOM 472 CA ILE A 30 -3.745 -4.646 -4.639 1.00 5.58 C ATOM 473 C ILE A 30 -5.088 -4.574 -5.365 1.00 7.26 C ATOM 474 O ILE A 30 -6.014 -5.370 -5.159 1.00 9.46 O ATOM 475 CB ILE A 30 -3.794 -3.783 -3.356 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.451 -3.845 -2.611 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.925 -4.416 -2.429 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.332 -2.785 -1.480 1.00 2.00 C ATOM 0 H ILE A 30 -2.200 -3.418 -5.269 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.571 -5.679 -4.339 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.999 -2.742 -3.604 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.325 -4.840 -2.183 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.640 -3.700 -3.324 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.002 -3.842 -1.505 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.881 -4.391 -2.952 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.667 -5.449 -2.194 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.362 -2.880 -0.992 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.427 -1.786 -1.906 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.123 -2.944 -0.748 1.00 2.00 H new ATOM 490 N GLN A 31 -5.249 -3.708 -6.403 1.00 7.06 N ATOM 491 CA GLN A 31 -6.414 -3.749 -7.267 1.00 8.67 C ATOM 492 C GLN A 31 -6.515 -5.020 -8.080 1.00 10.90 C ATOM 493 O GLN A 31 -7.556 -5.658 -8.146 1.00 9.63 O ATOM 494 CB GLN A 31 -6.429 -2.408 -8.074 1.00 9.12 C ATOM 495 CG GLN A 31 -7.712 -2.241 -8.887 1.00 10.76 C ATOM 496 CD GLN A 31 -7.694 -0.878 -9.581 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.682 -0.317 -10.062 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.861 -0.232 -9.728 1.00 14.76 N ATOM 0 H GLN A 31 -4.575 -2.981 -6.644 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.335 -3.805 -6.687 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.325 -1.570 -7.385 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.570 -2.379 -8.744 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.795 -3.038 -9.626 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.582 -2.319 -8.235 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.720 -0.639 -9.357 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.889 0.666 -10.211 1.00 14.76 H new ATOM 507 N ASP A 32 -5.429 -5.530 -8.618 1.00 10.93 N ATOM 508 CA ASP A 32 -5.339 -6.812 -9.216 1.00 14.01 C ATOM 509 C ASP A 32 -5.591 -7.963 -8.278 1.00 14.04 C ATOM 510 O ASP A 32 -6.144 -8.979 -8.718 1.00 13.39 O ATOM 511 CB ASP A 32 -3.925 -6.791 -9.910 1.00 18.01 C ATOM 512 CG ASP A 32 -3.711 -7.896 -10.894 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.467 -7.919 -11.906 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.834 -8.808 -10.737 1.00 25.17 O ATOM 0 H ASP A 32 -4.546 -5.021 -8.643 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.135 -6.995 -9.937 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.796 -5.836 -10.419 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.154 -6.849 -9.142 1.00 18.01 H new ATOM 519 N LYS A 33 -5.132 -7.909 -6.976 1.00 14.22 N ATOM 520 CA LYS A 33 -5.327 -8.998 -6.019 1.00 14.00 C ATOM 521 C LYS A 33 -6.742 -8.958 -5.442 1.00 12.37 C ATOM 522 O LYS A 33 -7.276 -10.050 -5.249 1.00 12.17 O ATOM 523 CB LYS A 33 -4.359 -8.832 -4.798 1.00 18.62 C ATOM 524 CG LYS A 33 -2.879 -9.103 -5.142 1.00 24.00 C ATOM 525 CD LYS A 33 -2.556 -10.581 -5.070 1.00 27.61 C ATOM 526 CE LYS A 33 -1.069 -10.839 -5.331 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.680 -12.129 -4.667 1.00 30.06 N ATOM 0 H LYS A 33 -4.627 -7.110 -6.593 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.141 -9.930 -6.553 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.453 -7.819 -4.406 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.669 -9.511 -4.004 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.663 -8.730 -6.143 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.237 -8.555 -4.452 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.827 -10.967 -4.088 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.155 -11.122 -5.802 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.877 -10.893 -6.403 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.469 -10.017 -4.941 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.329 -12.316 -4.837 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.852 -12.058 -3.644 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.247 -12.907 -5.060 1.00 30.06 H new ATOM 541 N GLU A 34 -7.324 -7.812 -5.130 1.00 10.11 N ATOM 542 CA GLU A 34 -8.580 -7.656 -4.383 1.00 10.07 C ATOM 543 C GLU A 34 -9.704 -6.956 -5.131 1.00 9.32 C ATOM 544 O GLU A 34 -10.859 -6.971 -4.611 1.00 11.61 O ATOM 545 CB GLU A 34 -8.353 -6.958 -3.015 1.00 14.77 C ATOM 546 CG GLU A 34 -7.550 -7.896 -2.084 1.00 18.75 C ATOM 547 CD GLU A 34 -8.350 -9.170 -1.762 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.301 -10.236 -2.414 1.00 21.95 O ATOM 549 OE2 GLU A 34 -9.068 -9.134 -0.673 1.00 25.19 O ATOM 0 H GLU A 34 -6.920 -6.915 -5.400 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.914 -8.682 -4.231 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.814 -6.021 -3.158 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.311 -6.708 -2.559 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.606 -8.165 -2.559 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.304 -7.373 -1.160 1.00 18.75 H new ATOM 556 N GLY A 35 -9.443 -6.307 -6.264 1.00 7.22 N ATOM 557 CA GLY A 35 -10.431 -5.487 -7.009 1.00 6.29 C ATOM 558 C GLY A 35 -10.589 -4.114 -6.404 1.00 6.93 C ATOM 559 O GLY A 35 -11.492 -3.370 -6.825 1.00 7.41 O ATOM 0 H GLY A 35 -8.525 -6.329 -6.709 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.115 -5.392 -8.048 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.395 -5.995 -7.014 1.00 6.29 H new ATOM 563 N ILE A 36 -9.790 -3.671 -5.397 1.00 5.86 N ATOM 564 CA ILE A 36 -10.127 -2.413 -4.699 1.00 6.07 C ATOM 565 C ILE A 36 -9.503 -1.174 -5.476 1.00 6.36 C ATOM 566 