USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 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 NoAdj-H: A 36 HIS HD1 : A 36 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 65 GLN : amide:sc= -8.27! C(o=-8.3!,f=-14!) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 30:sc= 0.31 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -56:sc= 0.44 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -107:sc= 0.205 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 47 THR OG1 : rot 159:sc= 1.25 USER MOD Single : A 50 SER OG : rot -62:sc= 0.692 USER MOD Single : A 51 HIS : no HD1:sc= -0.165 X(o=-0.16,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= -0.131 (180deg=-0.652) USER MOD Single : A 62 GLN : amide:sc= -0.0249 K(o=-0.025,f=-3.1!) USER MOD Single : A 67 GLN : amide:sc= -1.43 K(o=-1.4,f=-6.4!) USER MOD Single : A 78 HIS : no HE2:sc= -6.55! C(o=-6.6!,f=-12!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -147:sc= 0.157 (180deg=-0.0872) USER MOD Single : A 93 GLN : amide:sc= -0.821 X(o=-0.82,f=-1.3!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0849 USER MOD Single : A 99 ASN : amide:sc= -0.876 K(o=-0.88,f=-2!) USER MOD Single : A 100 LYS NZ :NH3+ 160:sc= 0.172 (180deg=0.0821) USER MOD Single : A 101 HIS : no HD1:sc= -0.068 X(o=-0.068,f=-0.068) USER MOD Single : A 102 LYS NZ :NH3+ -151:sc= -0.163 (180deg=-1.26) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -7.293 -3.573 -21.685 1.00 0.00 N ATOM 2 CA GLY A 29 -6.477 -3.451 -20.491 1.00 0.00 C ATOM 3 C GLY A 29 -5.474 -4.580 -20.356 1.00 0.00 C ATOM 4 O GLY A 29 -5.757 -5.718 -20.732 1.00 0.00 O ATOM 0 HA2 GLY A 29 -5.947 -2.499 -20.513 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.123 -3.436 -19.613 1.00 0.00 H new ATOM 8 N SER A 30 -4.300 -4.266 -19.820 1.00 0.00 N ATOM 9 CA SER A 30 -3.250 -5.262 -19.641 1.00 0.00 C ATOM 10 C SER A 30 -3.561 -6.172 -18.457 1.00 0.00 C ATOM 11 O SER A 30 -3.535 -5.740 -17.304 1.00 0.00 O ATOM 12 CB SER A 30 -1.898 -4.577 -19.431 1.00 0.00 C ATOM 13 OG SER A 30 -0.849 -5.528 -19.368 1.00 0.00 O ATOM 0 H SER A 30 -4.051 -3.329 -19.502 1.00 0.00 H new ATOM 0 HA SER A 30 -3.204 -5.872 -20.543 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.711 -3.878 -20.246 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.921 -3.995 -18.510 1.00 0.00 H new ATOM 0 HG SER A 30 0.005 -5.065 -19.235 1.00 0.00 H new ATOM 19 N SER A 31 -3.854 -7.435 -18.750 1.00 0.00 N ATOM 20 CA SER A 31 -4.173 -8.407 -17.711 1.00 0.00 C ATOM 21 C SER A 31 -2.917 -8.825 -16.953 1.00 0.00 C ATOM 22 O SER A 31 -1.944 -9.286 -17.548 1.00 0.00 O ATOM 23 CB SER A 31 -4.846 -9.637 -18.323 1.00 0.00 C ATOM 24 OG SER A 31 -4.018 -10.236 -19.304 1.00 0.00 O ATOM 0 H SER A 31 -3.877 -7.809 -19.699 1.00 0.00 H new ATOM 0 HA SER A 31 -4.861 -7.937 -17.008 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.069 -10.361 -17.539 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.797 -9.350 -18.771 1.00 0.00 H new ATOM 0 HG SER A 31 -3.077 -10.079 -19.078 1.00 0.00 H new ATOM 30 N GLY A 32 -2.946 -8.659 -15.634 1.00 0.00 N ATOM 31 CA GLY A 32 -1.805 -9.023 -14.815 1.00 0.00 C ATOM 32 C GLY A 32 -1.487 -7.977 -13.765 1.00 0.00 C ATOM 33 O GLY A 32 -0.620 -7.128 -13.967 1.00 0.00 O ATOM 0 H GLY A 32 -3.740 -8.279 -15.118 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.003 -9.976 -14.325 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.934 -9.168 -15.454 1.00 0.00 H new ATOM 37 N SER A 33 -2.193 -8.037 -12.640 1.00 0.00 N ATOM 38 CA SER A 33 -1.985 -7.084 -11.556 1.00 0.00 C ATOM 39 C SER A 33 -0.661 -7.348 -10.846 1.00 0.00 C ATOM 40 O SER A 33 0.098 -6.422 -10.560 1.00 0.00 O ATOM 41 CB SER A 33 -3.138 -7.160 -10.553 1.00 0.00 C ATOM 42 OG SER A 33 -3.152 -6.026 -9.704 1.00 0.00 O ATOM 0 H SER A 33 -2.913 -8.735 -12.456 1.00 0.00 H new ATOM 0 HA SER A 33 -1.953 -6.083 -11.987 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.085 -7.229 -11.088 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.043 -8.066 -9.954 1.00 0.00 H new ATOM 0 HG SER A 33 -3.899 -6.098 -9.074 1.00 0.00 H new ATOM 48 N SER A 34 -0.390 -8.618 -10.565 1.00 0.00 N ATOM 49 CA SER A 34 0.840 -9.006 -9.886 1.00 0.00 C ATOM 50 C SER A 34 1.126 -8.078 -8.708 1.00 0.00 C ATOM 51 O SER A 34 2.268 -7.685 -8.477 1.00 0.00 O ATOM 52 CB SER A 34 2.016 -8.984 -10.864 1.00 0.00 C ATOM 53 OG SER A 34 3.182 -9.529 -10.271 1.00 0.00 O ATOM 0 H SER A 34 -1.007 -9.397 -10.797 1.00 0.00 H new ATOM 0 HA SER A 34 0.712 -10.019 -9.506 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.760 -9.552 -11.759 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.210 -7.959 -11.181 1.00 0.00 H new ATOM 0 HG SER A 34 3.391 -9.038 -9.449 1.00 0.00 H new ATOM 59 N GLY A 35 0.077 -7.733 -7.967 1.00 0.00 N ATOM 60 CA GLY A 35 0.235 -6.855 -6.823 1.00 0.00 C ATOM 61 C GLY A 35 -0.535 -7.339 -5.610 1.00 0.00 C ATOM 62 O GLY A 35 -0.718 -8.542 -5.421 1.00 0.00 O ATOM 0 H GLY A 35 -0.879 -8.046 -8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.293 -6.778 -6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.103 -5.853 -7.088 1.00 0.00 H new ATOM 66 N HIS A 36 -0.985 -6.401 -4.783 1.00 0.00 N ATOM 67 CA HIS A 36 -1.738 -6.739 -3.580 1.00 0.00 C ATOM 68 C HIS A 36 -3.218 -6.925 -3.901 1.00 0.00 C ATOM 69 O HIS A 36 -3.648 -6.729 -5.038 1.00 0.00 O ATOM 70 CB HIS A 36 -1.566 -5.648 -2.522 1.00 0.00 C ATOM 71 CG HIS A 36 -0.152 -5.478 -2.061 1.00 0.00 C ATOM 72 ND1 HIS A 36 0.269 -5.801 -0.788 1.00 0.00 N ATOM 73 CD2 HIS A 36 0.942 -5.018 -2.712 1.00 0.00 C ATOM 74 CE1 HIS A 36 1.560 -5.544 -0.675 1.00 0.00 C ATOM 75 NE2 HIS A 36 1.993 -5.069 -1.829 1.00 0.00 N ATOM 0 H HIS A 36 -0.841 -5.401 -4.924 1.00 0.00 H new ATOM 0 HA HIS A 36 -1.348 -7.679 -3.188 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.924 -4.701 -2.927 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.194 -5.885 -1.663 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.981 -4.675 -3.735 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.159 -5.696 0.210 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.952 -4.786 -2.031 1.00 0.00 H new ATOM 83 N LYS A 37 -3.994 -7.305 -2.891 1.00 0.00 N ATOM 84 CA LYS A 37 -5.426 -7.518 -3.063 1.00 0.00 C ATOM 85 C LYS A 37 -6.184 -6.196 -2.994 1.00 0.00 C ATOM 86 O LYS A 37 -7.257 -6.115 -2.396 1.00 0.00 O ATOM 87 CB LYS A 37 -5.952 -8.477 -1.993 1.00 0.00 C ATOM 88 CG LYS A 37 -5.817 -9.942 -2.370 1.00 0.00 C ATOM 89 CD LYS A 37 -6.731 -10.820 -1.532 1.00 0.00 C ATOM 90 CE LYS A 37 -8.173 -10.739 -2.010 1.00 0.00 C ATOM 91 NZ LYS A 37 -8.445 -11.697 -3.118 1.00 0.00 N ATOM 0 H LYS A 37 -3.654 -7.472 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.587 -7.958 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.414 -8.299 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.002 -8.255 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.055 -10.070 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.783 -10.259 -2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.388 -11.854 -1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.675 -10.513 -0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.844 -10.948 -1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.388 -9.725 -2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.438 -11.611 -3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.823 -11.482 -3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.265 -12.667 -2.790 1.00 0.00 H new ATOM 105 N PHE A 38 -5.621 -5.163 -3.611 1.00 0.00 N ATOM 106 CA PHE A 38 -6.244 -3.845 -3.620 1.00 0.00 C ATOM 107 C PHE A 38 -7.704 -3.937 -4.056 1.00 0.00 C ATOM 108 O PHE A 38 -8.038 -4.651 -5.002 1.00 0.00 O ATOM 109 CB PHE A 38 -5.480 -2.902 -4.552 1.00 0.00 C ATOM 110 CG PHE A 38 -4.061 -2.659 -4.126 1.00 0.00 C ATOM 111 CD1 PHE A 38 -3.783 -1.971 -2.956 1.00 0.00 C ATOM 112 CD2 PHE A 38 -3.004 -3.117 -4.897 1.00 0.00 C ATOM 113 CE1 PHE A 38 -2.477 -1.746 -2.561 1.00 0.00 C ATOM 114 CE2 PHE A 38 -1.697 -2.895 -4.507 1.00 0.00 C ATOM 115 CZ PHE A 38 -1.433 -2.208 -3.338 1.00 0.00 C ATOM 0 H PHE A 38 -4.734 -5.213 -4.112 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.210 -3.448 -2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.482 -3.319 -5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.005 -1.948 -4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.596 -1.606 -2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.204 -3.653 -5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.274 -1.210 -1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.882 -3.258 -5.116 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.412 -2.033 -3.032 1.00 0.00 H new ATOM 125 N THR A 39 -8.570 -3.209 -3.359 1.00 0.00 N ATOM 126 CA THR A 39 -9.994 -3.208 -3.671 1.00 0.00 C ATOM 127 C THR A 39 -10.695 -2.009 -3.043 1.00 0.00 C ATOM 128 O THR A 39 -10.531 -1.735 -1.854 1.00 0.00 O ATOM 129 CB THR A 39 -10.676 -4.500 -3.184 1.00 0.00 C ATOM 130 OG1 THR A 39 -12.094 -4.403 -3.361 1.00 0.00 O ATOM 131 CG2 THR A 39 -10.360 -4.760 -1.719 1.00 0.00 C ATOM 0 H THR A 39 -8.310 -2.612 -2.574 1.00 0.00 H new ATOM 0 HA THR A 39 -10.079 -3.147 -4.756 1.00 0.00 H new ATOM 0 HB THR A 39 -10.292 -5.331 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.520 -5.229 -3.050 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.853 -5.678 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.282 -4.863 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.718 -3.926 -1.116 1.00 0.00 H new ATOM 139 N ALA A 40 -11.476 -1.297 -3.848 1.00 0.00 N ATOM 140 CA ALA A 40 -12.204 -0.129 -3.370 1.00 0.00 C ATOM 141 C ALA A 40 -12.919 -0.427 -2.056 1.00 0.00 C ATOM 142 O ALA A 40 -13.669 -1.398 -1.953 1.00 0.00 O ATOM 143 CB ALA A 40 -13.200 0.339 -4.420 1.00 0.00 C ATOM 0 H ALA A 40 -11.621 -1.509 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.483 0.668 -3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.737 1.212 -4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.668 0.601 -5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.910 -0.461 -4.630 1.00 0.00 H new ATOM 149 N ARG A 41 -12.681 0.413 -1.054 1.00 0.00 N ATOM 150 CA ARG A 41 -13.301 0.237 0.254 1.00 0.00 C ATOM 151 C ARG A 41 -13.503 1.583 0.945 1.00 0.00 C ATOM 152 O ARG A 41 -12.550 2.333 1.155 1.00 0.00 O ATOM 153 CB ARG A 41 -12.442 -0.675 1.131 1.00 0.00 C ATOM 154 CG ARG A 41 -12.908 -0.746 2.576 1.00 0.00 C ATOM 155 CD ARG A 41 -12.176 -1.836 3.344 1.00 0.00 C ATOM 156 NE ARG A 41 -12.502 -3.169 2.846 1.00 0.00 N ATOM 157 CZ ARG A 41 -13.582 -3.849 3.216 1.00 0.00 C ATOM 158 NH1 ARG A 41 -14.436 -3.321 4.083 1.00 0.00 N ATOM 159 NH2 ARG A 41 -13.809 -5.057 2.719 1.00 0.00 N ATOM 0 H ARG A 41 -12.064 1.222 -1.123 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.276 -0.227 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.444 -1.679 0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.411 -0.322 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.742 0.216 3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.981 -0.937 2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.101 -1.673 3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.434 -1.771 4.401 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.866 -3.602 2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.264 -2.392 4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.265 -3.844 4.366 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.154 -5.465 2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.638 -5.578 3.004 1.00 0.00 H new ATOM 173 N PHE A 42 -14.749 1.881 1.295 1.00 0.00 N ATOM 174 CA PHE A 42 -15.077 3.136 1.961 1.00 0.00 C ATOM 175 C PHE A 42 -14.186 3.353 3.181 1.00 0.00 C ATOM 176 O PHE A 42 -13.901 2.419 3.930 1.00 0.00 O ATOM 177 CB PHE A 42 -16.548 3.146 2.382 1.00 0.00 C ATOM 178 CG PHE A 42 -16.846 2.239 3.541 1.00 0.00 C ATOM 179 CD1 PHE A 42 -16.842 0.863 3.380 1.00 0.00 C ATOM 180 CD2 PHE A 42 -17.130 2.762 4.793 1.00 0.00 C ATOM 181 CE1 PHE A 42 -17.117 0.026 4.445 1.00 0.00 C ATOM 182 CE2 PHE A 42 -17.405 1.930 5.861 1.00 0.00 C ATOM 183 CZ PHE A 42 -17.397 0.560 5.687 1.00 0.00 C ATOM 0 H PHE A 42 -15.549 1.270 1.129 1.00 0.00 H new ATOM 0 HA PHE A 42 -14.903 3.949 1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -16.836 4.164 2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.163 2.850 1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.621 0.440 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -17.136 3.833 4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -17.113 -1.045 4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.626 2.350 6.831 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.609 -0.092 6.521 1.00 0.00 H new ATOM 193 N PHE A 43 -13.748 4.593 3.373 1.00 0.00 N ATOM 194 CA PHE A 43 -12.887 4.934 4.500 1.00 0.00 C ATOM 195 C PHE A 43 -13.509 6.044 5.342 1.00 0.00 C ATOM 196 O PHE A 43 -13.260 7.228 5.113 1.00 0.00 O ATOM 197 CB PHE A 43 -11.507 5.369 4.002 1.00 0.00 C ATOM 198 CG PHE A 43 -10.678 4.235 3.470 1.00 0.00 C ATOM 199 CD1 PHE A 43 -10.491 3.085 4.219 1.00 0.00 C ATOM 200 CD2 PHE A 43 -10.084 4.321 2.221 1.00 0.00 C ATOM 201 CE1 PHE A 43 -9.729 2.040 3.733 1.00 0.00 C ATOM 202 CE2 PHE A 43 -9.321 3.279 1.729 1.00 0.00 C ATOM 203 CZ PHE A 43 -9.142 2.138 2.486 1.00 0.00 C ATOM 0 H PHE A 43 -13.975 5.378 2.763 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.777 4.046 5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.631 6.117 3.219 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.969 5.850 4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.946 3.004 5.195 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.219 5.212 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.592 1.148 4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.865 3.357 0.753 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.544 1.324 2.104 1.00 0.00 H new ATOM 213 N LYS A 44 -14.321 5.653 6.319 1.00 0.00 N ATOM 214 CA LYS A 44 -14.979 6.612 7.198 1.00 0.00 C ATOM 215 C LYS A 44 -13.958 7.527 7.867 1.00 0.00 C ATOM 216 O LYS A 44 -14.267 8.668 8.211 1.00 0.00 O ATOM 217 CB LYS A 44 -15.799 5.880 8.263 1.00 0.00 C ATOM 218 CG LYS A 44 -14.958 5.307 9.390 1.00 0.00 C ATOM 219 CD LYS A 44 -14.542 3.874 9.103 1.00 0.00 C ATOM 220 CE LYS A 44 -15.711 2.913 9.258 1.00 0.00 C ATOM 221 NZ LYS A 44 -15.396 1.563 8.712 1.00 0.00 N ATOM 0 H LYS A 44 -14.539 4.677 6.522 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.647 7.224 6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.532 6.569 8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.356 5.072 7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.070 5.923 9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.523 5.343 10.321 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.145 3.805 8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.739 3.584 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.972 2.826 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.584 3.317 8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.911 1.420 7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.374 1.489 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.683 0.836 9.398 1.00 0.00 H new ATOM 235 N GLN A 45 -12.743 7.020 8.045 1.00 0.00 N ATOM 236 CA GLN A 45 -11.678 7.793 8.672 1.00 0.00 C ATOM 237 C GLN A 45 -10.641 8.227 7.641 1.00 0.00 C ATOM 238 O GLN A 45 -10.535 7.658 6.554 1.00 0.00 O ATOM 239 CB GLN A 45 -11.005 6.973 9.775 1.00 0.00 C ATOM 240 CG GLN A 45 -11.693 7.090 11.126 1.00 0.00 C ATOM 241 CD GLN A 45 -11.012 6.267 12.201 1.00 0.00 C ATOM 242 OE1 GLN A 45 -9.784 6.182 12.250 1.00 0.00 O ATOM 243 NE2 GLN A 45 -11.807 5.654 13.070 1.00 0.00 N ATOM 0 H GLN A 45 -12.472 6.078 7.764 1.00 0.00 H new ATOM 0 HA GLN A 45 -12.122 8.686 9.112 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.985 5.925 9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.969 7.296 9.875 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.710 8.136 11.431 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.730 6.769 11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.819 5.752 12.992 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.405 5.085 13.815 1.00 0.00 H new ATOM 252 N PRO A 46 -9.858 9.259 7.988 1.00 0.00 N ATOM 253 CA PRO A 46 -8.815 9.792 7.106 1.00 0.00 C ATOM 254 C PRO A 46 -7.644 8.830 6.945 1.00 0.00 C ATOM 255 O PRO A 46 -6.702 8.842 7.739 1.00 0.00 O ATOM 256 CB PRO A 46 -8.365 11.069 7.820 1.00 0.00 C ATOM 257 CG PRO A 46 -8.688 10.833 9.256 1.00 0.00 C ATOM 258 CD PRO A 46 -9.929 9.984 9.267 1.00 0.00 C ATOM 0 HA PRO A 46 -9.184 9.961 6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.299 11.248 7.678 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.889 11.944 7.435 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.866 10.329 9.763 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.855 11.775 9.778 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.941 9.301 10.116 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.831 10.592 9.335 1.00 0.00 H new ATOM 266 N THR A 47 -7.706 7.996 5.912 1.00 0.00 N ATOM 267 CA THR A 47 -6.650 7.026 5.647 1.00 0.00 C ATOM 268 C THR A 47 -5.339 7.722 5.300 1.00 0.00 C ATOM 269 O THR A 47 -5.336 8.821 4.745 1.00 0.00 O ATOM 270 CB THR A 47 -7.035 6.077 4.497 1.00 0.00 C ATOM 271 OG1 THR A 47 -8.341 5.535 4.725 1.00 0.00 O ATOM 272 CG2 THR A 47 -6.026 4.945 4.369 1.00 0.00 C ATOM 0 H THR A 47 -8.477 7.973 5.244 1.00 0.00 H new ATOM 0 HA THR A 47 -6.519 6.444 6.559 1.00 0.00 H new ATOM 0 HB THR A 47 -7.036 6.648 3.569 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.716 5.218 3.877 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.319 4.288 3.550 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.038 5.359 4.166 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.997 4.376 5.298 1.00 0.00 H new ATOM 280 N PHE A 48 -4.226 7.075 5.629 1.00 0.00 N ATOM 281 CA PHE A 48 -2.907 7.632 5.352 1.00 0.00 C ATOM 282 C PHE A 48 -2.075 6.667 4.513 1.00 0.00 C ATOM 283 O PHE A 48 -1.764 5.558 4.948 1.00 0.00 O ATOM 284 CB PHE A 48 -2.179 7.948 6.660 1.00 0.00 C ATOM 285 CG PHE A 48 -0.792 8.489 6.458 1.00 0.00 C ATOM 286 CD1 PHE A 48 0.214 7.681 5.954 1.00 0.00 C ATOM 287 CD2 PHE A 48 -0.495 9.805 6.772 1.00 0.00 C ATOM 288 CE1 PHE A 48 1.491 8.176 5.766 1.00 0.00 C ATOM 289 CE2 PHE A 48 0.779 10.306 6.586 1.00 0.00 C ATOM 290 CZ PHE A 48 1.774 9.490 6.084 1.00 0.00 C ATOM 0 H PHE A 48 -4.211 6.164 6.088 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.040 8.554 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.764 8.672 7.226 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.123 7.042 7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.002 6.652 5.705 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.268 10.447 7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.266 7.536 5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.997 11.335 6.833 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.771 9.879 5.940 1.00 0.00 H new ATOM 300 N CYS A 49 -1.717 7.097 3.308 1.00 0.00 N ATOM 301 CA CYS A 49 -0.922 6.273 2.406 1.00 0.00 C ATOM 302 C CYS A 49 0.500 6.106 2.933 1.00 0.00 C ATOM 303 O CYS A 49 1.216 7.086 3.139 1.00 0.00 O ATOM 304 CB CYS A 49 -0.889 6.895 1.008 1.00 0.00 C ATOM 305 SG CYS A 49 0.140 5.984 -0.187 1.00 0.00 S ATOM 0 H CYS A 49 -1.965 8.013 2.933 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.388 5.289 2.348 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.907 6.953 0.624 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.518 7.917 1.085 1.00 0.00 H new ATOM 310 N SER A 50 0.902 4.858 3.150 1.00 0.00 N ATOM 311 CA SER A 50 2.237 4.561 3.657 1.00 0.00 C ATOM 312 C SER A 50 3.195 4.247 2.513 1.00 0.00 C ATOM 313 O SER A 50 3.987 3.307 2.591 1.00 0.00 O ATOM 314 CB SER A 50 2.185 3.383 4.632 1.00 0.00 C ATOM 315 OG SER A 50 3.461 3.130 5.194 1.00 0.00 O ATOM 0 H SER A 50 0.322 4.036 2.983 1.00 0.00 H new ATOM 0 HA SER A 50 2.603 5.443 4.183 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.470 3.596 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.830 2.493 4.113 1.00 0.00 H new ATOM 0 HG SER A 50 4.090 2.891 4.482 1.00 0.00 H new ATOM 321 N HIS A 51 3.118 5.041 1.449 1.00 0.00 N ATOM 322 CA HIS A 51 3.978 4.849 0.287 1.00 0.00 C ATOM 323 C HIS A 51 4.561 6.178 -0.183 1.00 0.00 C ATOM 324 O HIS A 51 5.778 6.362 -0.206 1.00 0.00 O ATOM 325 CB HIS A 51 3.196 4.190 -0.850 1.00 0.00 C ATOM 326 CG HIS A 51 3.986 4.044 -2.114 1.00 0.00 C ATOM 327 ND1 HIS A 51 4.649 2.885 -2.457 1.00 0.00 N ATOM 328 CD2 HIS A 51 4.216 4.919 -3.120 1.00 0.00 C ATOM 329 CE1 HIS A 51 5.254 3.054 -3.619 1.00 0.00 C ATOM 330 NE2 HIS A 51 5.006 4.280 -4.043 1.00 0.00 N ATOM 0 H HIS A 51 2.469 5.823 1.368 1.00 0.00 H new ATOM 0 HA HIS A 51 4.800 4.195 0.578 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.860 3.205 -0.526 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.303 4.780 -1.055 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.847 5.932 -3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.850 2.315 -4.135 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.346 4.686 -4.915 1.00 0.00 H new ATOM 338 N CYS A 52 3.683 7.103 -0.559 1.00 0.00 N ATOM 339 CA CYS A 52 4.109 8.415 -1.030 1.00 0.00 C ATOM 340 C CYS A 52 4.155 9.418 0.120 1.00 0.00 C ATOM 341 O CYS A 52 4.721 10.504 -0.010 1.00 0.00 O ATOM 342 CB CYS A 52 3.165 8.919 -2.124 1.00 0.00 C ATOM 343 SG CYS A 52 1.424 9.044 -1.603 1.00 0.00 S ATOM 0 H CYS A 52 2.672 6.967 -0.546 1.00 0.00 H new ATOM 0 HA CYS A 52 5.113 8.317 -1.443 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.504 9.899 -2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.229 8.249 -2.982 1.00 0.00 H new ATOM 348 N THR A 53 3.554 9.046 1.246 1.00 0.00 N ATOM 349 CA THR A 53 3.524 9.912 2.418 1.00 0.00 C ATOM 350 C THR A 53 2.592 11.098 2.202 1.00 0.00 C ATOM 351 O THR A 53 2.954 12.242 2.476 1.00 0.00 O ATOM 352 CB THR A 53 4.930 10.435 2.765 1.00 0.00 C ATOM 353 OG1 THR A 53 5.873 9.357 2.747 1.00 0.00 O ATOM 354 CG2 THR A 53 4.938 11.098 4.134 1.00 0.00 C ATOM 0 H THR A 53 3.081 8.151 1.371 1.00 0.00 H new ATOM 0 HA THR A 53 3.153 9.309 3.247 1.00 0.00 H new ATOM 0 HB THR A 53 5.212 11.176 2.017 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.765 9.699 2.967 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.942 11.460 4.357 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.241 11.936 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.637 10.374 4.891 1.00 0.00 H new ATOM 362 N ASP A 54 1.390 10.818 1.710 1.00 0.00 N ATOM 363 CA ASP A 54 0.404 11.863 1.458 1.00 0.00 C ATOM 364 C ASP A 54 -0.957 11.473 2.026 1.00 0.00 C ATOM 365 O ASP A 54 -1.157 10.341 2.466 1.00 0.00 O ATOM 366 CB ASP A 54 0.287 12.133 -0.042 1.00 0.00 C ATOM 367 CG ASP A 54 1.311 13.138 -0.532 1.00 0.00 C ATOM 368 OD1 ASP A 54 1.739 13.989 0.275 1.00 0.00 O ATOM 369 OD2 ASP A 54 1.685 13.073 -1.722 1.00 0.00 O ATOM 0 H ASP A 54 1.075 9.876 1.478 1.00 0.00 H new ATOM 0 HA ASP A 54 0.739 12.773 1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.411 11.197 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.714 12.501 -0.265 1.00 0.00 H new ATOM 374 N PHE A 55 -1.891 12.419 2.013 1.00 0.00 N ATOM 375 CA PHE A 55 -3.233 12.176 2.528 1.00 0.00 C ATOM 376 C PHE A 55 -4.134 11.593 1.443 1.00 0.00 C ATOM 377 O PHE A 55 -3.860 11.734 0.251 1.00 0.00 O ATOM 378 CB PHE A 55 -3.838 13.473 3.067 1.00 0.00 C ATOM 379 CG PHE A 55 -3.014 14.116 4.146 1.00 0.00 C ATOM 380 CD1 PHE A 55 -1.828 14.761 3.838 1.00 0.00 C ATOM 381 CD2 PHE A 55 -3.427 14.076 5.468 1.00 0.00 C ATOM 382 CE1 PHE A 55 -1.067 15.354 4.828 1.00 0.00 C ATOM 383 CE2 PHE A 55 -2.671 14.667 6.462 1.00 0.00 C ATOM 384 CZ PHE A 55 -1.489 15.306 6.142 1.00 0.00 C ATOM 0 H PHE A 55 -1.743 13.361 1.651 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.158 11.454 3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.958 14.178 2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.834 13.265 3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.494 14.801 2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.350 13.577 5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.144 15.854 4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.004 14.629 7.489 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.896 15.767 6.918 1.00 0.00 H new ATOM 394 N ILE A 56 -5.210 10.937 1.866 1.00 0.00 N ATOM 395 CA ILE A 56 -6.152 10.334 0.931 1.00 0.00 C ATOM 396 C ILE A 56 -7.548 10.924 1.099 1.00 0.00 C ATOM 397 O ILE A 56 -8.184 11.325 0.125 1.00 0.00 O ATOM 398 CB ILE A 56 -6.227 8.806 1.116 1.00 0.00 C ATOM 399 CG1 ILE A 56 -4.836 8.185 0.976 1.00 0.00 C ATOM 400 CG2 ILE A 56 -7.189 8.198 0.106 1.00 0.00 C ATOM 401 CD1 ILE A 56 -4.682 6.875 1.717 1.00 0.00 C ATOM 0 H ILE A 56 -5.451 10.810 2.849 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.786 10.554 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.600 8.593 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.624 8.022 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.093 8.892 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.232 7.118 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.183 8.623 0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.843 8.417 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.671 6.492 1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.862 7.035 2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.402 6.152 1.332 1.00 0.00 H new ATOM 413 N TRP A 57 -8.016 10.976 2.341 1.00 0.00 N ATOM 414 CA TRP A 57 -9.337 11.520 2.637 1.00 0.00 C ATOM 415 C TRP A 57 -9.386 13.016 2.350 1.00 0.00 C ATOM 416 O TRP A 57 -9.056 13.834 3.208 1.00 0.00 O ATOM 417 CB TRP A 57 -9.704 11.256 4.098 1.00 0.00 C ATOM 418 CG TRP A 57 -10.969 11.937 4.525 1.00 0.00 C ATOM 419 CD1 TRP A 57 -11.079 13.155 5.132 1.00 0.00 C ATOM 420 CD2 TRP A 57 -12.303 11.437 4.379 1.00 0.00 C ATOM 421 NE1 TRP A 57 -12.401 13.443 5.373 1.00 0.00 N ATOM 422 CE2 TRP A 57 -13.172 12.405 4.919 1.00 0.00 C ATOM 423 CE3 TRP A 57 -12.848 10.267 3.842 1.00 0.00 C ATOM 424 CZ2 TRP A 57 -14.554 12.236 4.937 1.00 0.00 C ATOM 425 CZ3 TRP A 57 -14.219 10.101 3.862 1.00 0.00 C ATOM 426 CH2 TRP A 57 -15.060 11.082 4.406 1.00 0.00 C ATOM 0 H TRP A 57 -7.501 10.649 3.159 1.00 0.00 H new ATOM 0 HA TRP A 57 -10.061 11.022 1.992 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.809 10.182 4.250 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.886 11.590 4.737 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -10.249 13.798 5.386 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.751 14.292 5.818 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -12.208 9.506 3.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -15.204 12.990 5.