USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 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 34 THR OG1 : rot 49:sc= -8.83! USER MOD Set 1.2: A 53 SER OG : rot 45:sc= -3.27! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc=-0.00159 X(o=-0.0016,f=0) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -3.86! C(o=-4.7!,f=-3.9!) USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= -0.119 (180deg=-0.738) USER MOD Single : A 13 ASN : amide:sc= 0.00676 X(o=0.0068,f=0) USER MOD Single : A 14 MET CE :methyl -118:sc= -0.243 (180deg=-1.03) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -3.82! C(o=-5.6!,f=-3.8!) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00662) USER MOD Single : A 31 ASN : amide:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 36 CYS SG : rot 62:sc= -6.33! USER MOD Single : A 40 SER OG : rot 72:sc= 1.02 USER MOD Single : A 43 THR OG1 : rot -159:sc= -2.23! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0929) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -154:sc= -20.7! (180deg=-24.4!) USER MOD Single : A 66 GLN : amide:sc= -6.04! C(o=-6!,f=-5.8!) USER MOD Single : A 67 LYS NZ :NH3+ 144:sc= -0.217 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.107 8.334 4.313 1.00 0.00 N ATOM 2 CA PRO A 1 -3.010 7.329 3.208 1.00 0.00 C ATOM 3 C PRO A 1 -3.583 5.988 3.675 1.00 0.00 C ATOM 4 O PRO A 1 -4.405 5.390 3.010 1.00 0.00 O ATOM 5 CB PRO A 1 -1.536 7.163 2.843 1.00 0.00 C ATOM 6 CG PRO A 1 -0.735 8.076 3.762 1.00 0.00 C ATOM 7 CD PRO A 1 -1.732 8.810 4.657 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.551 7.917 5.131 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.690 9.120 4.025 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.577 7.667 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -1.224 6.126 2.966 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.367 7.425 1.799 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.034 7.497 4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.146 8.785 3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.514 8.616 5.707 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -1.654 9.887 4.509 1.00 0.00 H new ATOM 17 N ILE A 2 -3.157 5.513 4.814 1.00 0.00 N ATOM 18 CA ILE A 2 -3.681 4.213 5.322 1.00 0.00 C ATOM 19 C ILE A 2 -5.152 4.375 5.705 1.00 0.00 C ATOM 20 O ILE A 2 -6.020 3.706 5.177 1.00 0.00 O ATOM 21 CB ILE A 2 -2.878 3.782 6.551 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.395 4.092 6.331 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.054 2.279 6.773 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.969 3.613 4.941 1.00 0.00 C ATOM 0 H ILE A 2 -2.469 5.968 5.414 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.587 3.454 4.545 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.236 4.326 7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.219 5.163 6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.793 3.601 7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.482 1.971 7.648 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.109 2.056 6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.696 1.738 5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.087 3.835 4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.129 2.538 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.561 4.125 4.182 1.00 0.00 H new ATOM 36 N SER A 3 -5.441 5.262 6.618 1.00 0.00 N ATOM 37 CA SER A 3 -6.855 5.467 7.030 1.00 0.00 C ATOM 38 C SER A 3 -7.709 5.731 5.790 1.00 0.00 C ATOM 39 O SER A 3 -8.858 5.343 5.721 1.00 0.00 O ATOM 40 CB SER A 3 -6.942 6.661 7.978 1.00 0.00 C ATOM 41 OG SER A 3 -8.279 7.144 8.007 1.00 0.00 O ATOM 0 H SER A 3 -4.759 5.852 7.095 1.00 0.00 H new ATOM 0 HA SER A 3 -7.221 4.576 7.540 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.628 6.368 8.980 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.266 7.450 7.650 1.00 0.00 H new ATOM 0 HG SER A 3 -8.337 7.909 8.616 1.00 0.00 H new ATOM 47 N GLN A 4 -7.152 6.380 4.802 1.00 0.00 N ATOM 48 CA GLN A 4 -7.932 6.655 3.564 1.00 0.00 C ATOM 49 C GLN A 4 -8.274 5.325 2.895 1.00 0.00 C ATOM 50 O GLN A 4 -9.413 5.057 2.562 1.00 0.00 O ATOM 51 CB GLN A 4 -7.098 7.513 2.608 1.00 0.00 C ATOM 52 CG GLN A 4 -7.323 8.993 2.920 1.00 0.00 C ATOM 53 CD GLN A 4 -7.153 9.815 1.640 1.00 0.00 C ATOM 54 OE1 GLN A 4 -7.986 10.638 1.318 1.00 0.00 O ATOM 55 NE2 GLN A 4 -6.102 9.623 0.892 1.00 0.00 N ATOM 0 H GLN A 4 -6.194 6.730 4.800 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.847 7.192 3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.041 7.266 2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.377 7.302 1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.322 9.142 3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.614 9.328 3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.403 8.932 1.163 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.979 10.164 0.036 1.00 0.00 H new ATOM 64 N VAL A 5 -7.298 4.478 2.712 1.00 0.00 N ATOM 65 CA VAL A 5 -7.581 3.161 2.085 1.00 0.00 C ATOM 66 C VAL A 5 -8.624 2.457 2.931 1.00 0.00 C ATOM 67 O VAL A 5 -9.723 2.228 2.501 1.00 0.00 O ATOM 68 CB VAL A 5 -6.307 2.309 2.051 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.527 1.046 1.214 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.153 3.123 1.464 1.00 0.00 C ATOM 0 H VAL A 5 -6.324 4.641 2.968 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.937 3.303 1.065 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.060 2.014 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.612 0.454 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.334 0.457 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.792 1.327 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.251 2.512 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.405 3.433 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.979 4.005 2.080 1.00 0.00 H new ATOM 80 N HIS A 6 -8.292 2.125 4.142 1.00 0.00 N ATOM 81 CA HIS A 6 -9.274 1.446 5.018 1.00 0.00 C ATOM 82 C HIS A 6 -10.657 2.070 4.820 1.00 0.00 C ATOM 83 O HIS A 6 -11.663 1.386 4.797 1.00 0.00 O ATOM 84 CB HIS A 6 -8.834 1.634 6.466 1.00 0.00 C ATOM 85 CG HIS A 6 -7.582 0.839 6.711 1.00 0.00 C ATOM 86 ND1 HIS A 6 -6.258 1.205 6.765 1.00 0.00 N flip ATOM 87 CD2 HIS A 6 -7.606 -0.529 6.928 1.00 0.00 C flip ATOM 88 CE1 HIS A 6 -5.473 0.082 7.011 1.00 0.00 C flip ATOM 89 NE2 HIS A 6 -6.335 -0.935 7.100 1.00 0.00 N flip ATOM 0 H HIS A 6 -7.379 2.296 4.563 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.325 0.385 4.773 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.654 2.690 6.669 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.624 1.309 7.143 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.485 -1.156 6.954 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.398 0.042 7.109 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.062 -1.902 7.277 1.00 0.00 H new ATOM 97 N GLU A 7 -10.707 3.366 4.666 1.00 0.00 N ATOM 98 