O ILE A 36 -8.322 -1.268 -5.809 1.00 6.18 O ATOM 567 CB ILE A 36 -9.468 -2.357 -3.285 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.705 -3.714 -2.531 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.070 -1.112 -2.527 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.135 -3.743 -1.170 1.00 9.49 C ATOM 0 H ILE A 36 -8.949 -4.143 -5.066 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.215 -2.375 -4.641 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.387 -2.232 -3.347 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.777 -3.904 -2.471 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.270 -4.525 -3.115 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.629 -1.044 -1.532 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.847 -0.203 -3.086 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.150 -1.228 -2.438 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.338 -4.711 -0.711 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.058 -3.585 -1.223 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.588 -2.954 -0.569 1.00 9.49 H new ATOM 582 N PRO A 37 -10.172 -0.121 -5.820 1.00 8.65 N ATOM 583 CA PRO A 37 -9.574 1.101 -6.454 1.00 9.18 C ATOM 584 C PRO A 37 -8.553 1.879 -5.684 1.00 9.85 C ATOM 585 O PRO A 37 -8.718 1.966 -4.497 1.00 8.51 O ATOM 586 CB PRO A 37 -10.836 1.916 -6.819 1.00 11.42 C ATOM 587 CG PRO A 37 -12.075 0.998 -6.701 1.00 9.27 C ATOM 588 CD PRO A 37 -11.614 0.003 -5.642 1.00 8.33 C ATOM 0 HA PRO A 37 -8.936 0.822 -7.293 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.937 2.773 -6.153 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.752 2.308 -7.833 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.964 1.546 -6.390 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.316 0.510 -7.645 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.856 0.357 -4.640 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.109 -0.960 -5.768 1.00 8.33 H new ATOM 596 N PRO A 38 -7.435 2.467 -6.211 1.00 8.71 N ATOM 597 CA PRO A 38 -6.347 3.071 -5.403 1.00 9.08 C ATOM 598 C PRO A 38 -6.783 4.218 -4.563 1.00 9.28 C ATOM 599 O PRO A 38 -6.195 4.462 -3.488 1.00 6.50 O ATOM 600 CB PRO A 38 -5.235 3.436 -6.350 1.00 10.31 C ATOM 601 CG PRO A 38 -5.403 2.426 -7.513 1.00 10.81 C ATOM 602 CD PRO A 38 -6.915 2.097 -7.529 1.00 12.00 C ATOM 0 HA PRO A 38 -6.001 2.341 -4.671 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.325 4.466 -6.697 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.258 3.343 -5.876 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.081 2.856 -8.461 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.804 1.530 -7.350 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.424 2.652 -8.317 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.079 1.038 -7.728 1.00 12.00 H new ATOM 610 N ASP A 39 -7.755 5.024 -5.017 1.00 11.20 N ATOM 611 CA ASP A 39 -8.437 5.946 -4.134 1.00 14.96 C ATOM 612 C ASP A 39 -9.140 5.452 -2.916 1.00 13.99 C ATOM 613 O ASP A 39 -9.119 6.127 -1.865 1.00 13.75 O ATOM 614 CB ASP A 39 -9.465 6.811 -4.926 1.00 24.16 C ATOM 615 CG ASP A 39 -8.752 7.376 -6.126 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.490 6.590 -7.057 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.372 8.537 -6.068 1.00 34.22 O ATOM 0 H ASP A 39 -8.075 5.047 -5.985 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.576 6.486 -3.741 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.317 6.206 -5.236 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.855 7.613 -4.299 1.00 24.16 H new ATOM 622 N GLN A 40 -9.661 4.207 -2.939 1.00 11.60 N ATOM 623 CA GLN A 40 -10.438 3.697 -1.814 1.00 10.76 C ATOM 624 C GLN A 40 -9.558 2.991 -0.811 1.00 8.01 C ATOM 625 O GLN A 40 -10.042 2.303 0.071 1.00 8.96 O ATOM 626 CB GLN A 40 -11.582 2.785 -2.209 1.00 11.14 C ATOM 627 CG GLN A 40 -12.501 3.534 -3.203 1.00 14.85 C ATOM 628 CD GLN A 40 -13.682 2.723 -3.709 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.969 1.612 -3.340 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.542 3.301 -4.600 1.00 18.16 N ATOM 0 H GLN A 40 -9.555 3.554 -3.715 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.882 4.584 -1.362 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.197 1.873 -2.666 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.147 2.485 -1.326 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.877 4.436 -2.720 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -11.905 3.855 -4.057 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.357 4.240 -4.952 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.369 2.793 -4.913 1.00 18.16 H new ATOM 639 N GLN A 41 -8.256 3.098 -1.006 1.00 6.52 N ATOM 640 CA GLN A 41 -7.194 2.458 -0.287 1.00 3.87 C ATOM 641 C GLN A 41 -6.385 3.513 0.339 1.00 4.79 C ATOM 642 O GLN A 41 -5.891 4.398 -0.397 1.00 6.34 O ATOM 643 CB GLN A 41 -6.235 1.668 -1.214 1.00 4.20 C ATOM 644 CG GLN A 41 -6.864 0.445 -1.990 1.00 3.20 C ATOM 645 CD GLN A 41 -5.775 -0.278 -2.815 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.707 -0.641 -2.298 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.107 -0.489 -4.076 1.00 7.13 N ATOM 0 H GLN A 41 -7.891 3.697 -1.747 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.646 1.767 0.424 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.819 2.360 -1.946 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.403 1.301 -0.613 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.317 -0.250 -1.283 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.659 0.793 -2.649 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.006 -0.159 -4.429 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.465 -0.982 -4.697 1.00 7.13 H new ATOM 656 N ARG A 42 -6.201 3.365 1.683 1.00 5.73 N ATOM 657 CA ARG A 42 -5.228 4.078 2.439 1.00 6.97 C ATOM 658 C ARG A 42 -4.181 3.061 2.828 1.00 7.15 C ATOM 659 O ARG A 42 -4.467 1.940 3.215 1.00 7.33 O ATOM 660 CB ARG A 42 -5.862 4.760 3.656 1.00 13.23 C ATOM 661 CG ARG A 42 -6.761 5.962 3.434 1.00 21.27 C ATOM 662 