USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 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 15 LYS NZ :NH3+ -176:sc= 0.0211 (180deg=-0.229) USER MOD Set 1.2: A 22 SER OG : rot 85:sc= 1.34 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -2.76! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= -0.145 (180deg=-0.145) USER MOD Single : A 24 SER OG : rot 109:sc= -6.43! USER MOD Single : A 28 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.4) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -138:sc= -0.344 (180deg=-1.67) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -149:sc= -0.192 (180deg=-0.883) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -122:sc= -3.21! (180deg=-9.57!) USER MOD Single : A 48 MET CE :methyl -112:sc=-0.00434 (180deg=-0.082) USER MOD Single : A 52 ASN : amide:sc= 0.527 K(o=0.53,f=0) USER MOD Single : A 55 SER OG : rot 70:sc= 0.898 USER MOD Single : A 60 MET CE :methyl -106:sc= -1.09 (180deg=-3.52!) USER MOD Single : A 62 MET CE :methyl 150:sc= -0.0807 (180deg=-1.44) USER MOD Single : A 66 THR OG1 : rot 64:sc= 0.741 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 157:sc= -0.168 (180deg=-0.859) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.513 8.774 3.280 1.00 0.00 N ATOM 2 CA MET A 1 -15.875 8.202 1.954 1.00 0.00 C ATOM 3 C MET A 1 -15.771 9.288 0.883 1.00 0.00 C ATOM 4 O MET A 1 -16.482 10.273 0.914 1.00 0.00 O ATOM 5 CB MET A 1 -17.309 7.670 2.001 1.00 0.00 C ATOM 6 CG MET A 1 -17.530 6.697 0.841 1.00 0.00 C ATOM 7 SD MET A 1 -17.413 4.996 1.450 1.00 0.00 S ATOM 8 CE MET A 1 -19.156 4.794 1.892 1.00 0.00 C ATOM 0 H1 MET A 1 -15.584 8.035 4.008 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.538 9.136 3.248 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.163 9.552 3.512 1.00 0.00 H new ATOM 0 HA MET A 1 -15.192 7.387 1.713 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.491 7.167 2.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.017 8.496 1.937 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.508 6.867 0.391 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.787 6.868 0.062 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.315 3.795 2.298 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.430 5.537 2.641 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.774 4.928 1.004 1.00 0.00 H new ATOM 20 N THR A 2 -14.891 9.120 -0.065 1.00 0.00 N ATOM 21 CA THR A 2 -14.745 10.146 -1.135 1.00 0.00 C ATOM 22 C THR A 2 -14.387 9.461 -2.455 1.00 0.00 C ATOM 23 O THR A 2 -13.395 8.769 -2.558 1.00 0.00 O ATOM 24 CB THR A 2 -13.633 11.127 -0.752 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.198 11.822 -1.912 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.459 10.357 -0.145 1.00 0.00 C ATOM 0 H THR A 2 -14.267 8.317 -0.145 1.00 0.00 H new ATOM 0 HA THR A 2 -15.684 10.687 -1.250 1.00 0.00 H new ATOM 0 HB THR A 2 -14.012 11.841 -0.021 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.487 12.452 -1.669 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.668 11.055 0.127 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.795 9.824 0.745 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.077 9.642 -0.874 1.00 0.00 H new ATOM 34 N PHE A 3 -15.189 9.649 -3.467 1.00 0.00 N ATOM 35 CA PHE A 3 -14.895 9.010 -4.781 1.00 0.00 C ATOM 36 C PHE A 3 -14.840 10.086 -5.867 1.00 0.00 C ATOM 37 O PHE A 3 -15.504 9.991 -6.881 1.00 0.00 O ATOM 38 CB PHE A 3 -15.997 8.002 -5.115 1.00 0.00 C ATOM 39 CG PHE A 3 -15.499 7.033 -6.160 1.00 0.00 C ATOM 40 CD1 PHE A 3 -14.657 5.977 -5.791 1.00 0.00 C ATOM 41 CD2 PHE A 3 -15.879 7.189 -7.498 1.00 0.00 C ATOM 42 CE1 PHE A 3 -14.197 5.077 -6.760 1.00 0.00 C ATOM 43 CE2 PHE A 3 -15.419 6.289 -8.466 1.00 0.00 C ATOM 44 CZ PHE A 3 -14.577 5.235 -8.097 1.00 0.00 C ATOM 0 H PHE A 3 -16.035 10.218 -3.441 1.00 0.00 H new ATOM 0 HA PHE A 3 -13.936 8.495 -4.730 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -16.294 7.462 -4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -16.882 8.523 -5.480 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -14.362 5.857 -4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -16.527 8.004 -7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -13.549 4.261 -6.475 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -15.714 6.408 -9.498 1.00 0.00 H new ATOM 0 HZ PHE A 3 -14.220 4.543 -8.845 1.00 0.00 H new ATOM 54 N ILE A 4 -14.060 11.112 -5.661 1.00 0.00 N ATOM 55 CA ILE A 4 -13.969 12.194 -6.680 1.00 0.00 C ATOM 56 C ILE A 4 -12.518 12.349 -7.145 1.00 0.00 C ATOM 57 O ILE A 4 -12.235 12.370 -8.327 1.00 0.00 O ATOM 58 CB ILE A 4 -14.452 13.511 -6.069 1.00 0.00 C ATOM 59 CG1 ILE A 4 -15.768 13.274 -5.323 1.00 0.00 C ATOM 60 CG2 ILE A 4 -14.676 14.537 -7.181 1.00 0.00 C ATOM 61 CD1 ILE A 4 -15.892 14.273 -4.170 1.00 0.00 C ATOM 0 H ILE A 4 -13.482 11.247 -4.831 1.00 0.00 H new ATOM 0 HA ILE A 4 -14.594 11.936 -7.535 1.00 0.00 H new ATOM 0 HB ILE A 4 -13.701 13.886 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -16.610 13.385 -6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -15.802 12.254 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -15.020 15.475 -6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -13.740 14.706 -7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -15.427 14.162 -7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -16.829 14.103 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -15.057 14.140 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -15.878 15.289 -4.565 1.00 0.00 H new ATOM 73 N THR A 5 -11.594 12.463 -6.228 1.00 0.00 N ATOM 74 CA THR A 5 -10.166 12.620 -6.630 1.00 0.00 C ATOM 75 C THR A 5 -9.255 12.023 -5.555 1.00 0.00 C ATOM 76 O THR A 5 -9.709 11.389 -4.624 1.00 0.00 O ATOM 77 CB THR A 5 -9.845 14.108 -6.794 1.00 0.00 C ATOM 78 OG1 THR A 5 -10.631 14.862 -5.881 1.00 0.00 O ATOM 79 CG2 THR A 5 -10.159 14.549 -8.225 1.00 0.00 C ATOM 0 H THR A 5 -11.765 12.454 -5.223 1.00 0.00 H new ATOM 0 HA THR A 5 -10.000 12.100 -7.574 1.00 0.00 H new ATOM 0 HB THR A 5 -8.787 14.275 -6.591 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.426 15.815 -5.983 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.929 15.609 -8.338 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.556 13.970 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.216 14.383 -8.433 1.00 0.00 H new ATOM 87 N LYS A 6 -7.971 12.226 -5.678 1.00 0.00 N ATOM 88 CA LYS A 6 -7.021 11.680 -4.667 1.00 0.00 C ATOM 89 C LYS A 6 -6.983 10.150 -4.758 1.00 0.00 C ATOM 90 O LYS A 6 -7.985 9.482 -4.602 1.00 0.00 O ATOM 91 CB LYS A 6 -7.469 12.098 -3.263 1.00 0.00 C ATOM 92 CG LYS A 6 -7.706 13.610 -3.230 1.00 0.00 C ATOM 93 CD LYS A 6 -6.407 14.343 -3.574 1.00 0.00 C ATOM 94 CE LYS A 6 -6.193 15.498 -2.593 1.00 0.00 C ATOM 95 NZ LYS A 6 -6.653 16.772 -3.217 1.00 0.00 N ATOM 0 H LYS A 6 -7.538 12.749 -6.439 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.024 12.075 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.383 11.570 -2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.710 11.822 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.487 13.881 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.055 13.912 -2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.565 13.653 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.452 14.723 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.744 15.313 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.139 15.571 -2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.508 17.557 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.109 16.950 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.664 16.699 -3.451 1.00 0.00 H new ATOM 109 N THR A 7 -5.825 9.596 -5.001 1.00 0.00 N ATOM 110 CA THR A 7 -5.703 8.113 -5.096 1.00 0.00 C ATOM 111 C THR A 7 -6.243 7.488 -3.795 1.00 0.00 C ATOM 112 O THR A 7 -6.605 8.201 -2.880 1.00 0.00 O ATOM 113 CB THR A 7 -4.213 7.764 -5.327 1.00 0.00 C ATOM 114 OG1 THR A 7 -4.110 6.784 -6.350 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.549 7.246 -4.042 1.00 0.00 C ATOM 0 H THR A 7 -4.955 10.110 -5.138 1.00 0.00 H new ATOM 0 HA THR A 7 -6.284 7.715 -5.927 1.00 0.00 H new ATOM 0 HB THR A 7 -3.693 8.674 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.167 6.564 -6.498 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.504 7.011 -4.242 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.607 8.012 -3.268 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.064 6.347 -3.703 1.00 0.00 H new ATOM 123 N PRO A 8 -6.286 6.180 -3.750 1.00 0.00 N ATOM 124 CA PRO A 8 -6.781 5.449 -2.569 1.00 0.00 C ATOM 125 C PRO A 8 -5.726 5.463 -1.458 1.00 0.00 C ATOM 126 O PRO A 8 -4.628 5.945 -1.655 1.00 0.00 O ATOM 127 CB PRO A 8 -7.027 4.032 -3.098 1.00 0.00 C ATOM 128 CG PRO A 8 -6.154 3.882 -4.366 1.00 0.00 C ATOM 129 CD PRO A 8 -5.839 5.308 -4.855 1.00 0.00 C ATOM 0 HA PRO A 