CA GLU A 7 -12.019 4.048 4.476 1.00 0.00 C ATOM 99 C GLU A 7 -12.701 3.561 3.194 1.00 0.00 C ATOM 100 O GLU A 7 -13.765 2.980 3.240 1.00 0.00 O ATOM 101 CB GLU A 7 -11.801 5.560 4.392 1.00 0.00 C ATOM 102 CG GLU A 7 -11.670 6.137 5.803 1.00 0.00 C ATOM 103 CD GLU A 7 -12.865 7.045 6.097 1.00 0.00 C ATOM 104 OE1 GLU A 7 -13.972 6.662 5.756 1.00 0.00 O ATOM 105 OE2 GLU A 7 -12.653 8.108 6.657 1.00 0.00 O ATOM 0 H GLU A 7 -9.894 3.982 4.664 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.660 3.812 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.902 5.777 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.636 6.030 3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.625 5.330 6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.741 6.701 5.892 1.00 0.00 H new ATOM 112 N ILE A 8 -12.117 3.808 2.051 1.00 0.00 N ATOM 113 CA ILE A 8 -12.761 3.372 0.776 1.00 0.00 C ATOM 114 C ILE A 8 -12.769 1.845 0.674 1.00 0.00 C ATOM 115 O ILE A 8 -13.777 1.236 0.385 1.00 0.00 O ATOM 116 CB ILE A 8 -11.978 3.949 -0.407 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.492 3.597 -0.273 1.00 0.00 C ATOM 118 CG2 ILE A 8 -12.139 5.469 -0.434 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.194 2.302 -1.036 1.00 0.00 C ATOM 0 H ILE A 8 -11.225 4.291 1.945 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.789 3.733 0.760 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.366 3.523 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.880 4.409 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.230 3.479 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.582 5.879 -1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.194 5.721 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.756 5.892 0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.137 2.057 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.795 1.491 -0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.439 2.436 -2.090 1.00 0.00 H new ATOM 131 N GLY A 9 -11.648 1.231 0.889 1.00 0.00 N ATOM 132 CA GLY A 9 -11.561 -0.244 0.789 1.00 0.00 C ATOM 133 C GLY A 9 -12.721 -0.881 1.547 1.00 0.00 C ATOM 134 O GLY A 9 -13.462 -1.677 1.008 1.00 0.00 O ATOM 0 H GLY A 9 -10.774 1.696 1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.587 -0.549 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.612 -0.590 1.199 1.00 0.00 H new ATOM 138 N ILE A 10 -12.888 -0.546 2.794 1.00 0.00 N ATOM 139 CA ILE A 10 -14.007 -1.153 3.566 1.00 0.00 C ATOM 140 C ILE A 10 -15.345 -0.608 3.049 1.00 0.00 C ATOM 141 O ILE A 10 -16.345 -1.299 3.032 1.00 0.00 O ATOM 142 CB ILE A 10 -13.822 -0.823 5.060 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.353 -2.083 5.770 1.00 0.00 C ATOM 144 CG2 ILE A 10 -15.134 -0.338 5.698 1.00 0.00 C ATOM 145 CD1 ILE A 10 -14.362 -3.202 5.509 1.00 0.00 C ATOM 0 H ILE A 10 -12.306 0.115 3.309 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.007 -2.236 3.440 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.089 -0.022 5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.366 -2.374 5.410 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.261 -1.900 6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.966 -0.115 6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.476 0.562 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.892 -1.117 5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.036 -4.111 6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.340 -2.907 5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.431 -3.387 4.437 1.00 0.00 H new ATOM 157 N LYS A 11 -15.372 0.630 2.654 1.00 0.00 N ATOM 158 CA LYS A 11 -16.643 1.233 2.167 1.00 0.00 C ATOM 159 C LYS A 11 -16.955 0.744 0.752 1.00 0.00 C ATOM 160 O LYS A 11 -17.992 1.048 0.197 1.00 0.00 O ATOM 161 CB LYS A 11 -16.495 2.754 2.152 1.00 0.00 C ATOM 162 CG LYS A 11 -17.026 3.336 3.463 1.00 0.00 C ATOM 163 CD LYS A 11 -18.550 3.446 3.391 1.00 0.00 C ATOM 164 CE LYS A 11 -19.121 3.560 4.807 1.00 0.00 C ATOM 165 NZ LYS A 11 -18.901 2.279 5.535 1.00 0.00 N ATOM 0 H LYS A 11 -14.566 1.255 2.647 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.457 0.938 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.448 3.026 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.042 3.174 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.736 2.700 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.588 4.318 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.835 4.317 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.965 2.572 2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.640 4.381 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.186 3.788 4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.653 2.148 6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.919 1.488 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.978 2.305 6.013 1.00 0.00 H new ATOM 179 N ARG A 12 -16.068 0.000 0.160 1.00 0.00 N ATOM 180 CA ARG A 12 -16.319 -0.493 -1.225 1.00 0.00 C ATOM 181 C ARG A 12 -16.054 -1.994 -1.290 1.00 0.00 C ATOM 182 O ARG A 12 -15.965 -2.571 -2.356 1.00 0.00 O ATOM 183 CB ARG A 12 -15.387 0.230 -2.199 1.00 0.00 C ATOM 184 CG ARG A 12 -16.171 0.648 -3.444 1.00 0.00 C ATOM 185 CD ARG A 12 -17.381 1.488 -3.027 1.00 0.00 C ATOM 186 NE ARG A 12 -17.758 2.418 -4.131 1.00 0.00 N ATOM 187 CZ ARG A 12 -16.833 2.988 -4.855 1.00 0.00 C ATOM 188 NH1 ARG A 12 -16.262 4.086 -4.438 1.00 0.00 N ATOM 189 NH2 ARG A 12 -16.479 2.463 -5.996 1.00 0.00 N ATOM 0 H ARG A 12 -15.181 -0.289 0.571 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.356 -0.296 -1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.952 1.107 -1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.560 -0.423 -2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.531 1.221 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -16.499 -0.234 -3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -18.221 0.837 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -17.148 2.055 -2.126 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.742 2.609 -4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.539 4.498 -3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.539 4.531 -5.003 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.925 1.606 -6.323 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.756 2.910 -6.560 1.00 0.00 H new ATOM 203 N ASN A 13 -15.920 -2.628 -0.158 1.00 0.00 N ATOM 204 CA ASN A 13 -15.652 -4.093 -0.143 1.00 0.00 C ATOM 205 C ASN A 13 -14.170 -4.348 -0.424 1.00 0.00 C ATOM 206 O ASN A 13 -13.691 -5.457 -0.302 1.00 0.00 O ATOM 207 CB ASN A 13 -16.501 -4.785 -1.213 1.00 0.00 C ATOM 208 CG ASN A 13 -17.148 -6.039 -0.622 1.00 0.00 C ATOM 209 OD1 ASN A 13 -18.343 -6.071 -0.397 1.00 0.00 O ATOM 210 ND2 ASN A 13 -16.407 -7.080 -0.360 1.00 0.00 N ATOM 0 H ASN A 13 -15.985 -2.192 0.762 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.909 -4.494 0.837 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.270 -4.104 -1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.880 -5.052 -2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.830 -7.921 0.034 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.405 -7.053 -0.549 1.00 0.00 H new ATOM 217 N MET A 14 -13.433 -3.333 -0.795 1.00 0.00 N ATOM 218 CA MET A 14 -11.990 -3.535 -1.074 1.00 0.00 C ATOM 219 C MET A 14 -11.230 -3.664 0.249 1.00 0.00 C ATOM 220 O MET A 14 -10.866 -2.686 0.866 1.00 0.00 O ATOM 221 CB MET A 14 -11.453 -2.338 -1.861 1.00 0.00 C ATOM 222 CG MET A 14 -11.352 -2.708 -3.340 1.00 0.00 C ATOM 223 SD MET A 14 -10.565 -1.355 -4.248 1.00 0.00 S ATOM 224 CE MET A 14 -10.046 -2.322 -5.686 1.00 0.00 C ATOM 0 H MET A 14 -13.771 -2.378 -0.915 1.00 0.00 H new ATOM 0 HA MET A 14 -11.853 -4.444 -1.660 1.00 0.00 H new ATOM 0 HB2 MET A 14 -12.112 -1.479 -1.734 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.474 -2.047 -1.480 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.773 -3.624 -3.458 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.345 -2.903 -3.746 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.959 -2.305 -5.763 1.00 0.00 H new ATOM 0 HE2 MET A 14 -10.386 -3.352 -5.574 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.480 -1.893 -6.589 1.00 0.00 H new ATOM 234 N THR A 15 -10.986 -4.867 0.691 1.00 0.00 N ATOM 235 CA THR A 15 -10.250 -5.045 1.974 1.00 0.00 C ATOM 236 C THR A 15 -8.985 -4.190 1.957 1.00 0.00 C ATOM 237 O THR A 15 -8.444 -3.886 0.917 1.00 0.00 O ATOM 238 CB THR A 15 -9.875 -6.521 2.169 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.367 -7.285 1.076 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.509 -7.018 3.467 1.00 0.00 C ATOM 0 H THR A 15 -11.263 -5.730 0.222 1.00 0.00 H new ATOM 0 HA THR A 15 -10.890 -4.733 2.799 1.00 0.00 H new ATOM 0 HB THR A 15 -8.791 -6.627 2.219 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.126 -8.227 1.200 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.252 -8.066 3.620 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.136 -6.427 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.592 -6.916 3.405 1.00 0.00 H new ATOM 248 N VAL A 16 -8.511 -3.802 3.104 1.00 0.00 N ATOM 249 CA VAL A 16 -7.275 -2.972 3.161 1.00 0.00 C ATOM 250 C VAL A 16 -6.296 -3.642 4.115 1.00 0.00 C ATOM 251 O VAL A 16 -6.367 -3.458 5.315 1.00 0.00 O ATOM 252 CB VAL A 16 -7.614 -1.574 3.682 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.336 -0.733 3.774 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.599 -0.904 2.723 1.00 0.00 C ATOM 0 H VAL A 16 -8.926 -4.023 4.009 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.838 -2.883 2.166 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.063 -1.654 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.581 0.262 4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.634 -1.212 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.883 -0.650 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.844 0.093 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.148 -0.826 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.509 -1.501 2.660 1.00 0.00 H new ATOM 264 N HIS A 17 -5.386 -4.426 3.610 1.00 0.00 N ATOM 265 CA HIS A 17 -4.428 -5.099 4.544 1.00 0.00 C ATOM 266 C HIS A 17 -3.002 -4.625 4.277 1.00 0.00 C ATOM 267 O HIS A 17 -2.294 -5.162 3.448 1.00 0.00 O ATOM 268 CB HIS A 17 -4.511 -6.623 4.396 1.00 0.00 C ATOM 269 CG HIS A 17 -5.831 -7.102 4.945 1.00 0.00 C ATOM 270 ND1 HIS A 17 -6.708 -8.080 4.533 1.00 0.00 N flip ATOM 271 CD2 HIS A 17 -6.398 -6.545 6.082 1.00 0.00 C flip ATOM 272 CE1 HIS A 17 -7.796 -8.128 5.399 1.00 0.00 C flip ATOM 273 NE2 HIS A 17 -7.559 -7.184 6.313 1.00 0.00 N flip ATOM 0 H HIS A 17 -5.261 -4.630 2.618 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.702 -4.832 5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.416 -6.904 3.347 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.688 -7.098 4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.982 -5.743 6.675 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.649 -8.788 5.344 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.183 -6.973 7.092 1.00 0.00 H new ATOM 281 N PHE A 18 -2.582 -3.614 4.983 1.00 0.00 N ATOM 282 CA PHE A 18 -1.212 -3.075 4.797 1.00 0.00 C ATOM 283 C PHE A 18 -0.191 -3.946 5.532 1.00 0.00 C ATOM 284 O PHE A 18 -0.279 -4.159 6.725 1.00 0.00 O ATOM 285 CB PHE A 18 -1.166 -1.654 5.354 1.00 0.00 C ATOM 286 CG PHE A 18 -1.785 -0.728 4.345 1.00 0.00 C ATOM 287 CD1 PHE A 18 -1.044 -0.329 3.234 1.00 0.00 C ATOM 288 CD2 PHE A 18 -3.103 -0.283 4.508 1.00 0.00 C ATOM 289 CE1 PHE A 18 -1.614 0.516 2.284 1.00 0.00 C ATOM 290 CE2 PHE A 18 -3.674 0.566 3.557 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.930 0.966 2.443 1.00 0.00 C ATOM 0 H PHE A 18 -3.139 -3.134 5.690 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.965 -3.073 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.706 -1.600 6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.136 -1.360 5.557 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.028 -0.675 3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.677 -0.596 5.368 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.039 0.824 1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.689 0.913 3.682 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.370 1.621 1.706 1.00 0.00 H new ATOM 301 N LYS A 19 0.784 -4.436 4.821 1.00 0.00 N ATOM 302 CA LYS A 19 1.832 -5.280 5.446 1.00 0.00 C ATOM 303 C LYS A 19 3.127 -5.083 4.661 1.00 0.00 C ATOM 304 O LYS A 19 3.203 -5.393 3.488 1.00 0.00 O ATOM 305 CB LYS A 19 1.413 -6.752 5.389 1.00 0.00 C ATOM 306 CG LYS A 19 2.185 -7.544 6.446 1.00 0.00 C ATOM 307 CD LYS A 19 1.223 -8.469 7.195 1.00 0.00 C ATOM 308 CE LYS A 19 1.749 -8.716 8.610 1.00 0.00 C ATOM 309 NZ LYS A 19 2.968 -9.570 8.545 1.00 0.00 N ATOM 0 H LYS A 19 0.899 -4.284 3.819 1.00 0.00 H new ATOM 0 HA LYS A 19 1.974 -4.998 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.341 -6.843 5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.611 -7.159 4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.974 -8.129 5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.669 -6.862 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.230 -8.021 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.123 -9.415 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.982 -7.767 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.983 -9.202 9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.296 -9.780 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.743 -10.459 8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.716 -9.068 8.026 1.00 0.00 H new ATOM 323 N VAL A 20 4.142 -4.566 5.288 1.00 0.00 N ATOM 324 CA VAL A 20 5.420 -4.347 4.561 1.00 0.00 C ATOM 325 C VAL A 20 6.152 -5.674 4.441 1.00 0.00 C ATOM 326 O VAL A 20 6.297 -6.416 5.391 1.00 0.00 O ATOM 327 CB VAL A 20 6.265 -3.322 5.314 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.627 -3.185 4.635 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.540 -1.970 5.285 1.00 0.00 C ATOM 0 H VAL A 20 4.143 -4.286 6.269 1.00 0.00 H new ATOM 0 HA VAL A 20 5.226 -3.960 3.560 1.00 0.00 H new ATOM 0 HB VAL A 20 6.410 -3.645 6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.230 -2.453 5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.135 -4.149 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.489 -2.855 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.133 -1.228 5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.406 -1.651 4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.566 -2.069 5.763 1.00 0.00 H new ATOM 339 N LEU A 21 6.587 -5.981 3.256 1.00 0.00 N ATOM 340 CA LEU A 21 7.286 -7.266 3.021 1.00 0.00 C ATOM 341 C LEU A 21 8.776 -7.079 3.272 1.00 0.00 C ATOM 342 O LEU A 21 9.474 -8.011 3.619 1.00 0.00 O ATOM 343 CB LEU A 21 7.064 -7.707 1.570 1.00 0.00 C ATOM 344 CG LEU A 21 5.721 -7.180 1.060 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.449 -7.746 -0.335 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.604 -7.616 2.012 1.00 0.00 C ATOM 0 H LEU A 21 6.486 -5.389 2.432 1.00 0.00 H new ATOM 0 HA LEU A 21 6.894 -8.027 3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.872 -7.334 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.085 -8.795 1.505 1.00 0.00 H new ATOM 0 HG LEU A 21 5.753 -6.091 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.493 -7.371 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.243 -7.436 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.418 -8.834 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.648 -7.240 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.571 -8.704 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.796 -7.214 3.007 1.00 0.00 H new ATOM 358 N ARG A 22 9.266 -5.878 3.110 1.00 0.00 N ATOM 359 CA ARG A 22 10.725 -5.639 3.352 1.00 0.00 C ATOM 360 C ARG A 22 11.188 -4.351 2.667 1.00 0.00 C ATOM 361 O ARG A 22 10.396 -3.525 2.256 1.00 0.00 O ATOM 362 CB ARG A 22 11.538 -6.807 2.788 1.00 0.00 C ATOM 363 CG ARG A 22 12.132 -7.619 3.941 1.00 0.00 C ATOM 364 CD ARG A 22 13.654 -7.666 3.797 1.00 0.00 C ATOM 365 NE ARG A 22 14.014 -8.060 2.404 1.00 0.00 N ATOM 366 CZ ARG A 22 13.289 -8.937 1.762 1.00 0.00 C ATOM 367 NH1 ARG A 22 12.902 -10.028 2.363 1.00 0.00 N ATOM 368 NH2 ARG A 22 12.950 -8.720 0.521 1.00 0.00 N ATOM 0 H ARG A 22 8.729 -5.059 2.824 1.00 0.00 H new ATOM 0 HA ARG A 22 10.879 -5.550 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.902 -7.442 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.334 -6.433 2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.860 -7.169 4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.724 -8.630 3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 22 14.082 -6.691 4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.075 -8.378 4.507 1.00 0.00 H new ATOM 0 HE ARG A 22 14.828 -7.644 1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.165 -10.196 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.336 -10.713 1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.251 -7.866 0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.384 -9.405 0.020 1.00 0.00 H new ATOM 499 N ASN A 31 14.084 2.225 0.128 1.00 0.00 N ATOM 500 CA ASN A 31 12.647 2.091 -0.246 1.00 0.00 C ATOM 501 C ASN A 31 12.095 0.791 0.340 1.00 0.00 C ATOM 502 O ASN A 31 12.833 -0.054 0.806 1.00 0.00 O ATOM 503 CB ASN A 31 12.509 2.059 -1.771 1.00 0.00 C ATOM 504 CG ASN A 31 13.507 3.034 -2.397 1.00 0.00 C ATOM 505 OD1 ASN A 31 14.253 2.671 -3.285 1.00 0.00 O ATOM 506 ND2 ASN A 31 13.551 4.267 -1.971 1.00 0.00 N ATOM 0 HA ASN A 31 12.089 2.941 0.147 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.690 1.050 -2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.493 2.327 -2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.211 4.926 -2.383 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.925 4.572 -1.226 1.00 0.00 H new ATOM 513 N PHE A 32 10.801 0.622 0.324 1.00 0.00 N ATOM 514 CA PHE A 32 10.202 -0.619 0.882 1.00 0.00 C ATOM 515 C PHE A 32 8.980 -1.019 0.052 1.00 0.00 C ATOM 516 O PHE A 32 8.166 -0.188 -0.313 1.00 0.00 O ATOM 517 CB PHE A 32 9.760 -0.370 2.327 1.00 0.00 C ATOM 518 CG PHE A 32 10.941 -0.490 3.260 1.00 0.00 C ATOM 519 CD1 PHE A 32 11.937 0.494 3.260 1.00 0.00 C ATOM 520 CD2 PHE A 32 11.036 -1.580 4.133 1.00 0.00 C ATOM 521 CE1 PHE A 32 13.027 0.386 4.130 1.00 0.00 C ATOM 522 CE2 PHE A 32 12.126 -1.687 5.004 1.00 0.00 C ATOM 523 CZ PHE A 32 13.122 -0.705 5.003 1.00 0.00 C ATOM 0 H PHE A 32 10.132 1.294 -0.053 1.00 0.00 H new ATOM 0 HA PHE A 32 10.944 -1.417 0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.318 0.622 2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.990 -1.088 2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.864 1.336 2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.268 -2.339 4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.796 1.144 4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.198 -2.528 5.677 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.964 -0.788 5.675 1.00 0.00 H new ATOM 533 N ILE A 33 8.835 -2.285 -0.230 1.00 0.00 N ATOM 534 CA ILE A 33 7.654 -2.737 -1.012 1.00 0.00 C ATOM 535 C ILE A 33 6.548 -3.109 -0.032 1.00 0.00 C ATOM 536 O ILE A 33 6.528 -4.195 0.513 1.00 0.00 O ATOM 537 CB ILE A 33 8.006 -3.964 -1.850 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.434 -3.829 -2.385 1.00 0.00 C ATOM 539 CG2 ILE A 33 7.025 -4.077 -3.017 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.468 -2.769 -3.486 1.00 0.00 C ATOM 0 H ILE A 33 9.482 -3.023 0.047 1.00 0.00 H new ATOM 0 HA ILE A 33 7.332 -1.937 -1.679 1.00 0.00 H new ATOM 0 HB ILE A 33 7.940 -4.860 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.112 -3.552 -1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.779 -4.786 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.273 -4.952 -3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.011 -4.178 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.091 -3.182 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.485 -2.673 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.803 -3.065 -4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.141 -1.812 -3.080 1.00 0.00 H new ATOM 552 N THR A 34 5.639 -2.216 0.216 1.00 0.00 N ATOM 553 CA THR A 34 4.555 -2.522 1.184 1.00 0.00 C ATOM 554 C THR A 34 3.365 -3.166 0.466 1.00 0.00 C ATOM 555 O THR A 34 2.755 -2.583 -0.408 1.00 0.00 O ATOM 556 CB THR A 34 4.112 -1.226 1.869 1.00 0.00 C ATOM 557 OG1 THR A 34 5.105 -0.814 2.799 1.00 0.00 O ATOM 558 CG2 THR A 34 2.789 -1.455 2.604 1.00 0.00 C ATOM 0 H THR A 34 5.598 -1.289 -0.208 1.00 0.00 H new ATOM 0 HA THR A 34 4.928 -3.223 1.931 1.00 0.00 H new ATOM 0 HB THR A 34 3.976 -0.451 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.985 -0.833 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.478 -0.530 3.090 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.025 -1.765 1.891 