CD ARG A 42 -7.362 6.521 4.682 1.00 26.14 C ATOM 663 NE ARG A 42 -7.920 7.915 4.375 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.537 8.750 5.209 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.719 8.428 6.511 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.990 9.957 4.833 1.00 36.39 N ATOM 0 H ARG A 42 -6.757 2.723 2.247 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.780 4.887 1.862 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.442 4.008 4.191 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.054 5.070 4.319 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.185 6.745 2.940 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.564 5.679 2.753 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.155 5.868 5.045 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.611 6.579 5.470 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.805 8.243 3.416 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.381 7.534 6.867 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.194 9.080 7.136 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.868 10.270 3.870 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.457 10.560 5.510 1.00 36.39 H new ATOM 680 N LEU A 43 -2.889 3.411 2.666 1.00 4.65 N ATOM 681 CA LEU A 43 -1.761 2.545 3.033 1.00 3.51 C ATOM 682 C LEU A 43 -0.868 3.171 4.092 1.00 5.56 C ATOM 683 O LEU A 43 -0.219 4.151 3.878 1.00 4.19 O ATOM 684 CB LEU A 43 -0.868 2.114 1.866 1.00 3.74 C ATOM 685 CG LEU A 43 -1.423 0.935 1.014 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.582 0.531 -0.213 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.683 -0.336 1.940 1.00 6.41 C ATOM 0 H LEU A 43 -2.602 4.308 2.274 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.258 1.656 3.422 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.710 2.972 1.213 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.108 1.830 2.260 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.354 1.316 0.595 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.066 -0.299 -0.728 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.497 1.380 -0.892 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.413 0.226 0.112 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.071 -1.155 1.334 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.748 -0.643 2.408 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.409 -0.081 2.712 1.00 6.41 H new ATOM 699 N ILE A 44 -0.900 2.615 5.338 1.00 4.58 N ATOM 700 CA ILE A 44 -0.160 3.183 6.445 1.00 5.55 C ATOM 701 C ILE A 44 1.054 2.330 6.737 1.00 5.46 C ATOM 702 O ILE A 44 0.969 1.162 6.825 1.00 6.04 O ATOM 703 CB ILE A 44 -1.080 3.258 7.701 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.155 4.422 7.627 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.233 3.520 8.918 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.172 4.366 6.547 1.00 13.90 C ATOM 0 H ILE A 44 -1.435 1.779 5.574 1.00 4.58 H new ATOM 0 HA ILE A 44 0.171 4.189 6.186 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.607 2.305 7.750 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.682 4.450 8.581 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.618 5.366 7.531 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.871 3.574 9.800 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.488 2.712 9.040 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.297 4.464 8.796 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.835 5.227 6.627 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.674 4.380 5.577 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.755 3.450 6.643 1.00 13.90 H new ATOM 718 N PHE A 45 2.231 2.999 7.011 1.00 6.75 N ATOM 719 CA PHE A 45 3.447 2.358 7.352 1.00 4.70 C ATOM 720 C PHE A 45 4.113 3.033 8.510 1.00 6.34 C ATOM 721 O PHE A 45 4.548 4.199 8.453 1.00 5.45 O ATOM 722 CB PHE A 45 4.405 2.318 6.117 1.00 5.51 C ATOM 723 CG PHE A 45 5.735 1.710 6.297 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.825 0.320 6.426 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.990 2.434 6.277 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.057 -0.319 6.550 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.205 1.795 6.416 1.00 6.64 C ATOM 728 CZ PHE A 45 8.249 0.423 6.574 1.00 6.84 C ATOM 0 H PHE A 45 2.305 4.016 6.986 1.00 6.75 H new ATOM 0 HA PHE A 45 3.215 1.336 7.651 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.897 1.780 5.317 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.549 3.342 5.772 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.921 -0.270 6.430 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.974 3.506 6.149 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.096 -1.395 6.628 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.121 2.367 6.401 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.196 -0.077 6.715 1.00 6.84 H new ATOM 738 N ALA A 46 4.153 2.413 9.682 1.00 6.53 N ATOM 739 CA ALA A 46 4.662 2.981 10.940 1.00 7.15 C ATOM 740 C ALA A 46 3.984 4.263 11.345 1.00 9.00 C ATOM 741 O ALA A 46 4.579 5.298 11.652 1.00 11.15 O ATOM 742 CB ALA A 46 6.210 3.188 10.866 1.00 8.99 C ATOM 0 H ALA A 46 3.818 1.456 9.795 1.00 6.53 H new ATOM 0 HA ALA A 46 4.425 2.251 11.714 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.566 3.609 11.806 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.697 2.229 10.690 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.447 3.871 10.050 1.00 8.99 H new ATOM 748 N GLY A 47 2.621 4.259 11.347 1.00 9.35 N ATOM 749 CA GLY A 47 1.754 5.298 11.780 1.00 11.68 C ATOM 750 C GLY A 47 1.658 6.450 10.878 1.00 11.14 C ATOM 751 O GLY A 47 1.080 7.499 11.203 1.00 13.93 O ATOM 0 H GLY A 47 2.099 3.449 11.013 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.756 4.882 11.919 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.092 5.648 12.755 1.00 11.68 H new ATOM 755 N LYS A 48 2.176 6.321 9.712 1.00 10.47 N ATOM 756 CA LYS A 48 2.152 7.301 8.629 1.00 8.82 C ATOM 757 C LYS A 48 1.475 6.782 7.388 1.00 7.68 C ATOM 