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.651 9.200 3.452 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.128 10.923 4.406 1.00 0.00 H new ATOM 437 N GLY A 58 -9.801 13.369 1.137 1.00 0.00 N ATOM 438 CA GLY A 58 -9.886 14.768 0.759 1.00 0.00 C ATOM 439 C GLY A 58 -9.641 14.984 -0.721 1.00 0.00 C ATOM 440 O GLY A 58 -10.445 15.620 -1.403 1.00 0.00 O ATOM 0 H GLY A 58 -10.080 12.711 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.872 15.153 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.157 15.341 1.332 1.00 0.00 H new ATOM 444 N ILE A 59 -8.528 14.457 -1.218 1.00 0.00 N ATOM 445 CA ILE A 59 -8.179 14.597 -2.627 1.00 0.00 C ATOM 446 C ILE A 59 -8.884 13.543 -3.475 1.00 0.00 C ATOM 447 O ILE A 59 -8.345 13.076 -4.477 1.00 0.00 O ATOM 448 CB ILE A 59 -6.659 14.483 -2.845 1.00 0.00 C ATOM 449 CG1 ILE A 59 -6.153 13.122 -2.362 1.00 0.00 C ATOM 450 CG2 ILE A 59 -5.935 15.610 -2.124 1.00 0.00 C ATOM 451 CD1 ILE A 59 -6.146 12.062 -3.441 1.00 0.00 C ATOM 0 H ILE A 59 -7.852 13.929 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.508 15.589 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.452 14.568 -3.912 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.142 13.237 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.778 12.784 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.861 15.516 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.278 16.569 -2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.146 15.553 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.776 11.124 -3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.159 11.918 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.498 12.379 -4.258 1.00 0.00 H new ATOM 463 N GLY A 60 -10.093 13.173 -3.065 1.00 0.00 N ATOM 464 CA GLY A 60 -10.853 12.177 -3.799 1.00 0.00 C ATOM 465 C GLY A 60 -11.132 10.937 -2.974 1.00 0.00 C ATOM 466 O GLY A 60 -10.918 10.927 -1.761 1.00 0.00 O ATOM 0 H GLY A 60 -10.560 13.545 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.797 12.613 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.304 11.896 -4.698 1.00 0.00 H new ATOM 470 N LYS A 61 -11.612 9.887 -3.631 1.00 0.00 N ATOM 471 CA LYS A 61 -11.921 8.634 -2.952 1.00 0.00 C ATOM 472 C LYS A 61 -11.078 7.491 -3.508 1.00 0.00 C ATOM 473 O LYS A 61 -11.571 6.380 -3.698 1.00 0.00 O ATOM 474 CB LYS A 61 -13.408 8.303 -3.101 1.00 0.00 C ATOM 475 CG LYS A 61 -13.936 7.377 -2.019 1.00 0.00 C ATOM 476 CD LYS A 61 -14.010 8.076 -0.673 1.00 0.00 C ATOM 477 CE LYS A 61 -14.976 7.374 0.268 1.00 0.00 C ATOM 478 NZ LYS A 61 -16.374 7.411 -0.243 1.00 0.00 N ATOM 0 H LYS A 61 -11.796 9.879 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.685 8.755 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.981 9.230 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.573 7.842 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.927 7.018 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.290 6.502 -1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.018 8.105 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.326 9.109 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.665 6.338 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.935 7.847 1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.037 7.309 0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.545 8.318 -0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.518 6.632 -0.917 1.00 0.00 H new ATOM 492 N GLN A 62 -9.804 7.772 -3.764 1.00 0.00 N ATOM 493 CA GLN A 62 -8.893 6.766 -4.297 1.00 0.00 C ATOM 494 C GLN A 62 -8.097 6.105 -3.177 1.00 0.00 C ATOM 495 O GLN A 62 -6.986 6.528 -2.858 1.00 0.00 O ATOM 496 CB GLN A 62 -7.939 7.398 -5.313 1.00 0.00 C ATOM 497 CG GLN A 62 -8.642 7.965 -6.536 1.00 0.00 C ATOM 498 CD GLN A 62 -9.041 9.417 -6.359 1.00 0.00 C ATOM 499 OE1 GLN A 62 -10.199 9.724 -6.075 1.00 0.00 O ATOM 500 NE2 GLN A 62 -8.081 10.319 -6.525 1.00 0.00 N ATOM 0 H GLN A 62 -9.380 8.687 -3.611 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.488 6.001 -4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.377 8.195 -4.825 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.216 6.649 -5.635 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.986 7.875 -7.402 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.531 7.371 -6.747 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.135 10.019 -6.760 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.290 11.312 -6.418 1.00 0.00 H new ATOM 509 N GLY A 63 -8.673 5.065 -2.581 1.00 0.00 N ATOM 510 CA GLY A 63 -8.003 4.363 -1.503 1.00 0.00 C ATOM 511 C GLY A 63 -8.267 2.871 -1.530 1.00 0.00 C ATOM 512 O GLY A 63 -9.390 2.427 -1.286 1.00 0.00 O ATOM 0 H GLY A 63 -9.592 4.697 -2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.930 4.540 -1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.334 4.770 -0.548 1.00 0.00 H new ATOM 516 N LEU A 64 -7.232 2.094 -1.828 1.00 0.00 N ATOM 517 CA LEU A 64 -7.357 0.641 -1.888 1.00 0.00 C ATOM 518 C LEU A 64 -6.522 -0.023 -0.798 1.00 0.00 C ATOM 519 O LEU A 64 -5.293 0.031 -0.826 1.00 0.00 O ATOM 520 CB LEU A 64 -6.924 0.128 -3.263 1.00 0.00 C ATOM 521 CG LEU A 64 -7.627 0.757 -4.466 1.00 0.00 C ATOM 522 CD1 LEU A 64 -6.973 0.305 -5.763 1.00 0.00 C ATOM 523 CD2 LEU A 64 -9.107 0.406 -4.462 1.00 0.00 C ATOM 0 H LEU A 64 -6.296 2.445 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.404 0.384 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.851 0.291 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.087 -0.949 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.531 1.840 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.487 0.763 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.926 0.608 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.037 -0.780 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.591 0.862 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.224 -0.677 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.567 0.781 -3.548 1.00 0.00 H new ATOM 535 N GLN A 65 -7.199 -0.651 0.158 1.00 0.00 N ATOM 536 CA GLN A 65 -6.518 -1.327 1.256 1.00 0.00 C ATOM 537 C GLN A 65 -6.361 -2.816 0.965 1.00 0.00 C ATOM 538 O GLN A 65 -7.298 -3.473 0.511 1.00 0.00 O ATOM 539 CB GLN A 65 -7.291 -1.129 2.562 1.00 0.00 C ATOM 540 CG GLN A 65 -6.685 -1.867 3.745 1.00 0.00 C ATOM 541 CD GLN A 65 -5.506 -1.130 4.350 1.00 0.00 C ATOM 542 OE1 GLN A 65 -4.390 -1.190 3.833 1.00 0.00 O ATOM 543 NE2 GLN A 65 -5.748 -0.430 5.452 1.00 0.00 N ATOM 0 H GLN A 65 -8.217 -0.706 0.194 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.525 -0.889 1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.334 -0.064 2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.318 -1.466 2.421 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.449 -2.011 4.509 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.364 -2.858 3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.689 -0.408 5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.993 0.086 5.904 1.00 0.00 H new ATOM 552 N CYS A 66 -5.170 -3.342 1.228 1.00 0.00 N ATOM 553 CA CYS A 66 -4.888 -4.753 0.994 1.00 0.00 C ATOM 554 C CYS A 66 -5.443 -5.614 2.125 1.00 0.00 C ATOM 555 O CYS A 66 -5.258 -5.304 3.302 1.00 0.00 O ATOM 556 CB CYS A 66 -3.381 -4.979 0.859 1.00 0.00 C ATOM 557 SG CYS A 66 -2.903 -6.729 0.691 1.00 0.00 S ATOM 0 H CYS A 66 -4.384 -2.812 1.604 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.377 -5.045 0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.019 -4.430 -0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.882 -4.559 1.732 1.00 0.00 H new ATOM 562 N GLN A 67 -6.124 -6.695 1.760 1.00 0.00 N ATOM 563 CA GLN A 67 -6.706 -7.600 2.744 1.00 0.00 C ATOM 564 C GLN A 67 -5.687 -8.641 3.196 1.00 0.00 C ATOM 565 O GLN A 67 -6.050 -9.750 3.588 1.00 0.00 O ATOM 566 CB GLN A 67 -7.939 -8.295 2.163 1.00 0.00 C ATOM 567 CG GLN A 67 -8.968 -7.332 1.594 1.00 0.00 C ATOM 568 CD GLN A 67 -9.619 -6.475 2.662 1.00 0.00 C ATOM 569 OE1 GLN A 67 -9.066 -6.288 3.746 1.00 0.00 O ATOM 570 NE2 GLN A 67 -10.800 -5.948 2.360 1.00 0.00 N ATOM 0 H GLN A 67 -6.286 -6.966 0.790 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.005 -7.010 3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.623 -8.981 1.378 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.408 -8.896 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.488 -6.687 0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.737 -7.897 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.222 -6.129 1.449 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.286 -5.362 3.039 1.00 0.00 H new ATOM 579 N VAL A 68 -4.410 -8.276 3.139 1.00 0.00 N ATOM 580 CA VAL A 68 -3.339 -9.177 3.544 1.00 0.00 C ATOM 581 C VAL A 68 -2.386 -8.496 4.520 1.00 0.00 C ATOM 582 O VAL A 68 -2.212 -8.947 5.652 1.00 0.00 O ATOM 583 CB VAL A 68 -2.538 -9.678 2.327 1.00 0.00 C ATOM 584 CG1 VAL A 68 -1.534 -10.741 2.749 1.00 0.00 C ATOM 585 CG2 VAL A 68 -3.476 -10.215 1.257 1.00 0.00 C ATOM 0 H VAL A 68 -4.093 -7.362 2.816 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.810 -10.028 4.036 