8 -7.679 5.885 -2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.757 3.286 -2.350 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.081 3.882 -3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.237 3.338 -4.142 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.681 3.316 -5.134 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.775 5.434 -5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.367 5.537 -5.781 1.00 0.00 H new ATOM 137 N PRO A 9 -6.093 4.942 -0.315 1.00 0.00 N ATOM 138 CA PRO A 9 -5.198 4.892 0.853 1.00 0.00 C ATOM 139 C PRO A 9 -4.131 3.808 0.675 1.00 0.00 C ATOM 140 O PRO A 9 -4.175 3.021 -0.251 1.00 0.00 O ATOM 141 CB PRO A 9 -6.139 4.567 2.015 1.00 0.00 C ATOM 142 CG PRO A 9 -7.391 3.910 1.392 1.00 0.00 C ATOM 143 CD PRO A 9 -7.427 4.350 -0.083 1.00 0.00 C ATOM 0 HA PRO A 9 -4.647 5.820 1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.660 3.894 2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.406 5.471 2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.340 2.824 1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.295 4.226 1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.609 3.505 -0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.221 5.074 -0.264 1.00 0.00 H new ATOM 151 N ALA A 10 -3.167 3.772 1.552 1.00 0.00 N ATOM 152 CA ALA A 10 -2.084 2.756 1.439 1.00 0.00 C ATOM 153 C ALA A 10 -2.681 1.348 1.437 1.00 0.00 C ATOM 154 O ALA A 10 -2.700 0.673 0.426 1.00 0.00 O ATOM 155 CB ALA A 10 -1.132 2.901 2.628 1.00 0.00 C ATOM 0 H ALA A 10 -3.082 4.406 2.346 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.542 2.913 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.337 2.159 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.697 3.901 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.683 2.747 3.556 1.00 0.00 H new ATOM 161 N ALA A 11 -3.155 0.895 2.565 1.00 0.00 N ATOM 162 CA ALA A 11 -3.738 -0.476 2.640 1.00 0.00 C ATOM 163 C ALA A 11 -4.591 -0.755 1.399 1.00 0.00 C ATOM 164 O ALA A 11 -4.283 -1.626 0.609 1.00 0.00 O ATOM 165 CB ALA A 11 -4.606 -0.590 3.894 1.00 0.00 C ATOM 0 H ALA A 11 -3.164 1.417 3.441 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.930 -1.206 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.033 -1.591 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.995 -0.405 4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.409 0.145 3.848 1.00 0.00 H new ATOM 171 N VAL A 12 -5.664 -0.033 1.221 1.00 0.00 N ATOM 172 CA VAL A 12 -6.530 -0.274 0.031 1.00 0.00 C ATOM 173 C VAL A 12 -5.658 -0.370 -1.223 1.00 0.00 C ATOM 174 O VAL A 12 -5.551 -1.414 -1.835 1.00 0.00 O ATOM 175 CB VAL A 12 -7.529 0.874 -0.121 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.321 0.695 -1.419 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.497 0.866 1.065 1.00 0.00 C ATOM 0 H VAL A 12 -5.978 0.710 1.845 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.077 -1.208 0.164 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.990 1.821 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.033 1.513 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.636 0.696 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.859 -0.252 -1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.210 1.684 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.034 -0.082 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.938 0.991 1.992 1.00 0.00 H new ATOM 187 N LEU A 13 -5.031 0.708 -1.614 1.00 0.00 N ATOM 188 CA LEU A 13 -4.169 0.663 -2.829 1.00 0.00 C ATOM 189 C LEU A 13 -3.232 -0.534 -2.732 1.00 0.00 C ATOM 190 O LEU A 13 -2.906 -1.169 -3.715 1.00 0.00 O ATOM 191 CB LEU A 13 -3.345 1.945 -2.924 1.00 0.00 C ATOM 192 CG LEU A 13 -2.806 2.101 -4.346 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.643 3.587 -4.666 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.447 1.405 -4.455 1.00 0.00 C ATOM 0 H LEU A 13 -5.079 1.613 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.795 0.572 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.960 2.805 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.520 1.913 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.503 1.650 -5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.259 3.701 -5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.610 4.084 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.944 4.037 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.062 1.516 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.749 1.857 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.561 0.346 -4.224 1.00 0.00 H new ATOM 206 N LEU A 14 -2.803 -0.850 -1.547 1.00 0.00 N ATOM 207 CA LEU A 14 -1.892 -2.012 -1.369 1.00 0.00 C ATOM 208 C LEU A 14 -2.663 -3.291 -1.692 1.00 0.00 C ATOM 209 O LEU A 14 -2.207 -4.131 -2.443 1.00 0.00 O ATOM 210 CB LEU A 14 -1.404 -2.057 0.080 1.00 0.00 C ATOM 211 CG LEU A 14 0.107 -1.825 0.115 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.796 -2.829 -0.812 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.415 -0.401 -0.354 1.00 0.00 C ATOM 0 H LEU A 14 -3.044 -0.353 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.032 -1.920 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.914 -1.296 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.645 -3.022 0.527 1.00 0.00 H new ATOM 0 HG LEU A 14 0.474 -1.958 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.873 -2.666 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.575 -3.843 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.430 -2.694 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.492 -0.235 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.050 -0.266 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.078 0.314 0.305 1.00 0.00 H new ATOM 225 N LYS A 15 -3.839 -3.432 -1.144 1.00 0.00 N ATOM 226 CA LYS A 15 -4.658 -4.642 -1.428 1.00 0.00 C ATOM 227 C LYS A 15 -4.883 -4.741 -2.937 1.00 0.00 C ATOM 228 O LYS A 15 -4.883 -5.807 -3.515 1.00 0.00 O ATOM 229 CB LYS A 15 -6.005 -4.519 -0.715 1.00 0.00 C ATOM 230 CG LYS A 15 -6.602 -5.911 -0.499 1.00 0.00 C ATOM 231 CD LYS A 15 -8.128 -5.805 -0.442 1.00 0.00 C ATOM 232 CE LYS A 15 -8.741 -6.717 -1.505 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.458 -7.841 -0.839 1.00 0.00 N ATOM 0 H LYS A 15 -4.268 -2.758 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.143 -5.535 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.876 -4.015 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.687 -3.908 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.302 -6.577 -1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.221 -6.343 0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.486 -6.089 0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.438 -4.774 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.431 -6.151 -2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.961 -7.106 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.818 -8.499 -1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.803 -8.344 -0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.254 -7.465 -0.285 1.00 0.00 H new ATOM 247 N LYS A 16 -5.075 -3.629 -3.583 1.00 0.00 N ATOM 248 CA LYS A 16 -5.291 -3.660 -5.053 1.00 0.00 C ATOM 249 C LYS A 16 -3.977 -3.992 -5.747 1.00 0.00 C ATOM 250 O LYS A 16 -3.858 -4.966 -6.466 1.00 0.00 O ATOM 251 CB LYS A 16 -5.788 -2.293 -5.526 1.00 0.00 C ATOM 252 CG LYS A 16 -6.989 -2.476 -6.456 1.00 0.00 C ATOM 253 CD LYS A 16 -7.759 -1.157 -6.558 1.00 0.00 C ATOM 254 CE LYS A 16 -6.905 -0.122 -7.293 1.00 0.00 C ATOM 255 NZ LYS A 16 -6.696 1.063 -6.414 1.00 0.00 N ATOM 0 H LYS A 16 -5.092 -2.702 -3.159 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.035 -4.418 -5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.069 -1.681 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.989 -1.765 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.653 -2.791 -7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.641 -3.262 -6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.698 -1.312 -7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.012 -0.794 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.945 -0.557 -7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.396 0.180 -8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.116 1.767 -6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.616 1.482 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.210 0.768 -5.543 1.00 0.00 H new ATOM 269 N ALA A 17 -2.996 -3.174 -5.539 1.00 0.00 N ATOM 270 CA ALA A 17 -1.669 -3.396 -6.183 1.00 0.00 C ATOM 271 C ALA A 17 -1.026 -4.692 -5.672 1.00 0.00 C ATOM 272 O ALA A 17 -1.007 -5.697 -6.355 1.00 0.00 O ATOM 273 CB ALA A 17 -0.751 -2.216 -5.862 1.00 0.00 C ATOM 0 H ALA A 17 -3.051 -2.348 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.812 -3.480 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.221 -2.373 -6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.194 -1.296 -6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.625 -2.136 -4.782 1.00 0.00 H new ATOM 279 N ALA A 18 -0.475 -4.667 -4.487 1.00 0.00 N ATOM 280 CA ALA A 18 0.197 -5.883 -3.941 1.00 0.00 C ATOM 281 C ALA A 18 -0.832 -6.909 -3.458 1.00 0.00 C ATOM 282 O ALA A 18 -0.513 -8.065 -3.259 1.00 0.00 O ATOM 283 CB ALA A 18 1.094 -5.476 -2.770 1.00 0.00 C ATOM 0 H ALA A 18 -0.461 -3.854 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 18 0.791 -6.338 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.588 -6.360 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.845 -4.767 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.488 -5.012 -1.992 1.00 0.00 H new ATOM 289 N GLY A 19 -2.058 -6.512 -3.259 1.00 0.00 N ATOM 290 CA GLY A 19 -3.078 -7.491 -2.781 1.00 0.00 C ATOM 291 C GLY A 19 -3.697 -8.222 -3.974 1.00 0.00 C ATOM 292 O GLY A 19 -4.733 -8.847 -3.859 1.00 0.00 O ATOM 0 H GLY A 19 -2.397 -5.561 -3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.616 -8.209 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.855 -6.974 -2.217 1.00 0.00 H new ATOM 296 N ILE A 20 -3.065 -8.154 -5.115 1.00 0.00 N ATOM 297 CA ILE A 20 -3.601 -8.848 -6.323 1.00 0.00 C ATOM 298 C ILE A 20 -5.120 -8.682 -6.403 1.00 0.00 C ATOM 299 O ILE A 20 -5.710 -7.875 -5.713 1.00 0.00 O ATOM 300 CB ILE A 20 -3.256 -10.340 -6.257 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.940 -10.977 -5.044 1.00 0.00 C ATOM 302 CG2 ILE A 20 -1.742 -10.511 -6.129 1.00 0.00 C ATOM 303 CD1 ILE A 20 -3.691 -12.487 -5.050 1.00 0.00 C ATOM 0 H ILE A 20 -2.194 -7.644 -5.263 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.148 -8.405 -7.210 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.604 -10.827 -7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.554 -10.538 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.011 -10.774 -5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.498 -11.572 -6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.251 -10.064 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.396 -10.019 -5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.178 -12.940 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.098 -12.919 -5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.619 -12.679 -5.004 1.00 0.00 H new ATOM 315 N GLU A 21 -5.752 -9.442 -7.253 1.00 0.00 N ATOM 316 CA GLU A 21 -7.231 -9.343 -7.401 1.00 0.00 C ATOM 317 C GLU A 21 -7.894 -9.406 -6.024 1.00 0.00 C ATOM 318 O GLU A 21 -8.697 -8.564 -5.672 1.00 0.00 O ATOM 319 CB GLU A 21 -7.732 -10.508 -8.258 1.00 0.00 C ATOM 320 CG GLU A 21 -7.103 -11.813 -7.762 1.00 0.00 C ATOM 321 CD GLU A 21 -6.794 -12.719 -8.955 1.00 0.00 C ATOM 322 OE1 GLU A 21 -6.527 -12.191 -10.022 1.00 0.00 O ATOM 323 OE2 GLU A 21 -6.832 -13.927 -8.783 1.00 0.00 O ATOM 0 H GLU A 21 -5.304 -10.132 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.484 -8.397 -7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.819 -10.572 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.474 -10.342 -9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.189 -11.600 -7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.782 -12.318 -7.075 1.00 0.00 H new ATOM 330 N SER A 22 -7.571 -10.399 -5.242 1.00 0.00 N ATOM 331 CA SER A 22 -8.188 -10.513 -3.891 1.00 0.00 C ATOM 332 C SER A 22 -7.952 -11.918 -3.339 1.00 0.00 C ATOM 333 O SER A 22 -8.878 -12.634 -3.011 1.00 0.00 O ATOM 334 CB SER A 22 -9.688 -10.261 -3.996 1.00 0.00 C ATOM 335 OG SER A 22 -9.967 -8.913 -3.642 1.00 0.00 O ATOM 0 H SER A 22 -6.907 -11.136 -5.480 1.00 0.00 H new ATOM 0 HA SER A 22 -7.738 -9.778 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.031 -10.460 -5.011 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.229 -10.941 -3.338 1.00 0.00 H new ATOM 0 HG SER A 22 -9.848 -8.338 -4.426 1.00 0.00 H new ATOM 341 N GLY A 23 -6.719 -12.317 -3.233 1.00 0.00 N ATOM 342 CA GLY A 23 -6.415 -13.674 -2.700 1.00 0.00 C ATOM 343 C GLY A 23 -7.034 -13.827 -1.311 1.00 0.00 C ATOM 344 O GLY A 23 -7.197 -14.921 -0.809 1.00 0.00 O ATOM 0 H GLY A 23 -5.904 -11.761 -3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.809 -14.437 -3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.336 -13.822 -2.647 1.00 0.00 H new ATOM 348 N SER A 24 -7.385 -12.737 -0.687 1.00 0.00 N ATOM 349 CA SER A 24 -7.996 -12.816 0.670 1.00 0.00 C ATOM 350 C SER A 24 -9.450 -12.359 0.603 1.00 0.00 C ATOM 351 O SER A 24 -10.365 -13.155 0.674 1.00 0.00 O ATOM 352 CB SER A 24 -7.229 -11.908 1.634 1.00 0.00 C ATOM 353 OG SER A 24 -5.987 -11.541 1.047 1.00 0.00 O ATOM 0 H SER A 24 -7.275 -11.793 -1.059 1.00 0.00 H new ATOM 0 HA SER A 24 -7.950 -13.846 1.023 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.816 -11.017 1.857 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.059 -12.423 2.579 1.00 0.00 H new ATOM 0 HG SER A 24 -6.011 -10.594 0.795 1.00 0.00 H new ATOM 359 N GLY A 25 -9.673 -11.081 0.487 1.00 0.00 N ATOM 360 CA GLY A 25 -11.071 -10.574 0.440 1.00 0.00 C ATOM 361 C GLY A 25 -11.537 -10.300 1.869 1.00 0.00 C ATOM 362 O GLY A 25 -12.257 -9.357 2.133 1.00 0.00 O ATOM 0 H GLY A 25 -8.948 -10.366 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.123 -9.663 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.723 -11.306 -0.037 1.00 0.00 H new ATOM 366 N GLU A 26 -11.113 -11.115 2.797 1.00 0.00 N ATOM 367 CA GLU A 26 -11.505 -10.912 4.216 1.00 0.00 C ATOM 368 C GLU A 26 -10.345 -11.359 5.110 1.00 0.00 C ATOM 369 O GLU A 26 -10.493 -12.261 5.910 1.00 0.00 O ATOM 370 CB GLU A 26 -12.747 -11.749 4.528 1.00 0.00 C ATOM 371 CG GLU A 26 -13.427 -11.205 5.784 1.00 0.00 C ATOM 372 CD GLU A 26 -14.551 -10.247 5.384 1.00 0.00 C ATOM 373 OE1 GLU A 26 -14.651 -9.942 4.207 1.00 0.00 O ATOM 374 OE2 GLU A 26 -15.293 -9.836 6.260 1.00 0.00 O ATOM 0 H GLU A 26 -10.507 -11.918 2.629 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.731 -9.861 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.439 -11.720 3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.468 -12.792 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.829 -12.026 6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.699 -10.687 6.409 1.00 0.00 H new ATOM 381 N PRO A 27 -9.215 -10.720 4.930 1.00 0.00 N ATOM 382 CA PRO A 27 -7.993 -11.032 5.692 1.00 0.00 C ATOM 383 C PRO A 27 -8.067 -10.446 7.101 1.00 0.00 C ATOM 384 O PRO A 27 -9.093 -9.958 7.532 1.00 0.00 O ATOM 385 CB PRO A 27 -6.883 -10.355 4.884 1.00 0.00 C ATOM 386 CG PRO A 27 -7.565 -9.240 4.057 1.00 0.00 C ATOM 387 CD PRO A 27 -9.053 -9.620 3.954 1.00 0.00 C ATOM 0 HA PRO A 27 -7.835 -12.103 5.819 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.121 -9.939 5.543 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.384 -11.072 4.232 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.445 -8.270 4.540 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.115 -9.161 3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.698 -8.775 4.196 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -9.313 -9.941 2.945 1.00 0.00 H new ATOM 395 N ASN A 28 -6.981 -10.490 7.819 1.00 0.00 N ATOM 396 CA ASN A 28 -6.976 -9.935 9.202 1.00 0.00 C ATOM 397 C ASN A 28 -5.533 -9.755 9.678 1.00 0.00 C ATOM 398 O ASN A 28 -5.036 -8.651 9.778 1.00 0.00 O ATOM 399 CB ASN A 28 -7.707 -10.897 10.142 1.00 0.00 C ATOM 400 CG ASN A 28 -9.180 -10.493 10.240 1.00 0.00 C ATOM 401 OD1 ASN A 28 -10.058 -11.318 10.087 1.00 0.00 O ATOM 402 ND2 ASN A 28 -9.488 -9.250 10.490 1.00 0.00 N ATOM 0 H ASN A 28 -6.094 -10.887 7.508 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.481 -8.969 9.205 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.623 -11.919 9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.247 -10.877 11.130 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.467 -8.971 10.557 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.750 -8.558 10.618 1.00 0.00 H new ATOM 409 N ARG A 29 -4.856 -10.830 9.976 1.00 0.00 N ATOM 410 CA ARG A 29 -3.447 -10.717 10.448 1.00 0.00 C ATOM 411 C ARG A 29 -2.585 -11.759 9.733 1.00 0.00 C ATOM 412 O ARG A 29 -1.529 -12.137 10.203 1.00 0.00 O ATOM 413 CB ARG A 29 -3.399 -10.962 11.957 1.00 0.00 C ATOM 414 CG ARG A 29 -4.450 -10.089 12.648 1.00 0.00 C ATOM 415 CD ARG A 29 -3.882 -9.540 13.957 1.00 0.00 C ATOM 416 NE ARG A 29 -3.028 -8.354 13.669 1.00 0.00 N ATOM 417 CZ ARG A 29 -2.649 -7.573 14.643 1.00 0.00 C ATOM 418 NH1 ARG A 29 -3.487 -6.713 15.154 1.00 0.00 N ATOM 419 NH2 ARG A 29 -1.431 -7.652 15.104 1.00 0.00 N ATOM 0 H ARG A 29 -5.218 -11.782 9.913 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.066 -9.720 10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.586 -12.014 12.172 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.406 -10.729 12.343 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.742 -9.267 11.994 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.349 -10.673 12.847 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.693 -9.262 14.630 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.297 -10.308 14.463 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.740 -8.153 12.711 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.439 -6.651 14.792 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.190 -6.103 15.915 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.776 -8.324 14.703 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.133 -7.042 15.865 1.00 0.00 H new ATOM 433 N ASN A 30 -3.026 -12.227 8.598 1.00 0.00 N ATOM 434 CA ASN A 30 -2.236 -13.243 7.850 1.00 0.00 C ATOM 435 C ASN A 30 -1.487 -12.559 6.704 1.00 0.00 C ATOM 436 O ASN A 30 -1.355 -11.353 6.668 1.00 0.00 O ATOM 437 CB ASN A 30 -3.180 -14.303 7.280 1.00 0.00 C ATOM 438 CG ASN A 30 -2.954 -15.633 8.001 1.00 0.00 C ATOM 439 OD1 ASN A 30 -3.313 -15.781 9.152 1.00 0.00 O ATOM 440 ND2 ASN A 30 -2.368 -16.613 7.369 1.00 0.00 N ATOM 0 H ASN A 30 -3.902 -11.948 8.156 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.521 -13.717 8.522 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.215 -13.984 7.400 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.005 -14.423 6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.211 -17.503 7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.067 -16.489 6.403 1.00 0.00 H new ATOM 447 N LYS A 31 -1.000 -13.322 5.764 1.00 0.00 N ATOM 448 CA LYS A 31 -0.265 -12.717 4.618 1.00 0.00 C ATOM 449 C LYS A 31 -0.757 -13.351 3.314 1.00 0.00 C ATOM 450 O LYS A 31 -0.808 -14.557 3.182 1.00 0.00 O ATOM 451 CB LYS A 31 1.235 -12.975 4.780 1.00 0.00 C ATOM 452 CG LYS A 31 1.692 -12.492 6.159 1.00 0.00 C ATOM 453 CD LYS A 31 2.785 -13.422 6.690 1.00 0.00 C ATOM 454 CE LYS A 31 3.661 -12.665 7.690 1.00 0.00 C ATOM 455 NZ LYS A 31 2.857 -12.325 8.899 1.00 0.00 N ATOM 0 H LYS A 31 -1.080 -14.339 5.740 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.445 -11.642 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.446 -14.038 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.790 -12.456 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.069 -11.472 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.848 -12.475 6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.335 -14.291 7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.394 -13.792 5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.520 -13.274 7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.051 -11.756 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.076 -11.354 9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.844 -12.398 8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.089 -12.986 9.668 1.00 0.00 H new ATOM 469 N VAL A 32 -1.123 -12.550 2.349 1.00 0.00 N ATOM 470 CA VAL A 32 -1.613 -13.121 1.063 1.00 0.00 C ATOM 471 C VAL A 32 -0.760 -12.608 -0.093 1.00 0.00 C ATOM 472 O VAL A 32 -0.865 -13.072 -1.210 1.00 0.00 O ATOM 473 CB VAL A 32 -3.070 -12.716 0.842 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.907 -13.141 2.050 1.00 0.00 C ATOM 475 CG2 VAL A 32 -3.160 -11.197 0.674 1.00 0.00 C ATOM 0 H VAL A 32 -1.104 -11.531 2.396 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.541 -14.208 1.106 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.448 -13.205 -0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.946 -12.852 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.846 -14.222 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.526 -12.652 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.199 -10.909 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.780 -10.709 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.564 -10.890 -0.186 1.00 0.00 H new ATOM 485 N ALA A 33 0.081 -11.652 0.163 1.00 0.00 N ATOM 486 CA ALA A 33 0.939 -11.109 -0.929 1.00 0.00 C ATOM 487 C ALA A 33 2.262 -10.601 -0.355 1.00 0.00 C ATOM 488 O ALA A 33 2.321 -10.086 0.743 1.00 0.00 O ATOM 489 CB ALA A 33 0.211 -9.956 -1.622 1.00 0.00 C ATOM 0 H ALA A 33 0.214 -11.221 1.078 1.00 0.00 H new ATOM 0 HA ALA A 33 1.143 -11.902 -1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.837 -9.558 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.727 -10.318 -2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.003 -9.169 -0.897 1.00 0.00 H new ATOM 495 N THR A 34 3.327 -10.735 -1.098 1.00 0.00 N ATOM 496 CA THR A 34 4.647 -10.249 -0.608 1.00 0.00 C ATOM 497 C THR A 34 5.376 -9.546 -1.754 1.00 0.00 C ATOM 498 O THR A 34 5.493 -10.072 -2.844 1.00 0.00 O ATOM 499 CB THR A 34 5.486 -11.430 -0.114 1.00 0.00 C ATOM 500 OG1 THR A 34 4.686 -12.275 0.701 1.00 0.00 O ATOM 501 CG2 THR A 34 6.672 -10.910 0.698 1.00 0.00 C ATOM 0 H THR A 34 3.339 -11.161 -2.025 1.00 0.00 H new ATOM 0 HA THR A 34 4.496 -9.552 0.217 1.00 0.00 H new ATOM 0 HB THR A 34 5.853 -11.996 -0.970 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.224 -13.031 1.015 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.269 -11.751 1.050 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.288 -10.265 0.071 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.306 -10.342 1.553 1.00 0.00 H new ATOM 509 N ILE A 35 5.863 -8.359 -1.521 1.00 0.00 N ATOM 510 CA ILE A 35 6.580 -7.620 -2.599 1.00 0.00 C ATOM 511 C ILE A 35 7.762 -6.869 -1.995 1.00 0.00 C ATOM 512 O ILE A 35 7.813 -6.624 -0.811 1.00 0.00 O ATOM 513 CB ILE A 35 5.631 -6.606 -3.240 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.755 -5.979 -2.153 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.740 -7.311 -4.266 1.00 0.00 C ATOM 516 CD1 ILE A 35 4.754 -4.458 -2.306 1.00 0.00 C ATOM 0 H ILE A 35 5.796 -7.868 -0.630 1.00 0.00 H new ATOM 0 HA ILE A 35 6.930 -8.328 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 35 6.212 -5.830 -3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.737 -6.362 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.129 -6.255 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.065 -6.586 -4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.362 -7.762 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.158 -8.087 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.129 -4.015 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.773 -4.082 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.359 -4.191 -3.286 1.00 0.00 H new ATOM 528 N LYS A 36 8.711 -6.488 -2.799 1.00 0.00 N ATOM 529 CA LYS A 36 9.875 -5.738 -2.258 1.00 0.00 C ATOM 530 C LYS A 36 9.528 -4.250 -2.214 1.00 0.00 C ATOM 531 O LYS A 36 8.390 -3.865 -2.396 1.00 0.00 O ATOM 532 CB LYS A 36 11.089 -5.958 -3.160 1.00 0.00 C ATOM 533 CG LYS A 36 11.863 -7.189 -2.682 1.00 0.00 C ATOM 534 CD LYS A 36 13.137 -7.351 -3.514 1.00 0.00 C ATOM 535 CE LYS A 36 12.826 -8.162 -4.773 1.00 0.00 C ATOM 536 NZ LYS A 36 12.469 -9.558 -4.392 1.00 0.00 N ATOM 0 H LYS A 36 8.732 -6.662 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 36 10.109 -6.091 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.768 -6.095 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.734 -5.079 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.117 -7.084 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.241 -8.080 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.532 -6.373 -3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.906 -7.852 -2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.003 -7.702 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.689 -8.165 -5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.762 -10.210 -5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.955 -9.812 -3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.441 -9.628 -4.254 1.00 0.00 H new ATOM 550 N ARG A 37 10.493 -3.405 -1.979 1.00 0.00 N ATOM 551 CA ARG A 37 10.199 -1.946 -1.933 1.00 0.00 C ATOM 552 C ARG A 37 9.884 -1.450 -3.343 1.00 0.00 C ATOM 553 O ARG A 37 9.349 -0.376 -3.532 1.00 0.00 O ATOM 554 CB ARG A 37 11.412 -1.193 -1.378 1.00 0.00 C ATOM 555 CG ARG A 37 12.580 -1.298 -2.362 1.00 0.00 C ATOM 556 CD ARG A 37 13.840 -1.735 -1.614 1.00 0.00 C ATOM 557 NE ARG A 37 15.041 -1.168 -2.290 1.00 0.00 N ATOM 558 CZ ARG A 37 16.234 -1.508 -1.888 1.00 0.00 C ATOM 559 NH1 ARG A 37 16.399 -2.027 -0.703 1.00 0.00 N ATOM 560 NH2 ARG A 37 17.263 -1.327 -2.671 1.00 0.00 N ATOM 0 H ARG A 37 11.467 -3.660 -1.818 1.00 0.00 H new ATOM 0 HA ARG A 37 9.341 -1.767 -1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.157 -0.146 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.699 -1.609 -0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.344 -2.015 -3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.748 -0.337 -2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.798 -1.395 -0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.903 -2.823 -1.590 1.00 0.00 H new ATOM 0 HE ARG A 37 14.930 -0.515 -3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.595 -2.167 -0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.332 -2.293 -0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.134 -0.920 -3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.196 -1.593 -2.357 1.00 0.00 H new ATOM 574 N ASP A 38 10.211 -2.230 -4.332 1.00 0.00 N ATOM 575 CA ASP A 38 9.938 -1.821 -5.741 1.00 0.00 C ATOM 576 C ASP A 38 8.435 -1.602 -5.939 1.00 0.00 C ATOM 577 O ASP A 38 8.017 -0.697 -6.635 1.00 0.00 O ATOM 578 CB ASP A 38 10.419 -2.920 -6.689 1.00 0.00 C ATOM 579 CG ASP A 38 11.880 -3.256 -6.384 1.00 0.00 C ATOM 580 OD1 ASP A 38 12.728 -2.418 -6.645 1.00 0.00 O ATOM 581 OD2 ASP A 38 12.127 -4.346 -5.894 1.00 0.00 O ATOM 0 H ASP A 38 10.659 -3.140 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 38 10.467 -0.892 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.799 -3.809 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.319 -2.592 -7.724 1.00 0.00 H new ATOM 586 N LYS A 39 7.618 -2.424 -5.338 1.00 0.00 N ATOM 587 CA LYS A 39 6.144 -2.266 -5.499 1.00 0.00 C ATOM 588 C LYS A 39 5.644 -1.192 -4.546 1.00 0.00 C ATOM 589 O LYS A 39 4.967 -0.263 -4.940 1.00 0.00 O ATOM 590 CB LYS A 39 5.467 -3.577 -5.148 1.00 0.00 C ATOM 591 CG LYS A 39 5.282 -4.418 -6.412 1.00 0.00 C ATOM 592 CD LYS A 39 3.983 -4.012 -7.110 1.00 0.00 C ATOM 593 CE LYS A 39 3.925 -4.658 -8.496 1.00 0.00 C ATOM 594 NZ LYS A 39 2.528 -4.602 -9.012 1.00 0.00 N ATOM 0 H LYS A 39 7.908 -3.199 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 39 5.917 -1.985 -6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.067 -4.124 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.500 -3.385 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.128 -4.275 -7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.254 -5.477 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.125 -4.325 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.930 -2.927 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.597 -4.139 -9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.263 -5.693 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.488 -5.041 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.898 -5.116 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.222 -3.610 -9.079 1.00 0.00 H new ATOM 608 N VAL A 40 5.989 -1.294 -3.293 1.00 0.00 N ATOM 609 CA VAL A 40 5.544 -0.257 -2.333 1.00 0.00 C ATOM 610 C VAL A 40 6.191 1.056 -2.765 1.00 0.00 C ATOM 611 O VAL A 40 5.781 2.128 -2.370 1.00 0.00 O ATOM 612 CB VAL A 40 6.000 -0.633 -0.917 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.043 0.616 -0.032 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.018 -1.642 -0.316 1.00 0.00 C ATOM 0 H VAL A 40 6.555 -2.045 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 40 4.458 -0.167 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 40 6.996 -1.072 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.368 0.340 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.743 1.337 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.049 1.061 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.341 -1.910 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.023 -1.199 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.989 -2.537 -0.938 1.00 0.00 H new ATOM 624 N ARG A 41 7.188 0.969 -3.603 1.00 0.00 N ATOM 625 CA ARG A 41 7.853 2.206 -4.099 1.00 0.00 C ATOM 626 C ARG A 41 6.914 2.892 -5.088 1.00 0.00 C ATOM 627 O ARG A 41 6.479 4.009 -4.888 1.00 0.00 O ATOM 628 CB ARG A 41 9.163 1.840 -4.805 1.00 0.00 C ATOM 629 CG ARG A 41 9.646 3.025 -5.646 1.00 0.00 C ATOM 630 CD ARG A 41 10.981 2.674 -6.305 1.00 0.00 C ATOM 631 NE ARG A 41 11.939 2.200 -5.267 1.00 0.00 N ATOM 632 CZ ARG A 41 13.035 1.589 -5.623 1.00 0.00 C ATOM 633 NH1 ARG A 41 12.979 0.564 -6.430 1.00 0.00 N ATOM 634 NH2 ARG A 41 14.188 2.005 -5.175 1.00 0.00 N ATOM 0 H ARG A 41 7.570 0.095 -3.965 1.00 0.00 H new ATOM 0 HA ARG A 41 8.075 2.872 -3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.921 1.571 -4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.013 0.968 -5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.906 3.269 -6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.760 3.908 -5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.834 1.901 -7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.386 3.547 -6.817 1.00 0.00 H new ATOM 0 HE ARG A 41 11.738 2.353 -4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.078 0.241 -6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.836 0.086 -6.708 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.232 2.807 -4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.045 1.528 -5.453 1.00 0.00 H new ATOM 648 N GLU A 42 6.594 2.213 -6.154 1.00 0.00 N ATOM 649 CA GLU A 42 5.673 2.787 -7.170 1.00 0.00 C ATOM 650 C GLU A 42 4.321 3.049 -6.509 1.00 0.00 C ATOM 651 O GLU A 42 3.687 4.062 -6.732 1.00 0.00 O ATOM 652 CB GLU A 42 5.520 1.779 -8.319 1.00 0.00 C ATOM 653 CG GLU A 42 4.220 2.037 -9.082 1.00 0.00 C ATOM 654 CD GLU A 42 4.346 1.487 -10.504 1.00 0.00 C ATOM 655 OE1 GLU A 42 5.466 1.271 -10.938 1.00 0.00 O ATOM 656 OE2 GLU A 42 3.320 1.291 -11.134 1.00 0.00 O ATOM 0 H GLU A 42 6.936 1.275 -6.365 1.00 0.00 H new ATOM 0 HA GLU A 42 6.066 3.724 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.370 1.859 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.522 0.763 -7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.384 1.561 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.009 3.106 -9.111 1.00 0.00 H new ATOM 663 N ILE A 43 3.883 2.135 -5.692 1.00 0.00 N ATOM 664 CA ILE A 43 2.580 2.301 -4.999 1.00 0.00 C ATOM 665 C ILE A 43 2.563 3.644 -4.260 1.00 0.00 C ATOM 666 O ILE A 43 1.694 4.466 -4.470 1.00 0.00 O ATOM 667 CB ILE A 43 2.408 1.141 -4.012 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.876 -0.084 -4.761 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.420 1.521 -2.903 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.090 -1.338 -3.911 1.00 0.00 C ATOM 0 H ILE A 43 4.379 1.271 -5.473 1.00 0.00 H new ATOM 0 HA ILE A 43 1.759 2.293 -5.716 1.00 0.00 H new ATOM 0 HB ILE A 43 3.375 0.916 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.816 0.043 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.388 -0.189 -5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.310 0.686 -2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.795 2.391 -2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.451 1.757 -3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.711 -2.209 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.154 -1.468 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.557 -1.232 -2.966 1.00 0.00 H new ATOM 682 N ALA A 44 3.516 3.877 -3.398 1.00 0.00 N ATOM 683 CA ALA A 44 3.540 5.167 -2.657 1.00 0.00 C ATOM 684 C ALA A 44 3.638 6.319 -3.657 1.00 0.00 C ATOM 685 O ALA A 44 3.116 7.395 -3.433 1.00 0.00 O ATOM 686 CB ALA A 44 4.752 5.199 -1.723 1.00 0.00 C ATOM 0 H ALA A 44 4.275 3.232 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 44 2.628 5.267 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.769 6.144 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.686 4.375 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.666 5.101 -2.309 1.00 0.00 H new ATOM 692 N GLU A 45 4.297 6.106 -4.763 1.00 0.00 N ATOM 693 CA GLU A 45 4.417 7.191 -5.774 1.00 0.00 C ATOM 694 C GLU A 45 3.023 7.603 -6.238 1.00 0.00 C ATOM 695 O GLU A 45 2.732 8.770 -6.411 1.00 0.00 O ATOM 696 CB GLU A 45 5.232 6.700 -6.971 1.00 0.00 C ATOM 697 CG GLU A 45 6.433 7.623 -7.177 1.00 0.00 C ATOM 698 CD GLU A 45 6.083 8.694 -8.212 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.039 9.309 -8.069 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.863 8.879 -9.132 1.00 0.00 O ATOM 0 H GLU A 45 4.756 5.229 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 45 4.923 8.047 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.569 5.678 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.611 6.686 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.711 8.092 -6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.295 7.046 -7.512 1.00 0.00 H new ATOM 707 N LEU A 46 2.156 6.653 -6.426 1.00 0.00 N ATOM 708 CA LEU A 46 0.772 6.988 -6.865 1.00 0.00 C ATOM 709 C LEU A 46 0.096 7.806 -5.767 1.00 0.00 C ATOM 710 O LEU A 46 -0.400 8.890 -5.999 1.00 0.00 O ATOM 711 CB LEU A 46 -0.017 5.699 -7.104 1.00 0.00 C ATOM 712 CG LEU A 46 -0.695 5.763 -8.472 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.368 5.880 -9.565 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.514 4.489 -8.693 1.00 0.00 C ATOM 0 H LEU A 46 2.343 5.659 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 46 0.804 7.562 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.650 4.838 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.764 5.567 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.352 6.632 -8.511 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.116 