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.920 -2.233 3.356 1.00 0.00 H new ATOM 566 N ALA A 35 3.036 -4.371 0.836 1.00 0.00 N ATOM 567 CA ALA A 35 1.881 -5.069 0.199 1.00 0.00 C ATOM 568 C ALA A 35 0.570 -4.572 0.817 1.00 0.00 C ATOM 569 O ALA A 35 0.366 -4.685 2.002 1.00 0.00 O ATOM 570 CB ALA A 35 2.004 -6.562 0.466 1.00 0.00 C ATOM 0 H ALA A 35 3.519 -4.907 1.557 1.00 0.00 H new ATOM 0 HA ALA A 35 1.882 -4.868 -0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.165 -7.084 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.938 -6.932 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.997 -6.741 1.541 1.00 0.00 H new ATOM 576 N CYS A 36 -0.339 -4.052 0.037 1.00 0.00 N ATOM 577 CA CYS A 36 -1.627 -3.594 0.631 1.00 0.00 C ATOM 578 C CYS A 36 -2.746 -4.388 -0.043 1.00 0.00 C ATOM 579 O CYS A 36 -2.930 -4.304 -1.236 1.00 0.00 O ATOM 580 CB CYS A 36 -1.826 -2.077 0.423 1.00 0.00 C ATOM 581 SG CYS A 36 -0.534 -1.383 -0.643 1.00 0.00 S ATOM 0 H CYS A 36 -0.248 -3.926 -0.971 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.631 -3.766 1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.804 -1.894 -0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.815 -1.571 1.388 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.602 -1.931 -1.820 1.00 0.00 H new ATOM 587 N ILE A 37 -3.463 -5.197 0.697 1.00 0.00 N ATOM 588 CA ILE A 37 -4.525 -6.035 0.060 1.00 0.00 C ATOM 589 C ILE A 37 -5.769 -5.214 -0.237 1.00 0.00 C ATOM 590 O ILE A 37 -6.227 -4.438 0.587 1.00 0.00 O ATOM 591 CB ILE A 37 -4.894 -7.221 0.983 1.00 0.00 C ATOM 592 CG1 ILE A 37 -5.134 -8.476 0.135 1.00 0.00 C ATOM 593 CG2 ILE A 37 -6.171 -6.938 1.803 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.558 -8.470 -0.426 1.00 0.00 C ATOM 0 H ILE A 37 -3.361 -5.313 1.705 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.130 -6.416 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.063 -7.368 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.414 -8.515 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.978 -9.369 0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.394 -7.796 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.016 -6.057 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.006 -6.761 1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.716 -9.366 -1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.273 -8.453 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.700 -7.587 -1.048 1.00 0.00 H new ATOM 606 N VAL A 38 -6.328 -5.453 -1.400 1.00 0.00 N ATOM 607 CA VAL A 38 -7.586 -4.784 -1.836 1.00 0.00 C ATOM 608 C VAL A 38 -8.602 -5.883 -2.118 1.00 0.00 C ATOM 609 O VAL A 38 -8.255 -6.915 -2.651 1.00 0.00 O ATOM 610 CB VAL A 38 -7.373 -4.002 -3.134 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.465 -2.502 -2.855 1.00 0.00 C ATOM 612 CG2 VAL A 38 -6.008 -4.351 -3.731 1.00 0.00 C ATOM 0 H VAL A 38 -5.947 -6.107 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.917 -4.093 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.148 -4.273 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.313 -1.949 -3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.449 -2.267 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.699 -2.218 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.861 -3.792 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.223 -4.091 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.966 -5.419 -3.943 1.00 0.00 H new ATOM 622 N GLY A 39 -9.838 -5.670 -1.770 1.00 0.00 N ATOM 623 CA GLY A 39 -10.885 -6.708 -2.017 1.00 0.00 C ATOM 624 C GLY A 39 -10.864 -7.136 -3.485 1.00 0.00 C ATOM 625 O GLY A 39 -11.621 -6.642 -4.297 1.00 0.00 O ATOM 0 H GLY A 39 -10.174 -4.818 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.710 -7.572 -1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.868 -6.313 -1.759 1.00 0.00 H new ATOM 629 N SER A 40 -10.002 -8.054 -3.828 1.00 0.00 N ATOM 630 CA SER A 40 -9.914 -8.527 -5.234 1.00 0.00 C ATOM 631 C SER A 40 -8.555 -9.195 -5.438 1.00 0.00 C ATOM 632 O SER A 40 -8.452 -10.259 -6.017 1.00 0.00 O ATOM 633 CB SER A 40 -10.047 -7.340 -6.189 1.00 0.00 C ATOM 634 OG SER A 40 -11.366 -7.309 -6.720 1.00 0.00 O ATOM 0 H SER A 40 -9.348 -8.500 -3.184 1.00 0.00 H new ATOM 0 HA SER A 40 -10.716 -9.236 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.832 -6.410 -5.663 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.320 -7.425 -6.996 1.00 0.00 H new ATOM 0 HG SER A 40 -11.994 -7.030 -6.021 1.00 0.00 H new ATOM 640 N ILE A 41 -7.510 -8.573 -4.964 1.00 0.00 N ATOM 641 CA ILE A 41 -6.151 -9.153 -5.122 1.00 0.00 C ATOM 642 C ILE A 41 -5.182 -8.374 -4.236 1.00 0.00 C ATOM 643 O ILE A 41 -5.576 -7.481 -3.508 1.00 0.00 O ATOM 644 CB ILE A 41 -5.682 -9.036 -6.577 1.00 0.00 C ATOM 645 CG1 ILE A 41 -6.629 -8.149 -7.398 1.00 0.00 C ATOM 646 CG2 ILE A 41 -5.620 -10.427 -7.208 1.00 0.00 C ATOM 647 CD1 ILE A 41 -6.741 -6.770 -6.743 1.00 0.00 C ATOM 0 H ILE A 41 -7.542 -7.681 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.179 -10.205 -4.839 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.693 -8.578 -6.579 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.257 -8.049 -8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.613 -8.613 -7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.287 -10.343 -8.242 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.919 -11.049 -6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.610 -10.883 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.414 -6.143 -7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.133 -6.878 -5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.756 -6.306 -6.702 1.00 0.00 H new ATOM 659 N VAL A 42 -3.914 -8.680 -4.297 1.00 0.00 N ATOM 660 CA VAL A 42 -2.944 -7.922 -3.461 1.00 0.00 C ATOM 661 C VAL A 42 -2.382 -6.770 -4.276 1.00 0.00 C ATOM 662 O VAL A 42 -1.901 -6.942 -5.379 1.00 0.00 O ATOM 663 CB VAL A 42 -1.771 -8.794 -3.011 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.628 -8.703 -1.492 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.996 -10.252 -3.423 1.00 0.00 C ATOM 0 H VAL A 42 -3.513 -9.413 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.477 -7.569 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.859 -8.436 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.793 -9.323 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.444 -7.668 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.545 -9.053 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.151 -10.857 -3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.910 -10.624 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.087 -10.314 -4.507 1.00 0.00 H new ATOM 675 N THR A 43 -2.421 -5.605 -3.726 1.00 0.00 N ATOM 676 CA THR A 43 -1.873 -4.425 -4.432 1.00 0.00 C ATOM 677 C THR A 43 -0.751 -3.845 -3.579 1.00 0.00 C ATOM 678 O THR A 43 -0.978 -3.021 -2.721 1.00 0.00 O ATOM 679 CB THR A 43 -2.976 -3.380 -4.625 1.00 0.00 C ATOM 680 OG1 THR A 43 -3.944 -3.880 -5.537 