USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 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 47 MET CE :methyl -164:sc= -0.0409 (180deg=-0.378) USER MOD Set 1.2: A 50 CYS SG : rot 27:sc= -1.09! USER MOD Set 2.1: A 43 LYS NZ :NH3+ 172:sc= 1.46 (180deg=1.21) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0.0735 USER MOD Single : A 3 TYR OH : rot -159:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= 0.59 (180deg=0.0728) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= -0.0148 (180deg=-0.212) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 25 GLN : amide:sc= -2.4! C(o=-2.4!,f=-7.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0346) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0317) USER MOD Single : A 36 SER OG : rot 50:sc= 0.333 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0635 (180deg=-0.306) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.518 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.012 F(o=-1,f=-0.012) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 6:sc= 1.26 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 87:sc= 1.18 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 9.778 12.540 -3.056 1.00 0.00 N ATOM 19 CA ALA A 2 8.699 11.884 -3.738 1.00 0.00 C ATOM 20 C ALA A 2 9.174 10.634 -4.421 1.00 0.00 C ATOM 21 O ALA A 2 10.319 10.554 -4.884 1.00 0.00 O ATOM 22 CB ALA A 2 8.040 12.815 -4.740 1.00 0.00 C ATOM 0 HA ALA A 2 7.957 11.606 -2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.226 12.292 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.645 13.688 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.776 13.135 -5.478 1.00 0.00 H new ATOM 28 N TYR A 3 8.312 9.672 -4.470 1.00 0.00 N ATOM 29 CA TYR A 3 8.574 8.409 -5.112 1.00 0.00 C ATOM 30 C TYR A 3 7.477 8.186 -6.136 1.00 0.00 C ATOM 31 O TYR A 3 6.532 8.982 -6.216 1.00 0.00 O ATOM 32 CB TYR A 3 8.530 7.250 -4.092 1.00 0.00 C ATOM 33 CG TYR A 3 9.638 7.190 -3.039 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.846 8.226 -2.142 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.449 6.065 -2.931 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.824 8.152 -1.172 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.425 5.977 -1.955 1.00 0.00 C ATOM 38 CZ TYR A 3 11.609 7.024 -1.081 1.00 0.00 C ATOM 39 OH TYR A 3 12.574 6.937 -0.095 1.00 0.00 O ATOM 0 H TYR A 3 7.381 9.736 -4.057 1.00 0.00 H new ATOM 0 HA TYR A 3 9.563 8.431 -5.569 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.574 7.297 -3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.544 6.313 -4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.229 9.110 -2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.314 5.246 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.973 8.974 -0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.039 5.092 -1.879 1.00 0.00 H new ATOM 0 HH TYR A 3 13.245 6.271 -0.352 1.00 0.00 H new ATOM 49 N PHE A 4 7.596 7.153 -6.912 1.00 0.00 N ATOM 50 CA PHE A 4 6.542 6.772 -7.822 1.00 0.00 C ATOM 51 C PHE A 4 5.576 5.877 -7.063 1.00 0.00 C ATOM 52 O PHE A 4 5.944 5.315 -6.041 1.00 0.00 O ATOM 53 CB PHE A 4 7.108 6.022 -9.035 1.00 0.00 C ATOM 54 CG PHE A 4 8.058 6.825 -9.872 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.582 7.797 -10.733 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.425 6.610 -9.799 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.448 8.541 -11.506 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.298 7.349 -10.570 1.00 0.00 C ATOM 59 CZ PHE A 4 9.809 8.316 -11.427 1.00 0.00 C ATOM 0 H PHE A 4 8.418 6.549 -6.938 1.00 0.00 H new ATOM 0 HA PHE A 4 6.035 7.663 -8.193 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.620 5.125 -8.686 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.280 5.693 -9.662 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.519 7.975 -10.801 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.811 5.855 -9.131 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.063 9.299 -12.172 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.361 7.172 -10.504 