5.926 -10.540 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.953 6.786 -9.408 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.026 5.012 -9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.999 4.533 -9.668 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.855 3.622 -8.654 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.272 4.404 -7.915 1.00 0.00 H new ATOM 726 N LYS A 47 0.081 7.292 -4.567 1.00 0.00 N ATOM 727 CA LYS A 47 -0.546 8.034 -3.438 1.00 0.00 C ATOM 728 C LYS A 47 0.418 9.111 -2.924 1.00 0.00 C ATOM 729 O LYS A 47 0.180 9.728 -1.906 1.00 0.00 O ATOM 730 CB LYS A 47 -0.866 7.059 -2.304 1.00 0.00 C ATOM 731 CG LYS A 47 0.362 6.194 -2.012 1.00 0.00 C ATOM 732 CD LYS A 47 0.450 5.927 -0.508 1.00 0.00 C ATOM 733 CE LYS A 47 -0.766 5.113 -0.062 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.882 6.038 0.287 1.00 0.00 N ATOM 0 H LYS A 47 0.478 6.386 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.464 8.508 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.158 7.609 -1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.711 6.428 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.295 5.252 -2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.265 6.697 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.368 5.386 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.490 6.870 0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.076 4.436 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.508 4.496 0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.173 5.875 1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.564 7.022 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.689 5.863 -0.346 1.00 0.00 H new ATOM 748 N MET A 48 1.512 9.332 -3.605 1.00 0.00 N ATOM 749 CA MET A 48 2.491 10.356 -3.131 1.00 0.00 C ATOM 750 C MET A 48 1.886 11.758 -3.250 1.00 0.00 C ATOM 751 O MET A 48 1.814 12.479 -2.275 1.00 0.00 O ATOM 752 CB MET A 48 3.767 10.279 -3.973 1.00 0.00 C ATOM 753 CG MET A 48 4.982 10.149 -3.052 1.00 0.00 C ATOM 754 SD MET A 48 5.524 11.796 -2.532 1.00 0.00 S ATOM 755 CE MET A 48 6.529 11.271 -1.121 1.00 0.00 C ATOM 0 H MET A 48 1.770 8.850 -4.466 1.00 0.00 H new ATOM 0 HA MET A 48 2.731 10.157 -2.086 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.718 9.426 -4.649 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.861 11.171 -4.592 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.728 9.546 -2.180 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.791 9.635 -3.570 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.059 11.604 -0.196 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.610 10.184 -1.116 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.524 11.709 -1.200 1.00 0.00 H new ATOM 765 N PRO A 49 1.462 12.106 -4.438 1.00 0.00 N ATOM 766 CA PRO A 49 0.850 13.420 -4.698 1.00 0.00 C ATOM 767 C PRO A 49 -0.556 13.464 -4.101 1.00 0.00 C ATOM 768 O PRO A 49 -1.532 13.694 -4.785 1.00 0.00 O ATOM 769 CB PRO A 49 0.821 13.511 -6.226 1.00 0.00 C ATOM 770 CG PRO A 49 0.895 12.059 -6.748 1.00 0.00 C ATOM 771 CD PRO A 49 1.537 11.227 -5.622 1.00 0.00 C ATOM 0 HA PRO A 49 1.393 14.253 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.090 14.002 -6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.660 14.101 -6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.098 11.682 -6.992 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.490 12.003 -7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.999 10.293 -5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.568 10.964 -5.859 1.00 0.00 H new ATOM 779 N ASP A 50 -0.654 13.238 -2.819 1.00 0.00 N ATOM 780 CA ASP A 50 -1.982 13.254 -2.146 1.00 0.00 C ATOM 781 C ASP A 50 -1.827 12.678 -0.737 1.00 0.00 C ATOM 782 O ASP A 50 -2.563 13.016 0.170 1.00 0.00 O ATOM 783 CB ASP A 50 -2.974 12.405 -2.945 1.00 0.00 C ATOM 784 CG ASP A 50 -4.226 12.151 -2.104 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.733 13.102 -1.531 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.658 11.012 -2.047 1.00 0.00 O ATOM 0 H ASP A 50 0.136 13.041 -2.205 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.357 14.276 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.242 12.915 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.514 11.458 -3.226 1.00 0.00 H new ATOM 791 N LEU A 51 -0.867 11.811 -0.546 1.00 0.00 N ATOM 792 CA LEU A 51 -0.653 11.213 0.801 1.00 0.00 C ATOM 793 C LEU A 51 0.180 12.174 1.652 1.00 0.00 C ATOM 794 O LEU A 51 0.889 13.016 1.139 1.00 0.00 O ATOM 795 CB LEU A 51 0.095 9.884 0.655 1.00 0.00 C ATOM 796 CG LEU A 51 0.272 9.238 2.031 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.087 8.764 2.550 1.00 0.00 C ATOM 798 CD2 LEU A 51 1.219 8.040 1.915 1.00 0.00 C ATOM 0 H LEU A 51 -0.221 11.492 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.616 11.038 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.459 9.214 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.068 10.052 0.194 1.00 0.00 H new ATOM 0 HG LEU A 51 0.692 9.968 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.962 8.304 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.762 9.616 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.507 8.034 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.345 7.580 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.799 7.310 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.187 8.376 1.545 1.00 0.00 H new ATOM 810 N ASN A 52 0.103 12.053 2.949 1.00 0.00 N ATOM 811 CA ASN A 52 0.894 12.959 3.828 1.00 0.00 C ATOM 812 C ASN A 52 2.297 12.379 4.032 1.00 0.00 C ATOM 813 O ASN A 52 3.012 12.767 4.933 1.00 0.00 O ATOM 814 CB ASN A 52 0.196 13.092 5.182 1.00 0.00 C ATOM 815 CG ASN A 52 0.334 14.528 5.689 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.646 15.235 5.819 1.00 0.00 O ATOM 817 ND2 ASN A 52 1.517 14.993 5.984 1.00 0.00 N ATOM 0 H ASN A 52 -0.473 11.367 3.437 1.00 0.00 H new ATOM 0 HA ASN A 52 0.972 13.941 3.360 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.857 12.828 5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.635 12.398 5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.619 15.949 6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.340 14.400 5.875 1.00 0.00 H new ATOM 824 N ALA A 53 2.696 11.455 3.200 1.00 0.00 N ATOM 825 CA ALA A 53 4.051 10.858 3.349 1.00 0.00 C ATOM 826 C ALA A 53 5.084 11.975 3.507 1.00 0.00 C ATOM 827 O ALA A 53 4.778 13.142 3.367 1.00 0.00 O ATOM 828 CB ALA A 53 4.382 10.026 2.108 1.00 0.00 C ATOM 0 H ALA A 53 2.142 11.089 2.425 1.00 0.00 H new ATOM 0 HA ALA A 53 4.072 10.217 4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.374 9.589 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.645 9.230 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.362 10.665 1.225 1.00 0.00 H new ATOM 834 N ALA A 54 6.307 11.626 3.796 1.00 0.00 N ATOM 835 CA ALA A 54 7.360 12.668 3.962 1.00 0.00 C ATOM 836 C ALA A 54 8.476 12.433 2.942 1.00 0.00 C ATOM 837 O ALA A 54 9.450 13.158 2.896 1.00 0.00 O ATOM 838 CB ALA A 54 7.938 12.581 5.375 1.00 0.00 C ATOM 0 H ALA A 54 6.623 10.665 3.924 1.00 0.00 H new ATOM 0 HA ALA A 54 6.925 13.655 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.709 13.342 5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.144 12.745 6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.374 11.594 5.530 1.00 0.00 H new ATOM 844 N SER A 55 8.343 11.422 2.126 1.00 0.00 N ATOM 845 CA SER A 55 9.393 11.135 1.112 1.00 0.00 C ATOM 846 C SER A 55 9.217 9.704 0.606 1.00 0.00 C ATOM 847 O SER A 55 8.411 8.950 1.115 1.00 0.00 O ATOM 848 CB SER A 55 10.775 11.282 1.749 1.00 0.00 C ATOM 849 OG SER A 55 11.362 12.505 1.323 1.00 0.00 O ATOM 0 H SER A 55 7.549 10.782 2.120 1.00 0.00 H new ATOM 0 HA SER A 55 9.303 11.836 0.282 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.691 11.265 2.836 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.410 10.443 1.465 1.00 0.00 H new ATOM 0 HG SER A 55 10.887 13.257 1.735 1.00 0.00 H new ATOM 855 N ILE A 56 9.964 9.323 -0.390 1.00 0.00 N ATOM 856 CA ILE A 56 9.839 7.938 -0.926 1.00 0.00 C ATOM 857 C ILE A 56 9.956 6.933 0.223 1.00 0.00 C ATOM 858 O ILE A 56 8.996 6.289 0.595 1.00 0.00 O ATOM 859 CB ILE A 56 10.949 7.685 -1.948 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.854 8.725 -3.067 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.789 6.284 -2.542 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.463 8.664 -3.704 1.00 0.00 C ATOM 0 H ILE A 56 10.656 9.909 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 56 8.869 7.820 -1.410 1.00 0.00 H new ATOM 0 HB ILE A 56 11.919 7.762 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.039 9.722 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.619 8.536 -3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.580 6.105 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.853 