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.986 -8.837 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.978 -11.083 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.842 -10.319 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.062 -11.584 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.893 -10.565 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.056 -11.043 1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.151 -9.423 0.934 1.00 0.00 H new ATOM 595 N CYS A 69 -1.771 -7.406 4.074 1.00 0.00 N ATOM 596 CA CYS A 69 -0.835 -6.660 4.907 1.00 0.00 C ATOM 597 C CYS A 69 -1.398 -5.288 5.263 1.00 0.00 C ATOM 598 O CYS A 69 -0.651 -4.361 5.577 1.00 0.00 O ATOM 599 CB CYS A 69 0.507 -6.503 4.188 1.00 0.00 C ATOM 600 SG CYS A 69 0.379 -5.762 2.529 1.00 0.00 S ATOM 0 H CYS A 69 -1.904 -7.019 3.140 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.682 -7.220 5.829 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.165 -5.886 4.800 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.978 -7.482 4.102 1.00 0.00 H new ATOM 605 N SER A 70 -2.720 -5.165 5.211 1.00 0.00 N ATOM 606 CA SER A 70 -3.384 -3.905 5.524 1.00 0.00 C ATOM 607 C SER A 70 -2.613 -2.725 4.941 1.00 0.00 C ATOM 608 O SER A 70 -2.508 -1.668 5.564 1.00 0.00 O ATOM 609 CB SER A 70 -3.523 -3.740 7.039 1.00 0.00 C ATOM 610 OG SER A 70 -4.652 -2.948 7.364 1.00 0.00 O ATOM 0 H SER A 70 -3.353 -5.923 4.955 1.00 0.00 H new ATOM 0 HA SER A 70 -4.377 -3.925 5.075 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.615 -4.720 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.622 -3.277 7.442 1.00 0.00 H new ATOM 0 HG SER A 70 -4.720 -2.859 8.338 1.00 0.00 H new ATOM 616 N PHE A 71 -2.074 -2.914 3.741 1.00 0.00 N ATOM 617 CA PHE A 71 -1.310 -1.866 3.073 1.00 0.00 C ATOM 618 C PHE A 71 -2.190 -1.092 2.095 1.00 0.00 C ATOM 619 O PHE A 71 -2.417 -1.529 0.967 1.00 0.00 O ATOM 620 CB PHE A 71 -0.115 -2.470 2.333 1.00 0.00 C ATOM 621 CG PHE A 71 0.926 -1.458 1.949 1.00 0.00 C ATOM 622 CD1 PHE A 71 1.803 -0.954 2.896 1.00 0.00 C ATOM 623 CD2 PHE A 71 1.028 -1.011 0.642 1.00 0.00 C ATOM 624 CE1 PHE A 71 2.762 -0.022 2.545 1.00 0.00 C ATOM 625 CE2 PHE A 71 1.985 -0.079 0.285 1.00 0.00 C ATOM 626 CZ PHE A 71 2.854 0.415 1.238 1.00 0.00 C ATOM 0 H PHE A 71 -2.152 -3.782 3.211 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.946 -1.175 3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.345 -3.232 2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.471 -2.972 1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.737 -1.293 3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.352 -1.395 -0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.439 0.364 3.293 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.053 0.262 -0.737 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.604 1.141 0.962 1.00 0.00 H new ATOM 636 N VAL A 72 -2.683 0.061 2.537 1.00 0.00 N ATOM 637 CA VAL A 72 -3.537 0.897 1.702 1.00 0.00 C ATOM 638 C VAL A 72 -2.730 1.994 1.017 1.00 0.00 C ATOM 639 O VAL A 72 -1.984 2.728 1.665 1.00 0.00 O ATOM 640 CB VAL A 72 -4.667 1.543 2.525 1.00 0.00 C ATOM 641 CG1 VAL A 72 -4.091 2.385 3.654 1.00 0.00 C ATOM 642 CG2 VAL A 72 -5.566 2.382 1.629 1.00 0.00 C ATOM 0 H VAL A 72 -2.505 0.437 3.468 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.976 0.246 0.945 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.271 0.750 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.904 2.834 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.493 1.753 4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.463 3.172 3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.359 2.831 2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.977 3.169 1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.007 1.748 0.860 1.00 0.00 H new ATOM 652 N VAL A 73 -2.886 2.102 -0.299 1.00 0.00 N ATOM 653 CA VAL A 73 -2.174 3.111 -1.073 1.00 0.00 C ATOM 654 C VAL A 73 -3.068 3.706 -2.155 1.00 0.00 C ATOM 655 O VAL A 73 -3.891 3.008 -2.750 1.00 0.00 O ATOM 656 CB VAL A 73 -0.911 2.526 -1.732 1.00 0.00 C ATOM 657 CG1 VAL A 73 0.056 2.016 -0.674 1.00 0.00 C ATOM 658 CG2 VAL A 73 -1.283 1.416 -2.704 1.00 0.00 C ATOM 0 H VAL A 73 -3.500 1.503 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.881 3.895 -0.375 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.415 3.318 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.942 1.606 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.347 2.838 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.428 1.237 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.379 1.014 -3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.803 0.622 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.935 1.816 -3.481 1.00 0.00 H new ATOM 668 N HIS A 74 -2.902 5.001 -2.407 1.00 0.00 N ATOM 669 CA HIS A 74 -3.694 5.691 -3.419 1.00 0.00 C ATOM 670 C HIS A 74 -3.878 4.815 -4.655 1.00 0.00 C ATOM 671 O HIS A 74 -3.133 3.858 -4.866 1.00 0.00 O ATOM 672 CB HIS A 74 -3.025 7.009 -3.809 1.00 0.00 C ATOM 673 CG HIS A 74 -2.929 7.989 -2.680 1.00 0.00 C ATOM 674 ND1 HIS A 74 -1.767 8.209 -1.971 1.00 0.00 N ATOM 675 CD2 HIS A 74 -3.859 8.811 -2.140 1.00 0.00 C ATOM 676 CE1 HIS A 74 -1.987 9.122 -1.042 1.00 0.00 C ATOM 677 NE2 HIS A 74 -3.249 9.504 -1.124 1.00 0.00 N ATOM 0 H HIS A 74 -2.226 5.593 -1.924 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.676 5.902 -2.995 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.023 6.801 -4.185 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.585 7.463 -4.627 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.889 8.904 -2.451 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.259 9.493 -0.336 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.697 10.201 -0.529 1.00 0.00 H new ATOM 685 N ARG A 75 -4.875 5.149 -5.468 1.00 0.00 N ATOM 686 CA ARG A 75 -5.158 4.392 -6.681 1.00 0.00 C ATOM 687 C ARG A 75 -3.916 4.295 -7.563 1.00 0.00 C ATOM 688 O ARG A 75 -3.573 3.219 -8.052 1.00 0.00 O ATOM 689 CB ARG A 75 -6.301 5.045 -7.461 1.00 0.00 C ATOM 690 CG ARG A 75 -7.679 4.563 -7.039 1.00 0.00 C ATOM 691 CD ARG A 75 -8.070 3.287 -7.768 1.00 0.00 C ATOM 692 NE ARG A 75 -9.419 2.849 -7.418 1.00 0.00 N ATOM 693 CZ ARG A 75 -10.515 3.295 -8.020 1.00 0.00 C ATOM 694 NH1 ARG A 75 -10.423 4.188 -8.996 1.00 0.00 N ATOM 695 NH2 ARG A 75 -11.708 2.849 -7.646 1.00 0.00 N ATOM 0 H ARG A 75 -5.500 5.939 -5.308 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.456 3.385 -6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.248 6.126 -7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.165 4.845 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.690 4.387 -5.963 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.416 5.340 -7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.010 3.451 -8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.358 2.498 -7.525 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.525 2.163 -6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.508 4.534 -9.286 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.267 4.529 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.784 2.163 -6.895 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.549 3.193 -8.109 1.00 0.00 H new ATOM 709 N ARG A 76 -3.248 5.426 -7.762 1.00 0.00 N ATOM 710 CA ARG A 76 -2.046 5.469 -8.586 1.00 0.00 C ATOM 711 C ARG A 76 -0.880 4.779 -7.883 1.00 0.00 C ATOM 712 O ARG A 76 -0.077 4.094 -8.517 1.00 0.00 O ATOM 713 CB ARG A 76 -1.676 6.917 -8.910 1.00 0.00 C ATOM 714 CG ARG A 76 -1.439 7.776 -7.678 1.00 0.00 C ATOM 715 CD ARG A 76 -0.723 9.070 -8.030 1.00 0.00 C ATOM 716 NE ARG A 76 -0.913 10.096 -7.009 1.00 0.00 N ATOM 717 CZ ARG A 76 -0.072 11.106 -6.816 1.00 0.00 C ATOM 718 NH1 ARG A 76 1.011 11.225 -7.571 1.00 0.00 N ATOM 719 NH2 ARG A 76 -0.314 12.001 -5.866 1.00 0.00 N ATOM 0 H ARG A 76 -3.519 6.325 -7.364 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.253 4.938 -9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.777 6.924 -9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.473 7.362 -9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.393 8.005 -7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.848 7.218 -6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.342 8.873 -8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.091 9.439 -8.987 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.737 10.034 -6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.200 10.540 -8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.655 12.002 -7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.147 11.914 -5.283 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.333 12.776 -5.719 1.00 0.00 H new ATOM 733 N CYS A 77 -0.794 4.966 -6.571 1.00 0.00 N ATOM 734 CA CYS A 77 0.274 4.363 -5.781 1.00 0.00 C ATOM 735 C CYS A 77 0.237 2.842 -5.888 1.00 0.00 C ATOM 736 O CYS A 77 1.276 2.181 -5.856 1.00 0.00 O ATOM 737 CB CYS A 77 0.153 4.785 -4.315 1.00 0.00 C ATOM 738 SG CYS