758 O LYS A 48 1.965 5.848 6.797 1.00 6.47 O ATOM 759 CB LYS A 48 3.585 7.769 8.409 1.00 9.74 C ATOM 760 CG LYS A 48 3.778 8.850 7.308 1.00 14.14 C ATOM 761 CD LYS A 48 5.226 9.438 7.241 1.00 16.32 C ATOM 762 CE LYS A 48 5.476 10.657 8.140 1.00 20.04 C ATOM 763 NZ LYS A 48 4.530 11.745 7.739 1.00 23.92 N ATOM 0 H LYS A 48 2.672 5.471 9.445 1.00 10.47 H new ATOM 0 HA LYS A 48 1.538 8.158 8.904 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.968 8.163 9.350 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.196 6.903 8.154 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.528 8.417 6.340 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.074 9.663 7.485 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.933 8.654 7.513 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.441 9.717 6.209 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.327 10.392 9.187 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.507 10.996 8.040 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.938 12.669 7.988 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.368 11.703 6.713 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.626 11.620 8.237 1.00 23.92 H new ATOM 777 N GLN A 49 0.495 7.509 6.885 1.00 8.89 N ATOM 778 CA GLN A 49 0.006 7.324 5.538 1.00 7.18 C ATOM 779 C GLN A 49 1.065 7.522 4.403 1.00 8.23 C ATOM 780 O GLN A 49 1.708 8.558 4.336 1.00 9.70 O ATOM 781 CB GLN A 49 -1.276 8.163 5.450 1.00 11.67 C ATOM 782 CG GLN A 49 -2.329 7.841 4.311 1.00 15.82 C ATOM 783 CD GLN A 49 -3.710 8.583 4.529 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.283 8.296 5.586 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.286 9.309 3.561 1.00 20.67 N ATOM 0 H GLN A 49 0.016 8.246 7.403 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.229 6.278 5.343 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.791 8.079 6.407 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.979 9.206 5.338 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.914 8.131 3.346 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.501 6.765 4.274 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.771 9.519 2.706 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.240 9.651 3.679 1.00 20.67 H new ATOM 794 N LEU A 50 1.109 6.552 3.482 1.00 6.51 N ATOM 795 CA LEU A 50 1.871 6.600 2.217 1.00 7.41 C ATOM 796 C LEU A 50 1.127 7.317 1.115 1.00 8.27 C ATOM 797 O LEU A 50 0.155 6.742 0.600 1.00 8.34 O ATOM 798 CB LEU A 50 2.327 5.206 1.737 1.00 7.13 C ATOM 799 CG LEU A 50 2.955 4.270 2.788 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.236 2.884 2.214 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.226 4.770 3.498 1.00 9.11 C ATOM 0 H LEU A 50 0.597 5.677 3.596 1.00 6.51 H new ATOM 0 HA LEU A 50 2.765 7.179 2.448 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.464 4.699 1.305 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.050 5.345 0.933 1.00 7.13 H new ATOM 0 HG LEU A 50 2.181 4.239 3.555 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.678 2.254 2.985 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.303 2.437 1.870 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.927 2.971 1.376 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.564 4.018 4.211 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.008 4.949 2.760 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.007 5.698 4.026 1.00 9.11 H new ATOM 813 N GLU A 51 1.551 8.547 0.671 1.00 9.43 N ATOM 814 CA GLU A 51 0.910 9.249 -0.438 1.00 11.90 C ATOM 815 C GLU A 51 1.156 8.656 -1.885 1.00 11.49 C ATOM 816 O GLU A 51 2.236 8.097 -2.142 1.00 9.88 O ATOM 817 CB GLU A 51 1.421 10.740 -0.487 1.00 16.56 C ATOM 818 CG GLU A 51 0.817 11.493 0.741 1.00 26.06 C ATOM 819 CD GLU A 51 1.269 12.993 0.792 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.721 13.795 -0.028 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.172 13.363 1.570 1.00 32.13 O ATOM 0 H GLU A 51 2.337 9.052 1.081 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.153 9.144 -0.223 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.510 10.772 -0.456 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.114 11.218 -1.417 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.271 11.444 0.697 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.122 10.991 1.659 1.00 26.06 H new ATOM 828 N ASP A 52 0.112 8.703 -2.712 1.00 12.71 N ATOM 829 CA ASP A 52 -0.113 7.970 -3.944 1.00 16.56 C ATOM 830 C ASP A 52 0.937 8.243 -4.988 1.00 15.83 C ATOM 831 O ASP A 52 1.452 7.309 -5.572 1.00 17.21 O ATOM 832 CB ASP A 52 -1.540 8.200 -4.486 1.00 21.05 C ATOM 833 CG ASP A 52 -2.508 7.821 -3.440 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.761 8.711 -2.570 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.172 6.787 -3.489 1.00 28.37 O ATOM 0 H ASP A 52 -0.674 9.321 -2.509 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.022 6.912 -3.697 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.675 9.245 -4.765 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.703 7.606 -5.385 1.00 21.05 H new ATOM 840 N GLY A 53 1.352 9.509 -5.220 1.00 15.00 N ATOM 841 CA GLY A 53 2.421 9.861 -6.109 1.00 11.77 C ATOM 842 C GLY A 53 3.787 10.002 -5.466 1.00 11.10 C ATOM 843 O GLY A 53 4.495 10.989 -5.606 1.00 11.25 O ATOM 0 H GLY A 53 0.924 10.318 -4.769 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.484 9.104 -6.891 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.169 10.803 -6.596 1.00 11.77 H new ATOM 847 N ARG A 54 4.114 9.010 -4.663 1.00 8.53 N ATOM 848 CA ARG A 54 5.480 8.912 -4.134 1.00 9.05 C ATOM 849 C ARG A 54 5.824 7.444 -4.388 1.00 8.96 C ATOM 850 O ARG A 54 4.977 6.723 -4.812 1.00 11.60 O ATOM 851 CB ARG A 54 5.587 9.245 -2.663 1.00 7.97 C ATOM 852 CG ARG A 54 5.216 10.684 -2.230 1.00 9.62 C ATOM 853 CD ARG A 54 6.268 11.759 -2.561 1.00 12.20 C ATOM 854 NE ARG A 54 5.790 13.111 -2.133 1.00 18.23 N ATOM 855 CZ ARG A 54 6.597 14.157 -1.902 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.869 14.190 -2.210 