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.372 -2.086 -5.177 1.00 0.00 C ATOM 0 H THR A 43 -2.814 -5.412 -2.805 1.00 0.00 H new ATOM 0 HA THR A 43 -1.492 -4.711 -5.412 1.00 0.00 H new ATOM 0 HB THR A 43 -3.450 -3.173 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.451 -3.133 -5.918 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.160 -1.345 -5.313 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.631 -1.703 -4.476 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.894 -2.287 -6.136 1.00 0.00 H new ATOM 689 N GLU A 44 0.456 -4.283 -3.782 1.00 0.00 N ATOM 690 CA GLU A 44 1.570 -3.745 -2.958 1.00 0.00 C ATOM 691 C GLU A 44 2.015 -2.402 -3.516 1.00 0.00 C ATOM 692 O GLU A 44 1.390 -1.838 -4.392 1.00 0.00 O ATOM 693 CB GLU A 44 2.756 -4.707 -2.971 1.00 0.00 C ATOM 694 CG GLU A 44 3.218 -4.934 -4.412 1.00 0.00 C ATOM 695 CD GLU A 44 2.827 -6.345 -4.856 1.00 0.00 C ATOM 696 OE1 GLU A 44 2.122 -7.004 -4.111 1.00 0.00 O ATOM 697 OE2 GLU A 44 3.240 -6.741 -5.933 1.00 0.00 O ATOM 0 H GLU A 44 0.719 -4.983 -4.475 1.00 0.00 H new ATOM 0 HA GLU A 44 1.218 -3.625 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.574 -4.300 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.472 -5.656 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.764 -4.195 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.298 -4.805 -4.484 1.00 0.00 H new ATOM 704 N GLY A 45 3.096 -1.889 -3.011 1.00 0.00 N ATOM 705 CA GLY A 45 3.598 -0.578 -3.505 1.00 0.00 C ATOM 706 C GLY A 45 5.049 -0.428 -3.078 1.00 0.00 C ATOM 707 O GLY A 45 5.527 -1.159 -2.243 1.00 0.00 O ATOM 0 H GLY A 45 3.657 -2.320 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.515 -0.525 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.997 0.236 -3.099 1.00 0.00 H new ATOM 711 N GLU A 46 5.762 0.503 -3.639 1.00 0.00 N ATOM 712 CA GLU A 46 7.183 0.666 -3.242 1.00 0.00 C ATOM 713 C GLU A 46 7.412 2.086 -2.730 1.00 0.00 C ATOM 714 O GLU A 46 7.695 2.994 -3.487 1.00 0.00 O ATOM 715 CB GLU A 46 8.092 0.397 -4.443 1.00 0.00 C ATOM 716 CG GLU A 46 7.321 0.602 -5.750 1.00 0.00 C ATOM 717 CD GLU A 46 8.262 0.395 -6.938 1.00 0.00 C ATOM 718 OE1 GLU A 46 8.874 -0.658 -7.006 1.00 0.00 O ATOM 719 OE2 GLU A 46 8.356 1.293 -7.758 1.00 0.00 O ATOM 0 H GLU A 46 5.426 1.153 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 46 7.418 -0.045 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.953 1.064 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.476 -0.622 -4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.488 -0.099 -5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.896 1.605 -5.780 1.00 0.00 H new ATOM 726 N GLY A 47 7.300 2.281 -1.447 1.00 0.00 N ATOM 727 CA GLY A 47 7.522 3.642 -0.882 1.00 0.00 C ATOM 728 C GLY A 47 9.002 3.807 -0.561 1.00 0.00 C ATOM 729 O GLY A 47 9.833 3.049 -1.012 1.00 0.00 O ATOM 0 H GLY A 47 7.065 1.559 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.204 4.403 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.923 3.779 0.019 1.00 0.00 H new ATOM 798 N VAL A 52 7.410 4.960 5.779 1.00 0.00 N ATOM 799 CA VAL A 52 6.767 5.497 4.548 1.00 0.00 C ATOM 800 C VAL A 52 6.155 4.348 3.749 1.00 0.00 C ATOM 801 O VAL A 52 5.054 4.446 3.248 1.00 0.00 O ATOM 802 CB VAL A 52 7.827 6.215 3.703 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.633 5.206 2.876 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.142 7.210 2.764 1.00 0.00 C ATOM 0 HA VAL A 52 5.979 6.200 4.818 1.00 0.00 H new ATOM 0 HB VAL A 52 8.507 6.743 4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.380 5.735 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.131 4.503 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.962 4.661 2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.895 7.721 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.454 6.677 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.588 7.943 3.351 1.00 0.00 H new ATOM 814 N SER A 53 6.874 3.267 3.624 1.00 0.00 N ATOM 815 CA SER A 53 6.363 2.095 2.851 1.00 0.00 C ATOM 816 C SER A 53 4.855 1.933 3.059 1.00 0.00 C ATOM 817 O SER A 53 4.120 1.654 2.137 1.00 0.00 O ATOM 818 CB SER A 53 7.080 0.829 3.316 1.00 0.00 C ATOM 819 OG SER A 53 7.220 -0.062 2.217 1.00 0.00 O ATOM 0 H SER A 53 7.803 3.142 4.027 1.00 0.00 H new ATOM 0 HA SER A 53 6.555 2.261 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.060 1.080 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.516 0.351 4.117 1.00 0.00 H new ATOM 0 HG SER A 53 7.525 0.435 1.430 1.00 0.00 H new ATOM 825 N LYS A 54 4.386 2.105 4.262 1.00 0.00 N ATOM 826 CA LYS A 54 2.918 1.962 4.511 1.00 0.00 C ATOM 827 C LYS A 54 2.162 3.046 3.736 1.00 0.00 C ATOM 828 O LYS A 54 1.364 2.756 2.867 1.00 0.00 O ATOM 829 CB LYS A 54 2.615 2.090 6.010 1.00 0.00 C ATOM 830 CG LYS A 54 3.590 3.070 6.672 1.00 0.00 C ATOM 831 CD LYS A 54 2.812 4.039 7.564 1.00 0.00 C ATOM 832 CE LYS A 54 3.461 4.095 8.948 1.00 0.00 C ATOM 833 NZ LYS A 54 2.406 4.264 9.986 1.00 0.00 N ATOM 0 H LYS A 54 4.948 2.337 5.081 1.00 0.00 H new ATOM 0 HA LYS A 54 2.595 0.977 4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.591 2.435 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.692 1.113 6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.325 2.524 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.141 3.622 5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.801 5.033 7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.774 3.717 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.026 3.181 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.169 4.922 8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.848 4.302 10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.886 5.148 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.747 3.461 9.945 1.00 0.00 H new ATOM 847 N LYS A 55 2.407 4.293 4.037 1.00 0.00 N ATOM 848 CA LYS A 55 1.702 5.385 3.309 1.00 0.00 C ATOM 849 C LYS A 55 1.796 5.126 1.804 1.00 0.00 C ATOM 850 O LYS A 55 0.800 4.939 1.132 1.00 0.00 O ATOM 851 CB LYS A 55 2.365 6.725 3.638 1.00 0.00 C ATOM 852 CG LYS A 55 2.134 7.062 5.112 1.00 0.00 C ATOM 853 CD LYS A 55 3.483 7.217 5.818 1.00 0.00 C ATOM 854 CE LYS A 55 4.113 8.555 5.428 1.00 0.00 C ATOM 855 NZ LYS A 55 5.405 8.726 6.152 1.00 0.00 N ATOM 0 H LYS A 55 3.064 4.601 4.754 1.00 0.00 H new ATOM 0 HA LYS A 55 0.655 5.414 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.434 6.675 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.953 7.511 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.558 7.983 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.550 6.275 5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.348 7.168 6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.146 6.397 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.280 8.591 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.436 9.373 5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.673 9.731 6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.300 8.396 