A 77 0.670 6.502 -3.990 1.00 0.00 S ATOM 0 H CYS A 77 -1.451 5.530 -6.032 1.00 0.00 H new ATOM 0 HA CYS A 77 1.227 4.715 -6.176 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.882 4.662 -3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.756 4.113 -3.704 1.00 0.00 H new ATOM 743 N HIS A 78 -0.966 2.292 -6.017 1.00 0.00 N ATOM 744 CA HIS A 78 -1.139 0.848 -6.131 1.00 0.00 C ATOM 745 C HIS A 78 -0.143 0.258 -7.125 1.00 0.00 C ATOM 746 O HIS A 78 0.725 -0.531 -6.754 1.00 0.00 O ATOM 747 CB HIS A 78 -2.567 0.516 -6.563 1.00 0.00 C ATOM 748 CG HIS A 78 -2.681 -0.776 -7.312 1.00 0.00 C ATOM 749 ND1 HIS A 78 -1.858 -1.857 -7.078 1.00 0.00 N ATOM 750 CD2 HIS A 78 -3.531 -1.158 -8.294 1.00 0.00 C ATOM 751 CE1 HIS A 78 -2.194 -2.847 -7.886 1.00 0.00 C ATOM 752 NE2 HIS A 78 -3.207 -2.448 -8.634 1.00 0.00 N ATOM 0 H HIS A 78 -1.836 2.824 -6.045 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.953 0.407 -5.152 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.204 0.472 -5.680 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.946 1.324 -7.189 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -1.107 -1.888 -6.389 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.318 -0.559 -8.729 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.721 -3.817 -7.928 1.00 0.00 H new ATOM 760 N GLU A 79 -0.277 0.647 -8.390 1.00 0.00 N ATOM 761 CA GLU A 79 0.610 0.155 -9.437 1.00 0.00 C ATOM 762 C GLU A 79 2.066 0.476 -9.112 1.00 0.00 C ATOM 763 O GLU A 79 2.951 -0.363 -9.281 1.00 0.00 O ATOM 764 CB GLU A 79 0.230 0.766 -10.787 1.00 0.00 C ATOM 765 CG GLU A 79 0.285 2.285 -10.804 1.00 0.00 C ATOM 766 CD GLU A 79 0.115 2.859 -12.197 1.00 0.00 C ATOM 767 OE1 GLU A 79 0.787 2.368 -13.128 1.00 0.00 O ATOM 768 OE2 GLU A 79 -0.690 3.801 -12.356 1.00 0.00 O ATOM 0 H GLU A 79 -0.990 1.300 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 79 0.499 -0.928 -9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.900 0.378 -11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.777 0.444 -11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.496 2.680 -10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.239 2.615 -10.393 1.00 0.00 H new ATOM 775 N PHE A 80 2.307 1.697 -8.646 1.00 0.00 N ATOM 776 CA PHE A 80 3.655 2.131 -8.299 1.00 0.00 C ATOM 777 C PHE A 80 4.287 1.183 -7.283 1.00 0.00 C ATOM 778 O PHE A 80 5.476 0.876 -7.360 1.00 0.00 O ATOM 779 CB PHE A 80 3.627 3.554 -7.737 1.00 0.00 C ATOM 780 CG PHE A 80 3.536 4.615 -8.797 1.00 0.00 C ATOM 781 CD1 PHE A 80 4.424 4.629 -9.860 1.00 0.00 C ATOM 782 CD2 PHE A 80 2.562 5.598 -8.728 1.00 0.00 C ATOM 783 CE1 PHE A 80 4.342 5.604 -10.836 1.00 0.00 C ATOM 784 CE2 PHE A 80 2.475 6.575 -9.702 1.00 0.00 C ATOM 785 CZ PHE A 80 3.367 6.578 -10.757 1.00 0.00 C ATOM 0 H PHE A 80 1.586 2.404 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 80 4.259 2.118 -9.206 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.777 3.653 -7.061 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.527 3.720 -7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.189 3.870 -9.927 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.863 5.601 -7.904 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.040 5.604 -11.660 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.711 7.335 -9.638 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.302 7.341 -11.519 1.00 0.00 H new ATOM 795 N VAL A 81 3.481 0.724 -6.331 1.00 0.00 N ATOM 796 CA VAL A 81 3.960 -0.189 -5.300 1.00 0.00 C ATOM 797 C VAL A 81 4.932 -1.211 -5.878 1.00 0.00 C ATOM 798 O VAL A 81 4.681 -1.798 -6.932 1.00 0.00 O ATOM 799 CB VAL A 81 2.793 -0.933 -4.623 1.00 0.00 C ATOM 800 CG1 VAL A 81 3.313 -1.894 -3.565 1.00 0.00 C ATOM 801 CG2 VAL A 81 1.810 0.058 -4.018 1.00 0.00 C ATOM 0 H VAL A 81 2.494 0.969 -6.252 1.00 0.00 H new ATOM 0 HA VAL A 81 4.476 0.418 -4.556 1.00 0.00 H new ATOM 0 HB VAL A 81 2.268 -1.515 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.474 -2.410 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.975 -2.625 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.864 -1.337 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.992 -0.484 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.321 0.668 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.412 0.701 -4.803 1.00 0.00 H new ATOM 811 N THR A 82 6.045 -1.421 -5.182 1.00 0.00 N ATOM 812 CA THR A 82 7.056 -2.372 -5.626 1.00 0.00 C ATOM 813 C THR A 82 7.263 -3.476 -4.596 1.00 0.00 C ATOM 814 O THR A 82 7.625 -4.601 -4.942 1.00 0.00 O ATOM 815 CB THR A 82 8.404 -1.675 -5.892 1.00 0.00 C ATOM 816 OG1 THR A 82 9.387 -2.641 -6.281 1.00 0.00 O ATOM 817 CG2 THR A 82 8.881 -0.929 -4.655 1.00 0.00 C ATOM 0 H THR A 82 6.269 -0.945 -4.308 1.00 0.00 H new ATOM 0 HA THR A 82 6.691 -2.810 -6.555 1.00 0.00 H new ATOM 0 HB THR A 82 8.263 -0.956 -6.699 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.240 -2.190 -6.450 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.834 -0.445 -4.867 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.145 -0.174 -4.379 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.006 -1.632 -3.832 1.00 0.00 H new ATOM 825 N PHE A 83 7.029 -3.149 -3.330 1.00 0.00 N ATOM 826 CA PHE A 83 7.190 -4.114 -2.249 1.00 0.00 C ATOM 827 C PHE A 83 6.394 -5.385 -2.531 1.00 0.00 C ATOM 828 O PHE A 83 5.354 -5.345 -3.186 1.00 0.00 O ATOM 829 CB PHE A 83 6.741 -3.503 -0.920 1.00 0.00 C ATOM 830 CG PHE A 83 6.468 -4.524 0.148 1.00 0.00 C ATOM 831 CD1 PHE A 83 7.503 -5.263 0.699 1.00 0.00 C ATOM 832 CD2 PHE A 83 5.177 -4.744 0.600 1.00 0.00 C ATOM 833 CE1 PHE A 83 7.255 -6.203 1.681 1.00 0.00 C ATOM 834 CE2 PHE A 83 4.924 -5.682 1.583 1.00 0.00 C ATOM 835 CZ PHE A 83 5.964 -6.413 2.123 1.00 0.00 C ATOM 0 H PHE A 83 6.727 -2.223 -3.027 1.00 0.00 H new ATOM 0 HA PHE A 83 8.246 -4.375 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.510 -2.816 -0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.840 -2.913 -1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.515 -5.102 0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.360 -4.177 0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.070 -6.773 2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.914 -5.843 1.929 1.00 0.00 H new ATOM 0 HZ PHE A 83 5.768 -7.148 2.890 1.00 0.00 H new ATOM 845 N GLU A 84 6.894 -6.512 -2.033 1.00 0.00 N ATOM 846 CA GLU A 84 6.230 -7.795 -2.233 1.00 0.00 C ATOM 847 C GLU A 84 5.393 -8.171 -1.014 1.00 0.00 C ATOM 848 O GLU A 84 5.924 -8.385 0.076 1.00 0.00 O ATOM 849 CB GLU A 84 7.262 -8.889 -2.514 1.00 0.00 C ATOM 850 CG GLU A 84 7.609 -9.035 -3.986 1.00 0.00 C ATOM 851 CD GLU A 84 8.145 -7.751 -4.589 1.00 0.00 C ATOM 852 OE1 GLU A 84 9.213 -7.285 -4.140 1.00 0.00 O ATOM 853 OE2 GLU A 84 7.496 -7.213 -5.510 1.00 0.00 O ATOM 0 H GLU A 84 7.755 -6.562 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 84 5.566 -7.702 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.172 -8.671 -1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.881 -9.840 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.351 -9.825 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.721 -9.347 -4.536 1.00 0.00 H new ATOM 860 N CYS A 85 4.080 -8.248 -1.206 1.00 0.00 N ATOM 861 CA CYS A 85 3.168 -8.596 -0.124 1.00 0.00 C ATOM 862 C CYS A 85 3.687 -9.798 0.660 1.00 0.00 C ATOM 863 O CYS A 85 4.115 -10.803 0.093 1.00 0.00 O ATOM 864 CB CYS A 85 1.775 -8.900 -0.681 1.00 0.00 C ATOM 865 SG CYS A 85 0.446 -8.832 0.563 1.00 0.00 S ATOM 0 H CYS A 85 3.624 -8.074 -2.102 1.00 0.00 H new ATOM 0 HA CYS A 85 3.104 -7.743 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.550 -8.189 -1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.785 -9.892 -1.133 1.00 0.00 H new ATOM 870 N PRO A 86 3.650 -9.693 1.997 1.00 0.00 N ATOM 871 CA PRO A 86 4.112 -10.761 2.888 1.00 0.00 C ATOM 872 C PRO A 86 3.193 -11.977 2.860 1.00 0.00 C ATOM 873 O PRO A 86 3.634 -13.105 3.079 1.00 0.00 O ATOM 874 CB PRO A 86 4.089 -10.104 4.270 1.00 0.00 C ATOM 875 CG PRO A 86 3.073 -9.020 4.158 1.00 0.00 C ATOM 876 CD PRO A 86 3.153 -8.523 2.741 1.00 0.00 C ATOM 0 HA PRO A 86 5.092 -11.139 2.597 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.819 -10.821 5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.068 -9.703 4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.075 -9.396 4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.279 -8.217 4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.180 -8.197 2.374 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.829 -7.673 2.651 1.00 0.00 H new ATOM 884 N GLY A 87 1.913 -11.740 2.589 1.00 0.00 N ATOM 885 CA GLY A 87 0.953 -12.827 2.537 1.00 0.00 C ATOM 886 C GLY A 87 0.600 -13.222 1.117 1.00 0.00 C ATOM 887 O GLY A 87 0.610 -14.404 0.773 1.00 0.00 O ATOM 0 H GLY A 87 1.524 -10.815 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.360 -13.692 3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.046 -12.532 3.065 1.00 0.00 H new ATOM 891 N ALA A 88 0.287 -12.231 0.289 1.00 