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.066 15.213 -1.337 1.00 23.38 N ATOM 0 H ARG A 54 3.478 8.272 -4.362 1.00 8.53 H new ATOM 0 HA ARG A 54 6.153 9.626 -4.608 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.949 8.553 -2.114 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.612 9.052 -2.348 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.276 10.959 -2.708 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.041 10.689 -1.154 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.207 11.524 -2.060 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.470 11.761 -3.632 1.00 12.20 H new ATOM 0 HE ARG A 54 4.787 13.246 -2.009 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.307 13.384 -2.656 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.422 15.022 -2.004 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.076 15.217 -1.091 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.643 16.032 -1.143 1.00 23.38 H new ATOM 871 N THR A 55 7.090 7.094 -4.253 1.00 9.05 N ATOM 872 CA THR A 55 7.556 5.713 -4.436 1.00 9.03 C ATOM 873 C THR A 55 7.761 5.051 -3.090 1.00 8.15 C ATOM 874 O THR A 55 7.793 5.614 -1.989 1.00 5.91 O ATOM 875 CB THR A 55 8.844 5.541 -5.191 1.00 11.15 C ATOM 876 OG1 THR A 55 9.961 6.175 -4.565 1.00 11.95 O ATOM 877 CG2 THR A 55 8.818 6.206 -6.562 1.00 11.71 C ATOM 0 H THR A 55 7.832 7.752 -4.014 1.00 9.05 H new ATOM 0 HA THR A 55 6.766 5.259 -5.034 1.00 9.03 H new ATOM 0 HB THR A 55 8.945 4.457 -5.236 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.816 7.144 -4.541 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.774 6.049 -7.061 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.020 5.770 -7.163 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.641 7.275 -6.444 1.00 11.71 H new ATOM 885 N LEU A 56 7.852 3.726 -3.050 1.00 6.91 N ATOM 886 CA LEU A 56 8.254 3.029 -1.861 1.00 8.29 C ATOM 887 C LEU A 56 9.651 3.447 -1.283 1.00 8.05 C ATOM 888 O LEU A 56 9.864 3.564 -0.070 1.00 10.17 O ATOM 889 CB LEU A 56 8.347 1.598 -2.240 1.00 6.60 C ATOM 890 CG LEU A 56 6.902 0.931 -2.318 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.197 -0.507 -2.874 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.166 0.818 -0.979 1.00 8.64 C ATOM 0 H LEU A 56 7.648 3.119 -3.844 1.00 6.91 H new ATOM 0 HA LEU A 56 7.524 3.260 -1.085 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.846 1.506 -3.205 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.958 1.065 -1.512 1.00 6.60 H new ATOM 0 HG LEU A 56 6.241 1.545 -2.930 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.262 -1.059 -2.968 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.672 -0.429 -3.852 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.862 -1.033 -2.189 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.193 0.352 -1.137 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.753 0.209 -0.291 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.027 1.813 -0.555 1.00 8.64 H new ATOM 904 N SER A 57 10.668 3.777 -2.158 1.00 8.92 N ATOM 905 CA SER A 57 11.982 4.350 -1.696 1.00 9.00 C ATOM 906 C SER A 57 11.760 5.661 -0.883 1.00 9.44 C ATOM 907 O SER A 57 12.465 5.848 0.103 1.00 10.91 O ATOM 908 CB SER A 57 12.911 4.690 -2.869 1.00 10.32 C ATOM 909 OG SER A 57 14.217 5.040 -2.375 1.00 13.59 O ATOM 0 H SER A 57 10.601 3.657 -3.169 1.00 8.92 H new ATOM 0 HA SER A 57 12.444 3.581 -1.077 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.985 3.838 -3.545 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.496 5.518 -3.444 1.00 10.32 H new ATOM 0 HG SER A 57 14.805 5.254 -3.129 1.00 13.59 H new ATOM 915 N ASP A 58 10.767 6.533 -1.164 1.00 9.11 N ATOM 916 CA ASP A 58 10.457 7.802 -0.442 1.00 7.91 C ATOM 917 C ASP A 58 10.225 7.541 1.037 1.00 9.12 C ATOM 918 O ASP A 58 10.531 8.348 1.913 1.00 8.61 O ATOM 919 CB ASP A 58 9.335 8.578 -1.224 1.00 8.41 C ATOM 920 CG ASP A 58 9.769 9.116 -2.543 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.564 10.061 -2.520 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.408 8.573 -3.625 1.00 11.70 O ATOM 0 H ASP A 58 10.123 6.369 -1.938 1.00 9.11 H new ATOM 0 HA ASP A 58 11.307 8.484 -0.432 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.487 7.910 -1.378 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.982 9.404 -0.606 1.00 8.41 H new ATOM 927 N TYR A 59 9.573 6.431 1.348 1.00 7.97 N ATOM 928 CA TYR A 59 9.162 6.126 2.729 1.00 8.45 C ATOM 929 C TYR A 59 10.061 5.086 3.372 1.00 10.98 C ATOM 930 O TYR A 59 9.921 4.832 4.533 1.00 12.95 O ATOM 931 CB TYR A 59 7.746 5.611 2.734 1.00 7.94 C ATOM 932 CG TYR A 59 6.816 6.735 2.405 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.520 7.596 3.434 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.260 6.876 1.137 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.590 8.663 3.143 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.388 7.916 0.852 1.00 6.52 C ATOM 937 CZ TYR A 59 5.044 8.835 1.865 1.00 6.76 C ATOM 938 OH TYR A 59 4.218 9.944 1.508 1.00 7.63 O ATOM 0 H TYR A 59 9.312 5.718 0.667 1.00 7.97 H new ATOM 0 HA TYR A 59 9.239 7.049 3.304 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.636 4.807 2.007 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.501 5.194 3.711 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.961 7.481 4.413 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.511 6.165 0.364 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.309 9.345 3.931 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.975 8.022 -0.140 1.00 6.52 H new ATOM 0 HH TYR A 59 4.753 10.609 1.026 1.00 7.63 H new ATOM 948 N ASN A 60 11.019 4.599 2.651 1.00 12.38 N ATOM 949 CA ASN A 60 12.056 3.729 3.172 1.00 13.94 C ATOM 950 C ASN A 60 11.582 2.319 3.322 1.00 14.16 C ATOM 951 O ASN A 60 12.049 1.598 4.254 1.00 14.26 O ATOM 952 CB ASN A 60 12.820 4.229 4.455 1.00 19.23 C ATOM 953 CG ASN A 60 13.305 5.641 4.183 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.137 5.888 3.308 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.945 