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.489 8.895 -12.034 1.00 0.00 H new ATOM 69 N LEU A 5 4.371 5.745 -7.532 1.00 0.00 N ATOM 70 CA LEU A 5 3.395 4.903 -6.865 1.00 0.00 C ATOM 71 C LEU A 5 2.892 3.905 -7.897 1.00 0.00 C ATOM 72 O LEU A 5 2.470 4.300 -8.989 1.00 0.00 O ATOM 73 CB LEU A 5 2.224 5.781 -6.315 1.00 0.00 C ATOM 74 CG LEU A 5 1.292 5.191 -5.201 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.559 3.934 -5.631 1.00 0.00 C ATOM 76 CD2 LEU A 5 2.058 4.940 -3.915 1.00 0.00 C ATOM 0 H LEU A 5 4.030 6.206 -8.375 1.00 0.00 H new ATOM 0 HA LEU A 5 3.834 4.379 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.658 6.703 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.593 6.056 -7.160 1.00 0.00 H new ATOM 0 HG LEU A 5 0.533 5.952 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.067 3.580 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.066 4.155 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.283 3.163 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.383 4.531 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.863 4.230 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.479 5.878 -3.553 1.00 0.00 H new ATOM 88 N ASP A 6 2.969 2.639 -7.587 1.00 0.00 N ATOM 89 CA ASP A 6 2.530 1.612 -8.500 1.00 0.00 C ATOM 90 C ASP A 6 1.742 0.571 -7.716 1.00 0.00 C ATOM 91 O ASP A 6 1.790 0.540 -6.476 1.00 0.00 O ATOM 92 CB ASP A 6 3.739 0.950 -9.169 1.00 0.00 C ATOM 93 CG ASP A 6 3.440 0.352 -10.541 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.329 -0.161 -10.787 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.310 0.441 -11.430 1.00 0.00 O ATOM 0 H ASP A 6 3.335 2.289 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 6 1.902 2.052 -9.275 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.534 1.689 -9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.117 0.163 -8.516 1.00 0.00 H new ATOM 100 N PHE A 7 1.060 -0.279 -8.413 1.00 0.00 N ATOM 101 CA PHE A 7 0.227 -1.283 -7.809 1.00 0.00 C ATOM 102 C PHE A 7 0.582 -2.626 -8.387 1.00 0.00 C ATOM 103 O PHE A 7 0.878 -2.741 -9.590 1.00 0.00 O ATOM 104 CB PHE A 7 -1.267 -1.019 -8.088 1.00 0.00 C ATOM 105 CG PHE A 7 -1.829 0.269 -7.538 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.788 1.437 -8.285 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.418 0.301 -6.287 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.319 2.611 -7.789 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.954 1.473 -5.787 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.903 2.629 -6.537 1.00 0.00 C ATOM 0 H PHE A 7 1.062 -0.301 -9.433 1.00 0.00 H new ATOM 0 HA PHE A 7 0.394 -1.258 -6.732 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.421 -1.027 -9.167 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.844 -1.848 -7.678 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.336 1.428 -9.266 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.460 -0.600 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.278 3.515 -8.379 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.413 1.483 -4.809 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.319 3.546 -6.147 1.00 0.00 H new ATOM 120 N ASP A 8 0.589 -3.630 -7.563 1.00 0.00 N ATOM 121 CA ASP A 8 0.778 -4.975 -8.044 1.00 0.00 C ATOM 122 C ASP A 8 -0.553 -5.466 -8.589 1.00 0.00 C ATOM 123 O ASP A 8 -1.605 -4.961 -8.187 1.00 0.00 O ATOM 124 CB ASP A 8 1.279 -5.908 -6.940 1.00 0.00 C ATOM 125 CG ASP A 8 1.528 -7.307 -7.452 1.00 0.00 C ATOM 126 OD1 ASP A 8 2.649 -7.596 -7.925 1.00 0.00 O ATOM 127 OD2 ASP A 8 0.619 -8.147 -7.397 1.00 0.00 O ATOM 0 H ASP A 8 0.466 -3.549 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 8 1.539 -4.976 -8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.200 -5.507 -6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.546 -5.942 -6.134 1.00 0.00 H new ATOM 132 N GLU A 9 -0.520 -6.414 -9.505 1.00 0.00 N ATOM 133 CA GLU A 9 -1.726 -6.946 -10.112 1.00 0.00 C ATOM 134 C GLU A 9 -2.699 -7.537 -9.082 1.00 0.00 C ATOM 135 O GLU A 9 -3.904 -7.557 -9.323 1.00 0.00 O ATOM 136 CB GLU A 9 -1.406 -7.991 -11.161 1.00 0.00 C ATOM 137 CG GLU A 9 -0.592 -9.151 -10.645 1.00 0.00 C ATOM 138 CD GLU A 9 -0.585 -10.285 -11.602 1.00 0.00 C ATOM 139 OE1 GLU A 9 0.107 -10.209 -12.635 1.00 0.00 O ATOM 140 OE2 GLU A 9 -1.291 -11.265 -11.361 1.00 0.00 O ATOM 0 H GLU A 9 0.342 -6.837 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.216 -6.097 -10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.339 -8.372 -11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.864 -7.516 -11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.431 -8.824 -10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.997 -9.484 -9.689 1.00 0.00 H new ATOM 147 N ARG A 10 -2.185 -8.050 -7.962 1.00 0.00 N ATOM 148 CA ARG A 10 -3.071 -8.583 -6.926 1.00 0.00 C ATOM 149 C ARG A 10 -3.823 -7.428 -6.320 1.00 0.00 C ATOM 150 O ARG A 10 -5.051 -7.435 -6.248 1.00 0.00 O ATOM 151 CB ARG A 10 -2.312 -9.283 -5.808 1.00 0.00 C ATOM 152 CG ARG A 10 -1.317 -10.325 -6.245 1.00 0.00 C ATOM 153 CD ARG A 10 -0.784 -11.078 -5.047 1.00 0.00 C ATOM 154 NE ARG A 10 -1.734 -12.085 -4.548 1.00 0.00 N ATOM 155 CZ ARG A 10 -2.435 -12.021 -3.398 1.00 0.00 C ATOM 156 NH1 ARG A 10 -2.643 -10.852 -2.774 1.00 0.00 N ATOM 157 NH2 ARG A 10 -3.002 -13.117 -2.920 1.00 0.00 N ATOM 0 H ARG A 10 -1.188 -8.107 -7.752 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.730 -9.315 -7.394 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.786 -8.528 -5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.035 -9.755 -5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.790 -11.020 -6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.494 -9.850 -6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.152 -11.568 -5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.556 -10.371 -4.249 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.876 -12.912 -5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.268 -9.989 -3.169 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.176 -10.826 -1.905 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.907 -14.000 -3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.534 -13.078 -2.051 1.00 0.00 H new ATOM 171 N ALA A 11 -3.062 -6.397 -5.983 1.00 0.00 N ATOM 172 CA ALA A 11 -3.571 -5.199 -5.358 1.00 0.00 C ATOM 173 C ALA A 11 -4.579 -4.495 -6.244 1.00 0.00 C ATOM 174 O ALA A 11 -5.454 -3.831 -5.755 1.00 0.00 O ATOM 175 CB ALA A 11 -2.433 -4.262 -4.995 1.00 0.00 C ATOM 0 H ALA A 11 -2.055 -6.376 -6.142 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.085 -5.495 -4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.836 -3.365 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.757 -4.762 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.888 -3.985 -5.897 1.00 0.00 H new ATOM 181 N LEU A 12 -4.462 -4.666 -7.554 1.00 0.00 N ATOM 182 CA LEU A 12 -5.383 -4.048 -8.484 1.00 0.00 C ATOM 183 C LEU A 12 -6.739 -4.695 -8.410 1.00 0.00 C ATOM 184 O LEU A 12 -7.767 -4.021 -8.486 1.00 0.00 O ATOM 185 CB LEU A 12 -4.849 -4.090 -9.910 1.00 0.00 C ATOM 186 CG LEU A 12 -3.754 -3.083 -10.251 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.259 -3.305 -11.671 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.291 -1.659 -10.100 1.00 0.00 C ATOM 0 H LEU A 12 -3.734 -5.230 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.484 -3.002 -8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.465 -5.092 -10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.684 -3.932 -10.593 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.920 -3.224 -9.564 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.478 -2.580 -11.902 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.856 -4.314 -11.762 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.087 -3.180 -12.369 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.504 -0.946 -10.345 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.135 -1.515 -10.775 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.618 -1.500 -9.072 1.00 0.00 H new ATOM 200 N LYS A 13 -6.741 -5.991 -8.226 1.00 0.00 N ATOM 201 CA LYS A 13 -7.966 -6.742 -8.100 1.00 0.00 C ATOM 202 C LYS A 13 -8.667 -6.309 -6.819 1.00 0.00 C ATOM 203 O LYS A 13 -9.871 -6.058 -6.800 1.00 0.00 O ATOM 204 CB LYS A 13 -7.644 -8.228 -8.035 1.00 0.00 C ATOM 205 CG LYS A 13 -6.897 -8.760 -9.242 1.00 0.00 C ATOM 206 CD LYS A 13 -6.475 -10.188 -9.005 1.00 0.00 C ATOM 207 CE LYS A 13 -5.822 -10.810 -10.235 1.00 0.00 C ATOM 208 NZ LYS A 13 -4.490 -10.235 -10.523 1.00 0.00 N ATOM 0 H LYS A 13 -5.894 -6.556 -8.159 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.613 -6.557 -8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.050 -8.420 -7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.575 -8.785 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.532 -8.703 -10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.021 -8.142 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.777 -10.224 -8.168 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.345 -10.779 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.725 -11.885 -10.086 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.471 -10.665 -11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.411 -10.036 -11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.370 -9.352 -9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.752 -10.913 -10.244 1.00 0.00 H new ATOM 222 N GLU A 14 -7.872 -6.169 -5.787 1.00 0.00 N ATOM 223 CA GLU A 14 -8.312 -5.753 -4.471 1.00 0.00 C ATOM 224 C GLU A 14 -8.816 -4.291 -4.493 1.00 0.00 C ATOM 225 O GLU A 14 -9.861 -3.966 -3.941 1.00 0.00 O ATOM 226 CB GLU A 14 -7.132 -5.924 -3.519 1.00 0.00 C ATOM 227 CG GLU A 14 -6.658 -7.368 -3.427 1.00 0.00 C ATOM 228 CD GLU A 14 -5.351 -7.547 -2.699 1.00 0.00 C ATOM 229 OE1 GLU A 14 -5.182 -6.964 -1.607 1.00 0.00 O ATOM 230 OE2 GLU A 14 -4.498 -8.325 -3.184 1.00 0.00 O ATOM 0 H GLU A 14 -6.869 -6.346 -5.838 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.151 -6.363 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.307 -5.295 -3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.417 -5.575 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.424 -7.958 -2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.557 -7.770 -4.435 1.00 0.00 H new ATOM 237 N TRP A 15 -8.081 -3.446 -5.178 1.00 0.00 N ATOM 238 CA TRP A 15 -8.390 -2.021 -5.337 1.00 0.00 C ATOM 239 C TRP A 15 -9.716 -1.831 -6.090 1.00 0.00 C ATOM 240 O TRP A 15 -10.525 -0.960 -5.752 1.00 0.00 O ATOM 241 CB TRP A 15 -7.224 -1.370 -6.101 1.00 0.00 C ATOM 242 CG TRP A 15 -7.306 0.101 -6.316 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.740 0.740 -7.436 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.903 1.119 -5.401 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.646 2.095 -7.269 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.131 2.356 -6.027 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.374 1.102 -4.108 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.847 3.563 -5.405 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.093 2.299 -3.493 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.327 3.511 -4.139 1.00 0.00 C ATOM 0 H TRP A 15 -7.226 -3.726 -5.658 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.507 -1.549 -4.361 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.301 -1.584 -5.562 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.143 -1.853 -7.075 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.105 0.250 -8.326 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.916 2.797 -7.958 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.189 0.166 -3.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.029 4.506 -5.