0.00 N ATOM 892 CA ALA A 88 -0.070 -12.481 -1.102 1.00 0.00 C ATOM 893 C ALA A 88 1.150 -12.902 -1.915 1.00 0.00 C ATOM 894 O ALA A 88 2.038 -12.095 -2.184 1.00 0.00 O ATOM 895 CB ALA A 88 -0.711 -11.244 -1.713 1.00 0.00 C ATOM 0 H ALA A 88 0.273 -11.247 0.557 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.790 -13.299 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.972 -11.445 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.612 -10.988 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.009 -10.412 -1.670 1.00 0.00 H new ATOM 901 N GLY A 89 1.187 -14.174 -2.302 1.00 0.00 N ATOM 902 CA GLY A 89 2.303 -14.681 -3.079 1.00 0.00 C ATOM 903 C GLY A 89 3.284 -15.471 -2.237 1.00 0.00 C ATOM 904 O GLY A 89 3.096 -16.667 -2.008 1.00 0.00 O ATOM 0 H GLY A 89 0.464 -14.862 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.925 -15.315 -3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.823 -13.847 -3.550 1.00 0.00 H new ATOM 908 N LYS A 90 4.336 -14.805 -1.775 1.00 0.00 N ATOM 909 CA LYS A 90 5.352 -15.452 -0.953 1.00 0.00 C ATOM 910 C LYS A 90 4.922 -15.496 0.510 1.00 0.00 C ATOM 911 O LYS A 90 4.103 -14.691 0.951 1.00 0.00 O ATOM 912 CB LYS A 90 6.687 -14.714 -1.081 1.00 0.00 C ATOM 913 CG LYS A 90 7.898 -15.603 -0.857 1.00 0.00 C ATOM 914 CD LYS A 90 9.077 -14.813 -0.315 1.00 0.00 C ATOM 915 CE LYS A 90 8.901 -14.491 1.161 1.00 0.00 C ATOM 916 NZ LYS A 90 9.163 -15.677 2.023 1.00 0.00 N ATOM 0 H LYS A 90 4.508 -13.816 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 90 5.473 -16.475 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.753 -14.269 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.710 -13.895 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.641 -16.400 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.179 -16.080 -1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.995 -15.384 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.187 -13.887 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.578 -13.683 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.887 -14.132 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.548 -15.640 2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.965 -16.546 1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.159 -15.674 2.324 1.00 0.00 H new ATOM 930 N GLY A 91 5.481 -16.443 1.258 1.00 0.00 N ATOM 931 CA GLY A 91 5.143 -16.574 2.663 1.00 0.00 C ATOM 932 C GLY A 91 5.976 -15.665 3.546 1.00 0.00 C ATOM 933 O GLY A 91 6.599 -14.712 3.080 1.00 0.00 O ATOM 0 H GLY A 91 6.162 -17.121 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.087 -16.343 2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.287 -17.609 2.973 1.00 0.00 H new ATOM 937 N PRO A 92 5.991 -15.958 4.855 1.00 0.00 N ATOM 938 CA PRO A 92 6.748 -15.171 5.833 1.00 0.00 C ATOM 939 C PRO A 92 8.255 -15.347 5.676 1.00 0.00 C ATOM 940 O PRO A 92 8.790 -16.430 5.911 1.00 0.00 O ATOM 941 CB PRO A 92 6.282 -15.734 7.178 1.00 0.00 C ATOM 942 CG PRO A 92 5.835 -17.122 6.874 1.00 0.00 C ATOM 943 CD PRO A 92 5.271 -17.080 5.481 1.00 0.00 C ATOM 0 HA PRO A 92 6.573 -14.101 5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 92 7.090 -15.730 7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 92 5.470 -15.139 7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.668 -17.823 6.937 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.083 -17.455 7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.444 -18.015 4.949 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.194 -16.912 5.488 1.00 0.00 H new ATOM 951 N GLN A 93 8.932 -14.274 5.279 1.00 0.00 N ATOM 952 CA GLN A 93 10.378 -14.311 5.091 1.00 0.00 C ATOM 953 C GLN A 93 11.088 -14.661 6.395 1.00 0.00 C ATOM 954 O GLN A 93 10.462 -14.744 7.453 1.00 0.00 O ATOM 955 CB GLN A 93 10.880 -12.963 4.570 1.00 0.00 C ATOM 956 CG GLN A 93 10.624 -11.808 5.524 1.00 0.00 C ATOM 957 CD GLN A 93 11.120 -10.482 4.981 1.00 0.00 C ATOM 958 OE1 GLN A 93 12.179 -9.994 5.377 1.00 0.00 O ATOM 959 NE2 GLN A 93 10.357 -9.892 4.070 1.00 0.00 N ATOM 0 H GLN A 93 8.503 -13.370 5.082 1.00 0.00 H new ATOM 0 HA GLN A 93 10.604 -15.084 4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.950 -13.033 4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.398 -12.749 3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.555 -11.737 5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.114 -12.013 6.476 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.487 -10.332 3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.640 -8.998 3.669 1.00 0.00 H new ATOM 968 N THR A 94 12.399 -14.866 6.313 1.00 0.00 N ATOM 969 CA THR A 94 13.194 -15.209 7.485 1.00 0.00 C ATOM 970 C THR A 94 12.837 -14.319 8.671 1.00 0.00 C ATOM 971 O THR A 94 12.631 -14.804 9.783 1.00 0.00 O ATOM 972 CB THR A 94 14.702 -15.083 7.198 1.00 0.00 C ATOM 973 OG1 THR A 94 15.019 -13.735 6.832 1.00 0.00 O ATOM 974 CG2 THR A 94 15.121 -16.029 6.084 1.00 0.00 C ATOM 0 H THR A 94 12.933 -14.800 5.446 1.00 0.00 H new ATOM 0 HA THR A 94 12.964 -16.246 7.730 1.00 0.00 H new ATOM 0 HB THR A 94 15.246 -15.351 8.104 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.980 -13.662 6.653 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.190 -15.922 5.899 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.904 -17.056 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.570 -15.788 5.175 1.00 0.00 H new ATOM 982 N ASP A 95 12.766 -13.015 8.425 1.00 0.00 N ATOM 983 CA ASP A 95 12.433 -12.057 9.473 1.00 0.00 C ATOM 984 C ASP A 95 11.074 -12.376 10.088 1.00 0.00 C ATOM 985 O ASP A 95 10.282 -13.124 9.515 1.00 0.00 O ATOM 986 CB ASP A 95 12.431 -10.635 8.911 1.00 0.00 C ATOM 987 CG ASP A 95 13.721 -10.296 8.189 1.00 0.00 C ATOM 988 OD1 ASP A 95 14.761 -10.906 8.515 1.00 0.00 O ATOM 989 OD2 ASP A 95 13.690 -9.421 7.299 1.00 0.00 O ATOM 0 H ASP A 95 12.934 -12.598 7.510 1.00 0.00 H new ATOM 0 HA ASP A 95 13.191 -12.130 10.253 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.593 -10.520 8.224 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.276 -9.926 9.724 1.00 0.00 H new ATOM 994 N ASP A 96 10.811 -11.803 11.257 1.00 0.00 N ATOM 995 CA ASP A 96 9.547 -12.026 11.951 1.00 0.00 C ATOM 996 C ASP A 96 8.946 -10.706 12.423 1.00 0.00 C ATOM 997 O ASP A 96 9.563 -9.947 13.171 1.00 0.00 O ATOM 998 CB ASP A 96 9.753 -12.962 13.143 1.00 0.00 C ATOM 999 CG ASP A 96 10.780 -14.041 12.861 1.00 0.00 C ATOM 1000 OD1 ASP A 96 10.422 -15.045 12.210 1.00 0.00 O ATOM 1001 OD2 ASP A 96 11.942 -13.881 13.291 1.00 0.00 O ATOM 0 H ASP A 96 11.456 -11.181 11.744 1.00 0.00 H new ATOM 0 HA ASP A 96 8.853 -12.490 11.250 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.070 -12.380 14.008 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.803 -13.428 13.404 1.00 0.00 H new ATOM 1006 N PRO A 97 7.714 -10.423 11.975 1.00 0.00 N ATOM 1007 CA PRO A 97 7.003 -9.194 12.338 1.00 0.00 C ATOM 1008 C PRO A 97 6.580 -9.180 13.803 1.00 0.00 C ATOM 1009 O PRO A 97 6.775 -8.187 14.506 1.00 0.00 O ATOM 1010 CB PRO A 97 5.773 -9.213 11.427 1.00 0.00 C ATOM 1011 CG PRO A 97 5.554 -10.653 11.117 1.00 0.00 C ATOM 1012 CD PRO A 97 6.920 -11.281 11.081 1.00 0.00 C ATOM 0 HA PRO A 97 7.629 -8.310 12.214 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.906 -8.779 11.924 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.944 -8.634 10.519 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.928 -11.124 11.874 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.044 -10.773 10.161 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.897 -12.313 11.431 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.329 -11.296 10.071 1.00 0.00 H new ATOM 1020 N ARG A 98 6.002 -10.286 14.258 1.00 0.00 N ATOM 1021 CA ARG A 98 5.551 -10.400 15.640 1.00 0.00 C ATOM 1022 C ARG A 98 6.652 -9.976 16.608 1.00 0.00 C ATOM 1023 O ARG A 98 7.838 -10.067 16.293 1.00 0.00 O ATOM 1024 CB ARG A 98 5.119 -11.837 15.941 1.00 0.00 C ATOM 1025 CG ARG A 98 6.281 -12.807 16.076 1.00 0.00 C ATOM 1026 CD ARG A 98 6.565 -13.523 14.765 1.00 0.00 C ATOM 1027 NE ARG A 98 5.588 -14.574 14.494 1.00 0.00 N ATOM 1028 CZ ARG A 98 5.698 -15.816 14.952 1.00 0.00 C ATOM 1029 NH1 ARG A 98 6.736 -16.160 15.701 1.00 0.00 N ATOM 1030 NH2 ARG A 98 4.768 -16.717 14.662 1.00 0.00 N ATOM 0 H ARG A 98 5.835 -11.117 13.690 1.00 0.00 H new ATOM 0 HA ARG A 98 4.698 -9.735 15.773 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.539 -11.847 16.864 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.459 -12.183 15.146 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.172 -12.267 16.397 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.056 -13.540 16.851 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.557 -12.801 13.948 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.565 -13.957 14.798 1.00 0.00 H new ATOM 0 HE ARG A 98 4.776 -14.342 13.922 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.453 -15.470 15.927 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.818 -17.114 16.051 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.967 -16.456 14.087 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.854 -17.670 15.014 1.00 0.00 H new ATOM 1044 N ASN A 99 6.250 -9.511 17.786 1.00 0.00 N ATOM 1045 CA ASN A 99 7.202 -9.071 18.800 1.00 0.00 C ATOM 1046 C ASN A 99 6.758 -9.512 20.191 1.00 0.00 C ATOM 1047 O ASN A 99 5.730 -10.172 20.347 1.00 0.00 O ATOM 1048 CB ASN A 99 7.355 -7.549 18.759 1.00 0.00 C ATOM 1049 CG ASN A 99 8.167 -7.081 17.566 1.00 0.00 C ATOM 1050 OD1 ASN A 99 8.865 -7.870 16.929 1.00 0.00 O ATOM 1051 ND2 ASN A 99 8.078 -5.792 17.259 1.00 0.00 N ATOM 0 H ASN A 99 5.272 -9.429 18.062 1.00 0.00 H new ATOM 0 HA ASN A 99 8.165 -9.532 18.583 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.368 -7.088 18.726 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.835 -7.210 19.677 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.601 -5.419 16.467 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.487 -5.175 17.816 1.00 0.00 H new ATOM 1058 N LYS A 100 7.539 -9.142 21.200 1.00 0.00 N ATOM 1059 CA LYS A 100 7.227 -9.496 22.580 1.00 0.00 C ATOM 1060 C LYS A 100 5.725 -9.426 22.833 1.00 0.00 C ATOM 1061 O LYS A 100 5.085 -8.412 22.552 1.00 0.00 O ATOM 1062 CB LYS A 100 7.962 -8.565 23.546 1.00 0.00 C ATOM 1063 CG LYS A 100 7.908 -9.023 24.993 1.00 0.00 C ATOM 1064 CD LYS A 100 8.008 -7.850 25.954 1.00 0.00 C ATOM 1065 CE LYS A 100 7.869 -8.301 27.400 1.00 0.00 C ATOM 1066 NZ LYS A 100 6.442 -8.412 27.811 1.00 0.00 N ATOM 0 H LYS A 100 8.394 -8.597 21.088 1.00 0.00 H new ATOM 0 HA LYS A 100 7.559 -10.520 22.750 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.004 -8.485 23.238 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.531 -7.567 23.474 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.977 -9.561 25.171 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.722 -9.722 25.185 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.966 -7.348 25.819 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.231 -7.121 25.723 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.360 -9.266 27.528 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.381 -7.593 28.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.369 -9.025 28.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.072 -7.467 28.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.887 -8.822 27.032 1.00 0.00 H new ATOM 1080 N HIS A 101 5.168 -10.508 23.367 1.00 0.00 N ATOM 1081 CA HIS A 101 3.740 -10.568 23.660 1.00 0.00 C ATOM 1082 C HIS A 101 3.424 -9.848 24.968 1.00 0.00 C ATOM 1083 O HIS A 101 4.297 -9.668 25.817 1.00 0.00 O ATOM 1084 CB HIS A 101 3.274 -12.022 23.740 1.00 0.00 C ATOM 1085 CG HIS A 101 1.792 -12.185 23.596 1.00 0.00 C ATOM 1086 ND1 HIS A 101 0.969 -12.535 24.645 1.00 0.00 N ATOM 1087 CD2 HIS A 101 0.986 -12.042 22.519 1.00 0.00 C ATOM 1088 CE1 HIS A 101 -0.280 -12.602 24.219 1.00 0.00 C ATOM 1089 NE2 HIS A 101 -0.296 -12.307 22.932 1.00 0.00 N ATOM 0 H HIS A 101 5.683 -11.355 23.606 1.00 0.00 H new ATOM 0 HA HIS A 101 3.207 -10.068 22.851 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.772 -12.598 22.960 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.586 -12.443 24.696 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.294 -11.770 21.520 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -1.141 -12.855 24.821 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -1.127 -12.280 22.340 1.00 0.00 H new ATOM 1097 N LYS A 102 2.169 -9.437 25.123 1.00 0.00 N ATOM 1098 CA LYS A 102 1.736 -8.737 26.326 1.00 0.00 C ATOM 1099 C LYS A 102 1.530 -9.714 27.479 1.00 0.00 C ATOM 1100 O LYS A 102 1.348 -10.912 27.265 1.00 0.00 O ATOM 1101 CB LYS A 102 0.441 -7.969 26.056 1.00 0.00 C ATOM 1102 CG LYS A 102 0.292 -6.712 26.896 1.00 0.00 C ATOM 1103 CD LYS A 102 1.292 -5.644 26.484 1.00 0.00 C ATOM 1104 CE LYS A 102 0.725 -4.739 25.401 1.00 0.00 C ATOM 1105 NZ LYS A 102 0.871 -5.338 24.045 1.00 0.00 N ATOM 0 H LYS A 102 1.434 -9.577 24.430 1.00 0.00 H new ATOM 0 HA LYS A 102 2.517 -8.031 26.607 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.403 -7.697 25.001 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -0.408 -8.626 26.247 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.721 -6.322 26.793 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.434 -6.958 27.948 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.566 -5.046 27.353 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.205 -6.118 26.123 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.329 -4.548 25.602 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.234 -3.776 25.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.951 -4.580 23.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.726 -5.929 24.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.038 -5.923 23.833 1.00 0.00 H new ATOM 1119 N PHE A 103 1.558 -9.193 28.702 1.00 0.00 N ATOM 1120 CA PHE A 103 1.373 -10.020 29.889 1.00 0.00 C ATOM 1121 C PHE A 103 0.046 -9.702 30.572 1.00 0.00 C ATOM 1122 O PHE A 103 -0.792 -10.583 30.766 1.00 0.00 O ATOM 1123 CB PHE A 103 2.528 -9.807 30.869 1.00 0.00 C ATOM 1124 CG PHE A 103 2.829 -8.360 31.136 1.00 0.00 C ATOM 1125 CD1 PHE A 103 3.564 -7.613 30.229 1.00 0.00 C ATOM 1126 CD2 PHE A 103 2.379 -7.747 32.294 1.00 0.00 C ATOM 1127 CE1 PHE A 103 3.842 -6.281 30.471 1.00 0.00 C ATOM 1128 CE2 PHE A 103 2.654 -6.416 32.541 1.00 0.00 C ATOM 1129 CZ PHE A 103 3.388 -5.682 31.629 1.00 0.00 C ATOM 0 H PHE A 103 1.707 -8.203 28.897 1.00 0.00 H new ATOM 0 HA PHE A 103 1.359 -11.064 29.576 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.290 -10.300 31.811 1.00 0.00 H new ATOM 0 HB3 PHE A 103 3.422 -10.289 30.474 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.924 -8.077 29.323 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.807 -8.316 33.012 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.414 -5.709 29.755 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.295 -5.949 33.447 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.606 -4.642 31.822 1.00 0.00 H new ATOM 1139 N ARG A 104 -0.137 -8.436 30.935 1.00 0.00 N ATOM 1140 CA ARG A 104 -1.360 -8.001 31.598 1.00 0.00 C ATOM 1141 C ARG A 104 -2.528 -7.964 30.616 1.00 0.00 C ATOM 1142 O ARG A 104 -2.358 -8.220 29.423 1.00 0.00 O ATOM 1143 CB ARG A 104 -1.162 -6.619 32.224 1.00 0.00 C ATOM 1144 CG ARG A 104 -1.010 -5.504 31.203 1.00 0.00 C ATOM 1145 CD ARG A 104 -1.462 -4.166 31.767 1.00 0.00 C ATOM 1146 NE ARG A 104 -2.914 -4.014 31.718 1.00 0.00 N ATOM 1147 CZ ARG A 104 -3.563 -3.484 30.687 1.00 0.00 C ATOM 1148 NH1 ARG A 104 -2.892 -3.058 29.626 1.00 0.00 N ATOM 1149 NH2 ARG A 104 -4.885 -3.379 30.717 1.00 0.00 N ATOM 0 H ARG A 104 0.546 -7.694 30.781 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.592 -8.719 32.385 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -2.012 -6.396 32.869 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.277 -6.641 32.860 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.032 -5.435 30.891 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.594 -5.741 30.314 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -1.122 -4.074 32.799 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.994 -3.358 31.204 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.459 -4.332 32.519 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.875 -3.137 29.600 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.392 -2.651 28.836 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.404 -3.705 31.532 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.382 -2.972 29.925 1.00 0.00 H new ATOM 1163 N LEU A 105 -3.712 -7.644 31.125 1.00 0.00 N ATOM 1164 CA LEU A 105 -4.909 -7.574 30.293 1.00 0.00 C ATOM 1165 C LEU A 105 -4.696 -6.631 29.113 1.00 0.00 C ATOM 1166 O LEU A 105 -3.618 -6.062 28.946 1.00 0.00 O ATOM 1167 CB LEU A 105 -6.105 -7.108 31.125 1.00 0.00 C ATOM 1168 CG LEU A 105 -7.474 -7.624 30.680 1.00 0.00 C ATOM 1169 CD1 LEU A 105 -7.789 -7.152 29.269 1.00 0.00 C ATOM 1170 CD2 LEU A 105 -7.522 -9.143 30.759 1.00 0.00 C ATOM 0 H LEU A 105 -3.870 -7.429 32.110 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.112 -8.572 29.905 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.943 -7.412 32.159 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.128 -6.018 31.113 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.230 -7.221 31.354 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.767 -7.529 28.969 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.796 -6.062 29.243 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.030 -7.526 28.582 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.503 -9.493 30.439 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.756 -9.566 30.109 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.341 -9.460 31.786 1.00 0.00 H new TER 1182 LEU A 105 HETATM 1183 ZN ZN A 201 0.054 7.391 -2.079 1.00 0.00 ZN HETATM 1184 ZN ZN A 401 -0.524 -6.845 0.851 1.00 0.00 ZN