6.555 5.082 1.00 24.09 N ATOM 0 H ASN A 60 11.116 4.793 1.654 1.00 12.38 H new ATOM 0 HA ASN A 60 12.820 3.765 2.395 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.161 4.212 5.323 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.661 3.573 4.679 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.360 7.486 5.057 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.254 6.324 5.796 1.00 24.09 H new ATOM 962 N ILE A 61 10.574 1.834 2.576 1.00 11.08 N ATOM 963 CA ILE A 61 10.099 0.520 2.732 1.00 11.78 C ATOM 964 C ILE A 61 11.080 -0.532 2.149 1.00 13.74 C ATOM 965 O ILE A 61 11.605 -0.289 1.073 1.00 14.60 O ATOM 966 CB ILE A 61 8.697 0.378 2.061 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.856 1.558 2.731 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.134 -1.017 2.263 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.384 1.686 2.302 1.00 11.42 C ATOM 0 H ILE A 61 10.090 2.372 1.857 1.00 11.08 H new ATOM 0 HA ILE A 61 10.015 0.326 3.801 1.00 11.78 H new ATOM 0 HB ILE A 61 8.696 0.476 0.975 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.885 1.425 3.812 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.358 2.501 2.512 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.157 -1.088 1.785 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.809 -1.749 1.819 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.032 -1.217 3.330 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.924 2.523 2.827 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.332 1.859 1.227 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.852 0.767 2.548 1.00 11.42 H new ATOM 981 N GLN A 62 11.309 -1.667 2.781 1.00 13.97 N ATOM 982 CA GLN A 62 12.372 -2.681 2.497 1.00 15.52 C ATOM 983 C GLN A 62 11.630 -4.013 2.439 1.00 13.94 C ATOM 984 O GLN A 62 10.412 -4.196 2.786 1.00 12.15 O ATOM 985 CB GLN A 62 13.596 -2.819 3.585 1.00 19.53 C ATOM 986 CG GLN A 62 14.375 -1.512 3.694 1.00 26.38 C ATOM 987 CD GLN A 62 15.418 -1.649 4.723 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.413 -2.530 5.631 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.534 -0.887 4.603 1.00 32.71 N ATOM 0 H GLN A 62 10.727 -1.949 3.570 1.00 13.97 H new ATOM 0 HA GLN A 62 12.879 -2.368 1.584 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.192 -3.089 4.561 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.267 -3.623 3.284 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.827 -1.264 2.734 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.701 -0.694 3.950 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.583 -0.164 3.885 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.324 -1.037 5.231 1.00 32.71 H new ATOM 998 N LYS A 63 12.311 -5.058 1.897 1.00 11.73 N ATOM 999 CA LYS A 63 11.722 -6.368 1.794 1.00 11.97 C ATOM 1000 C LYS A 63 11.232 -6.952 3.127 1.00 10.41 C ATOM 1001 O LYS A 63 11.749 -6.564 4.186 1.00 9.59 O ATOM 1002 CB LYS A 63 12.669 -7.341 1.008 1.00 13.73 C ATOM 1003 CG LYS A 63 13.728 -7.996 1.892 1.00 16.98 C ATOM 1004 CD LYS A 63 14.787 -8.699 1.137 1.00 20.19 C ATOM 1005 CE LYS A 63 15.771 -9.418 2.085 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.877 -10.010 1.321 1.00 25.97 N ATOM 0 H LYS A 63 13.262 -4.993 1.534 1.00 11.73 H new ATOM 0 HA LYS A 63 10.806 -6.248 1.215 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.069 -8.118 0.535 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.163 -6.789 0.208 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.188 -7.231 2.518 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.241 -8.705 2.561 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.334 -9.425 0.462 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.331 -7.985 0.519 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.163 -8.712 2.817 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.248 -10.196 2.641 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.531 -10.490 1.972 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.499 -10.699 0.640 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.386 -9.261 0.810 1.00 25.97 H new ATOM 1020 N GLU A 64 10.181 -7.819 3.084 1.00 10.04 N ATOM 1021 CA GLU A 64 9.538 -8.391 4.244 1.00 10.94 C ATOM 1022 C GLU A 64 8.867 -7.423 5.230 1.00 9.74 C ATOM 1023 O GLU A 64 8.722 -7.736 6.413 1.00 9.42 O ATOM 1024 CB GLU A 64 10.419 -9.452 4.986 1.00 18.31 C ATOM 1025 CG GLU A 64 10.895 -10.528 4.005 1.00 24.16 C ATOM 1026 CD GLU A 64 11.680 -11.512 4.783 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.657 -10.998 5.367 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.396 -12.730 4.911 1.00 32.61 O ATOM 0 H GLU A 64 9.766 -8.131 2.206 1.00 10.04 H new ATOM 0 HA GLU A 64 8.695 -8.906 3.783 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.278 -8.964 5.446 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.846 -9.912 5.791 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.046 -11.010 3.520 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.504 -10.087 3.216 1.00 24.16 H new ATOM 1035 N SER A 65 8.515 -6.182 4.756 1.00 6.85 N ATOM 1036 CA SER A 65 7.933 -5.133 5.644 1.00 6.90 C ATOM 1037 C SER A 65 6.470 -5.358 5.763 1.00 4.72 C ATOM 1038 O SER A 65 5.873 -5.947 4.864 1.00 3.91 O ATOM 1039 CB SER A 65 7.931 -3.691 5.064 1.00 7.28 C ATOM 1040 OG SER A 65 9.259 -3.184 4.921 1.00 10.56 O ATOM 0 H SER A 65 8.624 -5.895 3.783 1.00 6.85 H new ATOM 0 HA SER A 65 8.539 -5.208 6.547 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.433 -3.688 4.095 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.358 -3.035 5.719 1.00 7.28 H new ATOM 0 HG SER A 65 9.662 -3.548 4.105 1.00 10.56 H new ATOM 1046 N THR A 66 5.864 -4.839 6.878 1.00 4.48 N ATOM 1047 CA THR A 66 4.391 -4.839 7.003 1.00 3.80 C ATOM 1048 C THR A 66 3.810 -3.454 6.836 1.00 4.60 C ATOM 1049 O THR A 66 4.195 -2.507 7.536 1.00 5.33 O ATOM 1050 CB THR A 66 3.961 -5.263 8.381 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.546 -6.487 8.790 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.404 -5.579 8.305 1.00 3.40 C ATOM 0 H THR A 66 6.362 -4.432 7.670 1.00 4.48 H new ATOM 0 HA THR A 66 4.041 -5.521 6.228 1.00 3.80 H new ATOM 0 HB THR A 66 4.247 -4.467 9.069 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.234 -6.714 9.691 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.048 -5.892 9.287 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.866 -4.684 7.992 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.230 -6.378 7.584 1.00 3.40 H new ATOM 1060 N LEU A 67 2.873 -3.289 5.890 1.00 4.17 N ATOM 1061 CA LEU A 67 2.117 -2.098 5.518 1.00 3.85 C ATOM 1062 C LEU A 67 0.711 -2.441 5.973 1.00 3.80 C ATOM 1063 O LEU A 67 0.199 -3.570 5.889 1.00 5.54 O ATOM 1064 CB LEU A 67 2.064 -1.938 3.971 1.00 7.18 C ATOM 1065 CG LEU A 67 3.270 -1.296 3.193 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.563 -2.090 3.468 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.903 -1.328 1.717 1.00 11.66 C ATOM 0 H LEU A 67 2.602 -4.080 5.306 1.00 4.17 H new ATOM 0 HA LEU A 67 2.545 -1.190 5.943 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.902 -2.930 3.550 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.179 -1.345 3.739 1.00 7.18 H new ATOM 0 HG LEU A 67 3.454 -0.271 3.515 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.391 -1.636 2.924 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.779 -2.075 4.536 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.434 -3.121 3.138 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.712 -0.891 1.131 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.744 -2.360 1.404 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.989 -0.756 1.557 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.033 -1.418 6.397 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.352 -1.585 6.959 1.00 4.17 C ATOM 1081 C HIS A 68 -2.437 -0.997 5.998 1.00 5.32 C ATOM 1082 O HIS A 68 -2.449 0.221 5.675 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.558 -0.772 8.203 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.592 -1.317 9.264 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.725 -0.961 9.254 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.747 -2.187 10.265 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.328 -1.705 10.222 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.447 -2.428 10.871 1.00 16.30 N ATOM 0 H HIS A 68 0.276 -0.447 6.355 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.438 -2.656 7.140 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.363 0.283 8.010 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.590 -0.848 8.546 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.169 -0.275 8.644 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.686 -2.636 10.553 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.388 -1.700 10.428 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.408 -1.862 5.480 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.433 -1.400 4.540 1.00 3.97 C ATOM 1098 C LEU A 69 -5.663 -0.960 5.374 1.00 5.07 C ATOM 1099 O LEU A 69 -6.241 -1.696 6.123 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.826 -2.555 3.486 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.894 -2.155 2.417 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.354 -1.127 1.351 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.354 -3.401 1.676 1.00 9.96 C ATOM 0 H LEU A 69 -3.470 -2.853 5.715 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.055 -0.564 3.952 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.921 -2.874 2.969 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.197 -3.417 4.040 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.711 -1.677 2.958 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.145 -0.892 0.639 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.036 -0.214 1.854 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.507 -1.563 0.821 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.099 -3.126 0.929 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.501 -3.867 1.183 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.792 -4.104 2.384 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.079 0.272 5.071 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.279 0.900 5.555 1.00 6.26 C ATOM 1117 C VAL A 70 -8.167 1.335 4.364 1.00 9.22 C ATOM 1118 O VAL A 70 -7.616 1.777 3.364 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.978 2.084 6.387 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.170 3.007 6.572 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.594 1.525 7.767 1.00 8.54 C ATOM 0 H VAL A 70 -5.548 0.879 4.446 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.805 0.169 6.170 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.197 2.672 5.905 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.880 3.855 7.192 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.506 3.366 5.599 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.980 2.462 7.057 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.357 2.349 8.440 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.429 0.954 8.173 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.724 0.876 7.667 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.519 0.954 4.275 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.375 1.312 3.253 1.00 16.06 C ATOM 1133 C LEU A 71 -10.880 2.737 3.507 1.00 18.09 C ATOM 1134 O LEU A 71 -11.060 3.179 4.670 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.362 0.221 3.052 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.793 -1.209 2.983 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.002 -2.200 2.725 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.726 -1.410 1.953 1.00 19.57 C ATOM 0 H LEU A 71 -9.968 0.371 4.981 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.900 1.394 2.275 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.088 0.262 3.864 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.906 0.418 2.128 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.298 -1.408 3.934 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.629 -3.223 2.671 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.720 -2.118 3.541 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.490 -1.942 1.785 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.387 -2.445 1.978 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.127 -1.183 0.965 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.887 -0.748 2.165 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.148 3.549 2.442 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.881 4.755 2.723 1.00 25.83 C ATOM 1152 C ARG A 72 -12.856 5.035 1.564 1.00 27.74 C ATOM 1153 O ARG A 72 -12.485 4.974 0.413 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.924 5.943 2.924 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.606 7.281 3.251 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.266 8.244 2.178 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.024 9.572 2.404 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.756 10.614 1.657 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.043 10.520 0.513 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.314 11.827 1.936 1.00 35.02 N ATOM 0 H ARG A 72 -10.882 3.387 1.471 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.444 4.624 3.647 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.231 5.699 3.730 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.329 6.068 2.019 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.686 7.151 3.318 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.269 7.654 4.218 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.191 8.426 2.168 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.528 7.826 1.206 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.733 9.637 3.135 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.692 9.613 0.204 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.855 11.356 -0.041 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.945 11.927 2.731 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.100 12.634 1.350 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.061 5.393 1.934 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.198 5.712 1.107 1.00 30.76 C ATOM 1176 C LEU A 73 -15.126 7.240 0.846 1.00 32.18 C ATOM 1177 O LEU A 73 -14.956 8.013 1.758 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.561 5.305 1.824 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.672 3.750 2.089 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.999 3.478 2.761 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.493 2.864 0.861 1.00 29.11 C ATOM 0 H LEU A 73 -14.292 5.476 2.924 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.175 5.156 0.170 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.641 5.837 2.772 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.401 5.625 1.207 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.834 3.480 2.731 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.097 2.410 2.954 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -18.048 4.023 3.704 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.810 3.805 2.111 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.587 1.817 1.151 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.257 3.106 0.123 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.506 3.034 0.431 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.375 7.594 -0.400 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.943 8.840 -1.060 1.00 35.33 C ATOM 1195 C ARG A 74 -15.736 10.062 -0.580 1.00 36.22 C ATOM 1196 O ARG A 74 -15.303 11.187 -0.608 1.00 36.70 O ATOM 1197 CB ARG A 74 -14.788 8.548 -2.557 1.00 36.91 C ATOM 1198 CG ARG A 74 -13.665 7.542 -2.845 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.399 7.415 -4.333 1.00 39.75 C ATOM 1200 NE ARG A 74 -12.830 8.691 -4.815 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.371 8.882 -6.072 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.351 7.862 -6.924 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -12.032 10.085 -6.442 1.00 41.93 N ATOM 0 H ARG A 74 -15.914 6.995 -1.026 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.951 9.174 -0.758 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -15.729 8.160 -2.948 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -14.583 9.478 -3.086 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -12.754 7.858 -2.337 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -13.935 6.567 -2.438 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -12.708 6.594 -4.526 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.322 7.186 -4.865 1.00 39.75 H new ATOM 0 HE ARG A 74 -12.781 9.473 -4.161 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.681 6.943 -6.628 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.006 7.998 -7.874 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -12.115 10.862 -5.787 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -11.683 10.249 -7.386 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.932 9.780 0.002 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.790 10.744 0.676 1.00 36.07 C ATOM 1219 C GLY A 75 -17.408 11.100 2.086 1.00 36.16 C ATOM 1220 O GLY A 75 -18.076 11.827 2.769 1.00 36.26 O ATOM 0 H GLY A 75 -17.323 8.838 0.005 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.808 11.659 0.084 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.806 10.350 0.685 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.362 10.451 2.617 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.007 10.640 3.979 1.00 36.19 C ATOM 1226 C GLY A 76 -14.490 10.640 4.178 1.00 36.20 C ATOM 1227 O GLY A 76 -13.953 9.603 4.580 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.874 11.764 4.093 1.00 0.00 O ATOM 0 H GLY A 76 -15.767 9.800 2.105 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.420 11.584 4.334 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.453 9.850 4.583 1.00 36.19 H new TER 1232 GLY A 76