7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.145 8.170 5.678 1.00 0.00 H new ATOM 869 N ARG A 56 2.987 5.109 1.273 1.00 0.00 N ATOM 870 CA ARG A 56 3.151 4.859 -0.185 1.00 0.00 C ATOM 871 C ARG A 56 2.251 3.695 -0.603 1.00 0.00 C ATOM 872 O ARG A 56 1.294 3.886 -1.322 1.00 0.00 O ATOM 873 CB ARG A 56 4.611 4.522 -0.484 1.00 0.00 C ATOM 874 CG ARG A 56 5.383 5.818 -0.742 1.00 0.00 C ATOM 875 CD ARG A 56 5.245 6.209 -2.213 1.00 0.00 C ATOM 876 NE ARG A 56 4.106 7.157 -2.369 1.00 0.00 N ATOM 877 CZ ARG A 56 3.972 7.843 -3.470 1.00 0.00 C ATOM 878 NH1 ARG A 56 4.575 8.993 -3.598 1.00 0.00 N ATOM 879 NH2 ARG A 56 3.234 7.381 -4.441 1.00 0.00 N ATOM 0 H ARG A 56 3.855 5.258 1.788 1.00 0.00 H new ATOM 0 HA ARG A 56 2.869 5.751 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.052 3.983 0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.675 3.867 -1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.999 6.615 -0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.434 5.684 -0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.167 6.670 -2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.079 5.321 -2.823 1.00 0.00 H new ATOM 0 HE ARG A 56 3.430 7.270 -1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.150 9.355 -2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.471 9.530 -4.459 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.761 6.483 -4.339 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.129 7.918 -5.302 1.00 0.00 H new ATOM 893 N ALA A 57 2.555 2.496 -0.159 1.00 0.00 N ATOM 894 CA ALA A 57 1.721 1.307 -0.523 1.00 0.00 C ATOM 895 C ALA A 57 0.256 1.731 -0.641 1.00 0.00 C ATOM 896 O ALA A 57 -0.418 1.412 -1.597 1.00 0.00 O ATOM 897 CB ALA A 57 1.847 0.222 0.561 1.00 0.00 C ATOM 0 H ALA A 57 3.351 2.291 0.444 1.00 0.00 H new ATOM 0 HA ALA A 57 2.070 0.906 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.237 -0.639 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.889 -0.085 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.505 0.620 1.516 1.00 0.00 H new ATOM 903 N ALA A 58 -0.234 2.459 0.326 1.00 0.00 N ATOM 904 CA ALA A 58 -1.651 2.919 0.275 1.00 0.00 C ATOM 905 C ALA A 58 -1.868 3.741 -0.996 1.00 0.00 C ATOM 906 O ALA A 58 -2.754 3.462 -1.778 1.00 0.00 O ATOM 907 CB ALA A 58 -1.956 3.783 1.502 1.00 0.00 C ATOM 0 H ALA A 58 0.288 2.755 1.151 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.315 2.055 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.992 4.118 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.798 3.197 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.295 4.649 1.510 1.00 0.00 H new ATOM 913 N GLU A 59 -1.066 4.750 -1.218 1.00 0.00 N ATOM 914 CA GLU A 59 -1.244 5.565 -2.453 1.00 0.00 C ATOM 915 C GLU A 59 -1.331 4.619 -3.645 1.00 0.00 C ATOM 916 O GLU A 59 -2.128 4.798 -4.538 1.00 0.00 O ATOM 917 CB GLU A 59 -0.052 6.507 -2.641 1.00 0.00 C ATOM 918 CG GLU A 59 -0.321 7.826 -1.915 1.00 0.00 C ATOM 919 CD GLU A 59 -0.142 8.992 -2.890 1.00 0.00 C ATOM 920 OE1 GLU A 59 0.754 8.915 -3.716 1.00 0.00 O ATOM 921 OE2 GLU A 59 -0.903 9.941 -2.795 1.00 0.00 O ATOM 0 H GLU A 59 -0.305 5.041 -0.605 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.153 6.162 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.855 6.044 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.115 6.692 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.332 7.830 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.361 7.935 -1.072 1.00 0.00 H new ATOM 928 N LYS A 60 -0.517 3.604 -3.653 1.00 0.00 N ATOM 929 CA LYS A 60 -0.543 2.626 -4.772 1.00 0.00 C ATOM 930 C LYS A 60 -1.919 1.962 -4.820 1.00 0.00 C ATOM 931 O LYS A 60 -2.480 1.735 -5.873 1.00 0.00 O ATOM 932 CB LYS A 60 0.533 1.562 -4.527 1.00 0.00 C ATOM 933 CG LYS A 60 1.161 1.150 -5.860 1.00 0.00 C ATOM 934 CD LYS A 60 2.333 2.080 -6.182 1.00 0.00 C ATOM 935 CE LYS A 60 1.828 3.276 -6.992 1.00 0.00 C ATOM 936 NZ LYS A 60 2.734 3.506 -8.153 1.00 0.00 N ATOM 0 H LYS A 60 0.171 3.408 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.349 3.131 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.300 1.953 -3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.094 0.693 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.506 0.117 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.417 1.197 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.802 2.424 -5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.095 1.541 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.812 3.090 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.792 4.166 -6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.392 4.319 -8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.696 3.701 -7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.747 2.659 -8.756 1.00 0.00 H new ATOM 950 N MET A 61 -2.461 1.651 -3.676 1.00 0.00 N ATOM 951 CA MET A 61 -3.797 0.996 -3.616 1.00 0.00 C ATOM 952 C MET A 61 -4.891 1.981 -4.043 1.00 0.00 C ATOM 953 O MET A 61 -5.490 1.845 -5.095 1.00 0.00 O ATOM 954 CB MET A 61 -4.050 0.550 -2.176 1.00 0.00 C ATOM 955 CG MET A 61 -5.503 0.112 -2.014 1.00 0.00 C ATOM 956 SD MET A 61 -5.578 -1.222 -0.799 1.00 0.00 S ATOM 957 CE MET A 61 -4.598 -2.419 -1.738 1.00 0.00 C ATOM 0 H MET A 61 -2.029 1.825 -2.768 1.00 0.00 H new ATOM 0 HA MET A 61 -3.816 0.140 -4.291 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.383 -0.272 -1.919 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.829 1.367 -1.489 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.116 0.953 -1.690 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.904 -0.225 -2.970 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.874 -3.430 -1.439 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.790 -2.291 -2.803 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.539 -2.258 -1.538 1.00 0.00 H new ATOM 967 N LEU A 62 -5.165 2.968 -3.233 1.00 0.00 N ATOM 968 CA LEU A 62 -6.227 3.951 -3.590 1.00 0.00 C ATOM 969 C LEU A 62 -6.001 4.418 -5.025 1.00 0.00 C ATOM 970 O LEU A 62 -6.859 4.290 -5.875 1.00 0.00 O ATOM 971 CB LEU A 62 -6.172 5.139 -2.629 1.00 0.00 C ATOM 972 CG LEU A 62 -6.415 4.693 -1.168 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.344 5.696 -0.495 1.00 0.00 C ATOM 974 CD2 LEU A 62 -7.081 3.305 -1.072 1.00 0.00 C ATOM 0 H LEU A 62 -4.700 3.136 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.210 3.487 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.200 5.626 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.922 5.876 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.441 4.642 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.523 5.391 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.883 6.684 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.292 5.731 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.227 3.043 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.046 3.329 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.441 2.561 -1.546 1.00 