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.684 2.300 -2.493 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.092 4.433 -3.628 1.00 0.00 H new ATOM 261 N ARG A 16 -9.924 -2.628 -7.115 1.00 0.00 N ATOM 262 CA ARG A 16 -11.164 -2.572 -7.873 1.00 0.00 C ATOM 263 C ARG A 16 -12.309 -3.216 -7.114 1.00 0.00 C ATOM 264 O ARG A 16 -13.470 -2.897 -7.342 1.00 0.00 O ATOM 265 CB ARG A 16 -10.997 -3.163 -9.257 1.00 0.00 C ATOM 266 CG ARG A 16 -10.025 -2.379 -10.106 1.00 0.00 C ATOM 267 CD ARG A 16 -9.850 -3.003 -11.461 1.00 0.00 C ATOM 268 NE ARG A 16 -8.879 -2.264 -12.260 1.00 0.00 N ATOM 269 CZ ARG A 16 -8.587 -2.490 -13.542 1.00 0.00 C ATOM 270 NH1 ARG A 16 -9.268 -3.408 -14.236 1.00 0.00 N ATOM 271 NH2 ARG A 16 -7.621 -1.779 -14.131 1.00 0.00 N ATOM 0 H ARG A 16 -9.255 -3.323 -7.446 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.420 -1.521 -8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.650 -4.193 -9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.966 -3.194 -9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.382 -1.356 -10.219 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.060 -2.326 -9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.522 -4.036 -11.349 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.808 -3.028 -11.980 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.378 -1.506 -11.797 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.014 -3.938 -13.785 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.042 -3.578 -15.216 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.114 -1.070 -13.601 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.391 -1.945 -15.111 1.00 0.00 H new ATOM 285 N LYS A 17 -11.973 -4.125 -6.212 1.00 0.00 N ATOM 286 CA LYS A 17 -12.951 -4.751 -5.328 1.00 0.00 C ATOM 287 C LYS A 17 -13.491 -3.691 -4.354 1.00 0.00 C ATOM 288 O LYS A 17 -14.654 -3.742 -3.919 1.00 0.00 O ATOM 289 CB LYS A 17 -12.299 -5.903 -4.565 1.00 0.00 C ATOM 290 CG LYS A 17 -13.238 -6.667 -3.663 1.00 0.00 C ATOM 291 CD LYS A 17 -12.501 -7.741 -2.903 1.00 0.00 C ATOM 292 CE LYS A 17 -13.441 -8.522 -2.012 1.00 0.00 C ATOM 293 NZ LYS A 17 -14.450 -9.282 -2.786 1.00 0.00 N ATOM 0 H LYS A 17 -11.017 -4.451 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.778 -5.155 -5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.861 -6.596 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.480 -5.507 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.713 -5.981 -2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.033 -7.117 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.014 -8.418 -3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.715 -7.288 -2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.864 -9.212 -1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.948 -7.836 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.913 -9.977 -2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.163 -8.626 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.983 -9.777 -3.573 1.00 0.00 H new ATOM 307 N LEU A 18 -12.631 -2.747 -4.013 1.00 0.00 N ATOM 308 CA LEU A 18 -13.013 -1.597 -3.219 1.00 0.00 C ATOM 309 C LEU A 18 -14.004 -0.770 -3.977 1.00 0.00 C ATOM 310 O LEU A 18 -13.874 -0.610 -5.192 1.00 0.00 O ATOM 311 CB LEU A 18 -11.801 -0.758 -2.825 1.00 0.00 C ATOM 312 CG LEU A 18 -11.183 -1.057 -1.464 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.951 -2.534 -1.261 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.897 -0.290 -1.307 1.00 0.00 C ATOM 0 H LEU A 18 -11.647 -2.758 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.472 -1.954 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.032 -0.890 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.092 0.292 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.889 -0.737 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.510 -2.701 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.901 -3.064 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.274 -2.905 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.460 -0.508 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.200 -0.584 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.099 0.778 -1.383 1.00 0.00 H new ATOM 326 N GLY A 19 -14.967 -0.253 -3.252 1.00 0.00 N ATOM 327 CA GLY A 19 -16.103 0.449 -3.842 1.00 0.00 C ATOM 328 C GLY A 19 -15.725 1.617 -4.726 1.00 0.00 C ATOM 329 O GLY A 19 -15.657 1.490 -5.949 1.00 0.00 O ATOM 0 H GLY A 19 -14.993 -0.302 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.688 -0.260 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.748 0.809 -3.041 1.00 0.00 H new ATOM 333 N SER A 20 -15.494 2.736 -4.119 1.00 0.00 N ATOM 334 CA SER A 20 -15.132 3.924 -4.822 1.00 