5.542 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.819 6.206 -3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.395 9.405 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.295 7.669 -4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.707 8.875 -2.948 1.00 0.00 H new ATOM 874 N GLU A 57 11.123 6.794 0.791 1.00 0.00 N ATOM 875 CA GLU A 57 11.292 5.831 1.916 1.00 0.00 C ATOM 876 C GLU A 57 10.243 6.120 2.992 1.00 0.00 C ATOM 877 O GLU A 57 9.775 5.230 3.675 1.00 0.00 O ATOM 878 CB GLU A 57 12.692 5.980 2.515 1.00 0.00 C ATOM 879 CG GLU A 57 13.674 5.104 1.736 1.00 0.00 C ATOM 880 CD GLU A 57 14.904 5.930 1.354 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.731 7.085 1.004 1.00 0.00 O ATOM 882 OE2 GLU A 57 15.996 5.392 1.417 1.00 0.00 O ATOM 0 H GLU A 57 11.965 7.305 0.525 1.00 0.00 H new ATOM 0 HA GLU A 57 11.165 4.814 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.007 7.023 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.683 5.689 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.972 4.247 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.195 4.711 0.840 1.00 0.00 H new ATOM 889 N ALA A 58 9.870 7.362 3.148 1.00 0.00 N ATOM 890 CA ALA A 58 8.853 7.714 4.178 1.00 0.00 C ATOM 891 C ALA A 58 7.494 7.138 3.774 1.00 0.00 C ATOM 892 O ALA A 58 6.806 6.532 4.571 1.00 0.00 O ATOM 893 CB ALA A 58 8.748 9.235 4.292 1.00 0.00 C ATOM 0 H ALA A 58 10.227 8.148 2.605 1.00 0.00 H new ATOM 0 HA ALA A 58 9.152 7.297 5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.004 9.493 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.715 9.646 4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.450 9.652 3.330 1.00 0.00 H new ATOM 899 N ALA A 59 7.101 7.317 2.542 1.00 0.00 N ATOM 900 CA ALA A 59 5.788 6.772 2.098 1.00 0.00 C ATOM 901 C ALA A 59 5.792 5.256 2.276 1.00 0.00 C ATOM 902 O ALA A 59 4.931 4.687 2.915 1.00 0.00 O ATOM 903 CB ALA A 59 5.561 7.117 0.625 1.00 0.00 C ATOM 0 H ALA A 59 7.631 7.815 1.827 1.00 0.00 H new ATOM 0 HA ALA A 59 4.987 7.209 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.600 6.717 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.564 8.200 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.357 6.680 0.022 1.00 0.00 H new ATOM 909 N MET A 60 6.769 4.605 1.723 1.00 0.00 N ATOM 910 CA MET A 60 6.859 3.126 1.858 1.00 0.00 C ATOM 911 C MET A 60 6.947 2.772 3.340 1.00 0.00 C ATOM 912 O MET A 60 6.456 1.750 3.775 1.00 0.00 O ATOM 913 CB MET A 60 8.108 2.619 1.135 1.00 0.00 C ATOM 914 CG MET A 60 9.356 3.091 1.881 1.00 0.00 C ATOM 915 SD MET A 60 10.821 2.317 1.152 1.00 0.00 S ATOM 916 CE MET A 60 10.777 3.196 -0.429 1.00 0.00 C ATOM 0 H MET A 60 7.517 5.035 1.178 1.00 0.00 H new ATOM 0 HA MET A 60 5.978 2.660 1.417 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.093 1.530 1.081 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.123 2.988 0.110 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.438 4.176 1.824 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.282 2.832 2.937 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.433 2.520 -1.212 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.095 4.043 -0.356 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.777 3.556 -0.673 1.00 0.00 H new ATOM 926 N ARG A 61 7.556 3.618 4.126 1.00 0.00 N ATOM 927 CA ARG A 61 7.653 3.332 5.582 1.00 0.00 C ATOM 928 C ARG A 61 6.238 3.143 6.129 1.00 0.00 C ATOM 929 O ARG A 61 5.906 2.114 6.684 1.00 0.00 O ATOM 930 CB ARG A 61 8.329 4.507 6.292 1.00 0.00 C ATOM 931 CG ARG A 61 8.760 4.076 7.696 1.00 0.00 C ATOM 932 CD ARG A 61 10.284 4.156 7.811 1.00 0.00 C ATOM 933 NE ARG A 61 10.650 4.955 9.013 1.00 0.00 N ATOM 934 CZ ARG A 61 10.605 4.408 10.197 1.00 0.00 C ATOM 935 NH1 ARG A 61 9.508 3.836 10.612 1.00 0.00 N ATOM 936 NH2 ARG A 61 11.658 4.434 10.967 1.00 0.00 N ATOM 0 H ARG A 61 7.988 4.491 3.823 1.00 0.00 H new ATOM 0 HA ARG A 61 8.244 2.432 5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.195 4.841 5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.643 5.352 6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.294 4.718 8.444 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.423 3.059 7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.707 3.154 7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.703 4.614 6.915 1.00 0.00 H new ATOM 0 HE ARG A 61 10.936 5.929 8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.684 3.816 10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.474 3.409 11.538 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.515 4.882 10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.624 4.007 11.893 1.00 0.00 H new ATOM 950 N MET A 62 5.396 4.126 5.958 1.00 0.00 N ATOM 951 CA MET A 62 3.995 4.005 6.445 1.00 0.00 C ATOM 952 C MET A 62 3.249 3.004 5.559 1.00 0.00 C ATOM 953 O MET A 62 2.514 2.163 6.037 1.00 0.00 O ATOM 954 CB MET A 62 3.306 5.370 6.366 1.00 0.00 C ATOM 955 CG MET A 62 3.446 6.094 7.707 1.00 0.00 C ATOM 956 SD MET A 62 3.868 7.830 7.414 1.00 0.00 S ATOM 957 CE MET A 62 2.513 8.204 6.276 1.00 0.00 C ATOM 0 H MET A 62 5.620 5.010 5.500 1.00 0.00 H new ATOM 0 HA MET A 62 3.991 3.661 7.479 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.751 5.968 5.570 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.252 5.243 6.118 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.514 6.025 8.269 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.218 5.618 8.311 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.239 9.255 6.370 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.831 8.002 5.253 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.652 7.581 6.518 1.00 0.00 H new ATOM 967 N ILE A 63 3.440 3.088 4.268 1.00 0.00 N ATOM 968 CA ILE A 63 2.752 2.142 3.345 1.00 0.00 C ATOM 969 C ILE A 63 3.113 0.703 3.737 1.00 0.00 C ATOM 970 O ILE A 63 2.279 -0.181 3.725 1.00 0.00 O ATOM 971 CB ILE A 63 3.190 2.437 1.896 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.231 3.459 1.281 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.157 1.159 1.048 1.00 0.00 C ATOM 974 CD1 ILE A 63 2.252 4.744 2.105 1.00 0.00 C ATOM 0 H ILE A 63 4.044 3.773 3.814 1.00 0.00 H new ATOM 0 HA ILE A 63 1.671 2.265 3.416 1.00 0.00 H new ATOM 0 HB ILE A 63 4.208 2.826 1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.521 3.671 0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.220 3.052 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.470 1.390 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.834 0.420 1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.144 0.757 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.568 5.470 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.941 4.526 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.262 5.155 2.113 1.00 0.00 H new ATOM 986 N GLU A 64 4.347 0.462 4.079 1.00 0.00 N ATOM 987 CA GLU A 64 4.758 -0.917 4.466 1.00 0.00 C ATOM 988 C GLU A 64 3.990 -1.351 5.715 1.00 0.00 C ATOM 989 O GLU A 64 3.080 -2.153 5.645 1.00 0.00 O ATOM 990 CB GLU A 64 6.260 -0.940 4.753 1.00 0.00 C ATOM 991 CG GLU A 64 6.714 -2.384 4.967 1.00 0.00 C ATOM 992 CD GLU A 64 6.951 -2.628 6.457 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.423 -1.718 7.120 1.00 0.00 O ATOM 994 OE2 GLU A 64 6.657 -3.722 6.913 1.00 0.00 O ATOM 0 H GLU A 64 5.090 1.160 4.108 1.00 0.00 H new ATOM 0 HA GLU A 64 4.534 -1.604 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.807 -0.495 3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.482 -0.343 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.959 -3.074 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.629 -2.576 4.406 1.00 0.00 H new ATOM 1001 N GLY A 65 4.343 -0.827 6.858 1.00 0.00 N ATOM 1002 CA GLY A 65 3.624 -1.211 8.106 1.00 0.00 C ATOM 1003 C GLY A 65 2.120 -1.220 7.831 1.00 0.00 C ATOM 1004 O GLY A 65 1.364 -1.926 8.468 1.00 0.00 O ATOM 0 H GLY A 65 5.097 -0.151 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.951 -2.195 8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.856 -0.508 8.906 1.00 0.00 H new ATOM 1008 N THR A 66 1.684 -0.438 6.882 1.00 0.00 N ATOM 1009 CA THR A 66 0.234 -0.395 6.552 1.00 0.00 C ATOM 1010 C THR A 66 -0.183 -1.720 5.907 1.00 0.00 C ATOM 1011 O THR A 66 -1.170 -2.322 6.281 1.00 0.00 O ATOM 1012 CB THR A 66 -0.026 0.757 5.574 1.00 0.00 C ATOM 1013 OG1 THR A 66 0.195 1.996 6.234 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.469 0.695 5.075 1.00 0.00 C ATOM 0 H THR A 66 2.274 0.175 6.319 1.00 0.00 H new ATOM 0 HA THR A 66 -0.345 -0.240 7.462 1.00 0.00 H new ATOM 0 HB THR A 66 0.652 0.669 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.136 2.061 6.501 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.649 1.515 4.380 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.638 -0.254 4.567 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.151 0.780 5.921 1.00 0.00 H new ATOM 1022 