0.00 H new ATOM 986 N VAL A 63 -4.843 4.935 -5.310 1.00 0.00 N ATOM 987 CA VAL A 63 -4.558 5.381 -6.698 1.00 0.00 C ATOM 988 C VAL A 63 -4.914 4.239 -7.651 1.00 0.00 C ATOM 989 O VAL A 63 -5.490 4.444 -8.699 1.00 0.00 O ATOM 990 CB VAL A 63 -3.071 5.710 -6.835 1.00 0.00 C ATOM 991 CG1 VAL A 63 -2.763 6.082 -8.281 1.00 0.00 C ATOM 992 CG2 VAL A 63 -2.717 6.884 -5.919 1.00 0.00 C ATOM 0 H VAL A 63 -4.082 5.068 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.143 6.270 -6.935 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.481 4.839 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.703 6.317 -8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.011 5.244 -8.933 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.355 6.952 -8.567 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.657 7.116 -6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.308 7.756 -6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.934 6.617 -4.885 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.569 3.033 -7.285 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.879 1.863 -8.155 1.00 0.00 C ATOM 1004 C GLU A 64 -6.377 1.823 -8.471 1.00 0.00 C ATOM 1005 O GLU A 64 -6.785 2.035 -9.596 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.484 0.571 -7.437 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.259 -0.039 -8.119 1.00 0.00 C ATOM 1008 CD GLU A 64 -3.712 -1.035 -9.189 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -4.861 -0.957 -9.594 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -2.904 -1.857 -9.585 1.00 0.00 O ATOM 0 H GLU A 64 -4.084 2.808 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.317 1.957 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.265 0.777 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.313 -0.136 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.653 0.746 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.632 -0.541 -7.382 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.202 1.533 -7.498 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.671 1.459 -7.777 1.00 0.00 C ATOM 1019 C LEU A 65 -9.123 2.702 -8.552 1.00 0.00 C ATOM 1020 O LEU A 65 -10.043 2.642 -9.343 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.487 1.351 -6.480 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.689 1.877 -5.290 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.621 2.654 -4.360 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.088 0.695 -4.535 1.00 0.00 C ATOM 0 H LEU A 65 -6.929 1.346 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.847 0.563 -8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.414 1.916 -6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.765 0.312 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.893 2.535 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.054 3.031 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.061 3.491 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.413 1.995 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.516 1.061 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.888 0.044 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.431 0.135 -5.200 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.498 3.828 -8.335 1.00 0.00 N ATOM 1037 CA GLN A 66 -8.922 5.057 -9.069 1.00 0.00 C ATOM 1038 C GLN A 66 -8.631 4.893 -10.564 1.00 0.00 C ATOM 1039 O GLN A 66 -9.427 5.263 -11.403 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.162 6.280 -8.535 1.00 0.00 C ATOM 1041 CG GLN A 66 -8.518 6.552 -7.061 1.00 0.00 C ATOM 1042 CD GLN A 66 -9.892 6.033 -6.717 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -10.866 6.316 -7.386 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -9.998 5.276 -5.679 1.00 0.00 N ATOM 0 H GLN A 66 -7.719 3.951 -7.688 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.991 5.205 -8.918 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.089 6.115 -8.629 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.404 7.155 -9.139 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.778 6.081 -6.414 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.474 7.624 -6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.171 5.048 -5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.909 4.905 -5.409 1.00 0.00 H new ATOM 1053 N LYS A 67 -7.498 4.342 -10.904 1.00 0.00 N ATOM 1054 CA LYS A 67 -7.164 4.161 -12.345 1.00 0.00 C ATOM 1055 C LYS A 67 -8.126 3.149 -12.968 1.00 0.00 C ATOM 1056 O LYS A 67 -8.506 3.263 -14.116 1.00 0.00 O ATOM 1057 CB LYS A 67 -5.729 3.647 -12.475 1.00 0.00 C ATOM 1058 CG LYS A 67 -4.757 4.827 -12.432 1.00 0.00 C ATOM 1059 CD LYS A 67 -3.320 4.306 -12.381 1.00 0.00 C ATOM 1060 CE LYS A 67 -2.744 4.255 -13.797 1.00 0.00 C ATOM 1061 NZ LYS A 67 -2.682 5.635 -14.357 1.00 0.00 N ATOM 0 H LYS A 67 -6.791 4.010 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.256 5.116 -12.862 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.507 2.950 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.611 3.099 -13.410 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.895 5.457 -13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.961 5.448 -11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.709 4.954 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.298 3.313 -11.932 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.748 3.812 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.364 3.621 -14.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.831 5.732 -14.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.527 5.813 -14.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.644 6.324 -13.579 1.00 0.00 H new ATOM 1075 N LEU A 68 -8.521 2.159 -12.219 1.00 0.00 N ATOM 1076 CA LEU A 68 -9.455 1.139 -12.760 1.00 0.00 C ATOM 1077 C LEU A 68 -10.827 1.775 -12.996 1.00 0.00 C ATOM 1078 O LEU A 68 -11.213 1.892 -14.147 1.00 0.00 O ATOM 1079 CB LEU A 68 -9.583 0.000 -11.752 1.00 0.00 C ATOM 1080 CG LEU A 68 -8.192 -0.539 -11.414 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -8.326 -1.847 -10.633 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -7.419 -0.798 -12.710 1.00 0.00 C ATOM 1083 OXT LEU A 68 -11.467 2.135 -12.023 1.00 0.00 O ATOM 0 H LEU A 68 -8.235 2.013 -11.251 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.074 0.752 -13.705 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.077 0.354 -10.847 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.203 -0.796 -12.163 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.657 0.192 -10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.334 -2.230 -10.393 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.878 -1.665 -9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.861 -2.579 -11.238 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.427 -1.182 -12.472 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.956 -1.529 -13.314 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.323 0.133 -13.268 1.00 0.00 H new