N ALA A 67 0.563 -2.179 4.938 1.00 0.00 N ATOM 1023 CA ALA A 67 0.212 -3.463 4.266 1.00 0.00 C ATOM 1024 C ALA A 67 0.142 -4.592 5.297 1.00 0.00 C ATOM 1025 O ALA A 67 -0.700 -5.465 5.218 1.00 0.00 O ATOM 1026 CB ALA A 67 1.278 -3.796 3.222 1.00 0.00 C ATOM 0 H ALA A 67 1.401 -1.719 4.583 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.759 -3.360 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.024 -4.734 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.324 -2.998 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.248 -3.894 3.710 1.00 0.00 H new ATOM 1032 N ARG A 68 1.026 -4.591 6.255 1.00 0.00 N ATOM 1033 CA ARG A 68 1.017 -5.673 7.281 1.00 0.00 C ATOM 1034 C ARG A 68 -0.334 -5.699 8.000 1.00 0.00 C ATOM 1035 O ARG A 68 -0.755 -6.718 8.509 1.00 0.00 O ATOM 1036 CB ARG A 68 2.130 -5.420 8.299 1.00 0.00 C ATOM 1037 CG ARG A 68 2.991 -6.676 8.434 1.00 0.00 C ATOM 1038 CD ARG A 68 2.301 -7.674 9.367 1.00 0.00 C ATOM 1039 NE ARG A 68 1.996 -8.926 8.617 1.00 0.00 N ATOM 1040 CZ ARG A 68 1.026 -9.704 9.010 1.00 0.00 C ATOM 1041 NH1 ARG A 68 1.068 -10.256 10.193 1.00 0.00 N ATOM 1042 NH2 ARG A 68 0.013 -9.933 8.219 1.00 0.00 N ATOM 0 H ARG A 68 1.755 -3.888 6.373 1.00 0.00 H new ATOM 0 HA ARG A 68 1.180 -6.632 6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.744 -4.577 7.981 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.701 -5.155 9.265 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.149 -7.128 7.455 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.974 -6.415 8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.943 -7.895 10.219 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.382 -7.242 9.764 1.00 0.00 H new ATOM 0 HE ARG A 68 2.547 -9.174 7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.860 -10.079 10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.309 -10.864 10.499 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.019 -9.504 7.294 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.746 -10.541 8.526 1.00 0.00 H new ATOM 1056 N SER A 69 -1.015 -4.588 8.053 1.00 0.00 N ATOM 1057 CA SER A 69 -2.333 -4.560 8.747 1.00 0.00 C ATOM 1058 C SER A 69 -3.400 -5.216 7.865 1.00 0.00 C ATOM 1059 O SER A 69 -4.546 -5.338 8.250 1.00 0.00 O ATOM 1060 CB SER A 69 -2.730 -3.111 9.031 1.00 0.00 C ATOM 1061 OG SER A 69 -3.049 -2.974 10.409 1.00 0.00 O ATOM 0 H SER A 69 -0.717 -3.701 7.647 1.00 0.00 H new ATOM 0 HA SER A 69 -2.255 -5.109 9.685 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.913 -2.439 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.586 -2.829 8.418 1.00 0.00 H new ATOM 0 HG SER A 69 -3.302 -2.046 10.595 1.00 0.00 H new ATOM 1067 N MET A 70 -3.035 -5.638 6.685 1.00 0.00 N ATOM 1068 CA MET A 70 -4.034 -6.285 5.786 1.00 0.00 C ATOM 1069 C MET A 70 -3.549 -7.685 5.406 1.00 0.00 C ATOM 1070 O MET A 70 -3.807 -8.652 6.097 1.00 0.00 O ATOM 1071 CB MET A 70 -4.200 -5.440 4.520 1.00 0.00 C ATOM 1072 CG MET A 70 -5.306 -4.404 4.733 1.00 0.00 C ATOM 1073 SD MET A 70 -6.892 -5.099 4.207 1.00 0.00 S ATOM 1074 CE MET A 70 -7.254 -3.881 2.918 1.00 0.00 C ATOM 0 H MET A 70 -2.091 -5.563 6.305 1.00 0.00 H new ATOM 0 HA MET A 70 -4.992 -6.362 6.301 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.262 -4.940 4.279 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.447 -6.081 3.673 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.353 -4.117 5.783 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.087 -3.500 4.165 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.949 -4.311 2.196 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.701 -2.995 3.369 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.330 -3.602 2.411 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.848 -7.804 4.311 1.00 0.00 N ATOM 1085 CA GLY A 71 -2.345 -9.141 3.885 1.00 0.00 C ATOM 1086 C GLY A 71 -1.283 -8.957 2.801 1.00 0.00 C ATOM 1087 O GLY A 71 -1.323 -9.587 1.761 1.00 0.00 O ATOM 0 H GLY A 71 -2.602 -7.031 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.923 -9.673 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.167 -9.748 3.506 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.333 -8.095 3.033 1.00 0.00 N ATOM 1092 CA ILE A 72 0.726 -7.864 2.015 1.00 0.00 C ATOM 1093 C ILE A 72 2.027 -7.472 2.718 1.00 0.00 C ATOM 1094 O ILE A 72 2.106 -6.460 3.386 1.00 0.00 O ATOM 1095 CB ILE A 72 0.290 -6.739 1.076 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.957 -7.179 0.305 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.418 -6.429 0.089 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -2.207 -6.815 1.108 1.00 0.00 C ATOM 0 H ILE A 72 -0.245 -7.541 3.885 1.00 0.00 H new ATOM 0 HA ILE A 72 0.886 -8.775 1.438 1.00 0.00 H new ATOM 0 HB ILE A 72 0.064 -5.845 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.984 -6.694 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.927 -8.254 0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.106 -5.627 -0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.307 -6.118 0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.646 -7.321 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.096 -7.128 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.179 -7.321 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.238 -5.737 1.264 1.00 0.00 H new ATOM 1110 N VAL A 73 3.042 -8.277 2.581 1.00 0.00 N ATOM 1111 CA VAL A 73 4.340 -7.971 3.247 1.00 0.00 C ATOM 1112 C VAL A 73 5.207 -7.101 2.332 1.00 0.00 C ATOM 1113 O VAL A 73 4.891 -6.884 1.179 1.00 0.00 O ATOM 1114 CB VAL A 73 5.068 -9.282 3.545 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.248 -9.011 4.480 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.094 -10.250 4.220 1.00 0.00 C ATOM 0 H VAL A 73 3.030 -9.138 2.034 1.00 0.00 H new ATOM 0 HA VAL A 73 4.153 -7.431 4.175 1.00 0.00 H new ATOM 0 HB VAL A 73 5.438 -9.717 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.766 -9.946 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.937 -8.314 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.882 -8.580 5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.605 -11.188 4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.731 -9.812 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.251 -10.441 3.555 1.00 0.00 H new ATOM 1126 N VAL A 74 6.301 -6.601 2.843 1.00 0.00 N ATOM 1127 CA VAL A 74 7.193 -5.745 2.011 1.00 0.00 C ATOM 1128 C VAL A 74 8.650 -5.991 2.407 1.00 0.00 C ATOM 1129 O VAL A 74 8.986 -6.045 3.574 1.00 0.00 O ATOM 1130 CB VAL A 74 6.844 -4.274 2.237 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.714 -3.401 1.332 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.370 -4.042 1.903 1.00 0.00 C ATOM 0 H VAL A 74 6.615 -6.749 3.802 1.00 0.00 H new ATOM 0 HA VAL A 74 7.056 -5.993 0.958 1.00 0.00 H new ATOM 0 HB VAL A 74 7.025 -4.013 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.467 -2.352 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.765 -3.566 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.531 -3.662 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.121 -2.993 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.188 -4.302 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.749 -4.665 2.546 1.00 0.00 H new ATOM 1142 N GLU A 75 9.517 -6.140 1.444 1.00 0.00 N ATOM 1143 CA GLU A 75 10.952 -6.383 1.760 1.00 0.00 C ATOM 1144 C GLU A 75 11.762 -5.126 1.440 1.00 0.00 C ATOM 1145 O GLU A 75 11.729 -4.616 0.338 1.00 0.00 O ATOM 1146 CB GLU A 75 11.468 -7.552 0.917 1.00 0.00 C ATOM 1147 CG GLU A 75 12.020 -8.643 1.836 1.00 0.00 C ATOM 1148 CD GLU A 75 13.216 -9.320 1.166 1.00 0.00 C ATOM 1149 OE1 GLU A 75 13.400 -9.112 -0.022 1.00 0.00 O ATOM 1150 OE2 GLU A 75 13.929 -10.034 1.852 1.00 0.00 O ATOM 0 H GLU A 75 9.293 -6.104 0.450 1.00 0.00 H new ATOM 0 HA GLU A 75 11.057 -6.624 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.662 -7.954 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.247 -7.207 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.321 -8.211 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.245 -9.379 2.050 1.00 0.00 H new ATOM 1157 N ASP A 76 12.490 -4.619 2.398 1.00 0.00 N ATOM 1158 CA ASP A 76 13.299 -3.395 2.146 1.00 0.00 C ATOM 1159 C ASP A 76 14.534 -3.762 1.321 1.00 0.00 C ATOM 1160 O ASP A 76 14.404 -4.590 0.434 1.00 0.00 O ATOM 1161 CB ASP A 76 13.738 -2.791 3.482 1.00 0.00 C ATOM 1162 CG ASP A 76 14.254 -1.370 3.251 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.736 -0.709 2.367 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.160 -0.967 3.963 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.588 -3.212 1.590 1.00 0.00 O ATOM 0 H ASP A 76 12.559 -4.999 3.342 1.00 0.00 H new ATOM 0 HA ASP A 76 12.699 -2.668 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.901 -2.777 4.180 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.518 -3.405 3.932 1.00 0.00 H new TER 1170 ASP A 76