0.00 C ATOM 335 C SER A 20 -14.552 4.906 -3.823 1.00 0.00 C ATOM 336 O SER A 20 -13.376 5.225 -3.873 1.00 0.00 O ATOM 337 CB SER A 20 -16.367 4.522 -5.540 1.00 0.00 C ATOM 338 OG SER A 20 -16.019 5.641 -6.323 1.00 0.00 O ATOM 0 H SER A 20 -15.552 2.852 -3.107 1.00 0.00 H new ATOM 0 HA SER A 20 -14.389 3.700 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.824 3.762 -6.173 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.114 4.812 -4.801 1.00 0.00 H new ATOM 0 HG SER A 20 -16.820 5.994 -6.764 1.00 0.00 H new ATOM 344 N THR A 21 -15.357 5.276 -2.862 1.00 0.00 N ATOM 345 CA THR A 21 -14.995 6.248 -1.859 1.00 0.00 C ATOM 346 C THR A 21 -13.814 5.734 -1.017 1.00 0.00 C ATOM 347 O THR A 21 -12.817 6.427 -0.852 1.00 0.00 O ATOM 348 CB THR A 21 -16.225 6.539 -0.975 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.381 6.664 -1.840 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.060 7.842 -0.221 1.00 0.00 C ATOM 0 H THR A 21 -16.300 4.905 -2.751 1.00 0.00 H new ATOM 0 HA THR A 21 -14.678 7.174 -2.339 1.00 0.00 H new ATOM 0 HB THR A 21 -16.341 5.728 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.177 6.848 -1.298 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.942 8.021 0.394 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.179 7.784 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.940 8.660 -0.931 1.00 0.00 H new ATOM 358 N VAL A 22 -13.896 4.474 -0.605 1.00 0.00 N ATOM 359 CA VAL A 22 -12.864 3.846 0.209 1.00 0.00 C ATOM 360 C VAL A 22 -11.520 3.858 -0.512 1.00 0.00 C ATOM 361 O VAL A 22 -10.506 4.272 0.055 1.00 0.00 O ATOM 362 CB VAL A 22 -13.261 2.386 0.562 1.00 0.00 C ATOM 363 CG1 VAL A 22 -12.105 1.628 1.176 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.435 2.377 1.519 1.00 0.00 C ATOM 0 H VAL A 22 -14.680 3.860 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.769 4.420 1.131 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.542 1.890 -0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.420 0.611 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.274 1.598 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.787 2.128 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.702 1.347 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.162 2.902 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.287 2.875 1.055 1.00 0.00 H new ATOM 374 N ARG A 23 -11.522 3.463 -1.768 1.00 0.00 N ATOM 375 CA ARG A 23 -10.292 3.463 -2.525 1.00 0.00 C ATOM 376 C ARG A 23 -9.799 4.877 -2.790 1.00 0.00 C ATOM 377 O ARG A 23 -8.609 5.120 -2.801 1.00 0.00 O ATOM 378 CB ARG A 23 -10.362 2.650 -3.808 1.00 0.00 C ATOM 379 CG ARG A 23 -11.473 3.030 -4.749 1.00 0.00 C ATOM 380 CD ARG A 23 -11.197 2.471 -6.110 1.00 0.00 C ATOM 381 NE ARG A 23 -12.198 2.872 -7.102 1.00 0.00 N ATOM 382 CZ ARG A 23 -12.743 2.050 -8.017 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.559 0.724 -7.938 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.513 2.554 -8.979 1.00 0.00 N ATOM 0 H ARG A 23 -12.346 3.144 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.560 2.959 -1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.412 2.749 -4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.473 1.598 -3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.424 2.650 -4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.562 4.115 -4.802 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.212 2.801 -6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.166 1.383 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.504 3.845 -7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.002 0.331 -7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.976 0.109 -8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.687 3.558 -9.019 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.929 1.936 -9.676 1.00 0.00 H new ATOM 398 N GLU A 24 -10.718 5.801 -3.000 1.00 0.00 N ATOM 399 CA GLU A 24 -10.352 7.178 -3.229 1.00 0.00 C ATOM 400 C GLU A 24 -9.664 7.799 -2.032 1.00 0.00 C ATOM 401 O GLU A 24 -8.668 8.500 -2.208 1.00 0.00 O ATOM 402 CB GLU A 24 -11.513 8.018 -3.706 1.00 0.00 C ATOM 403 CG GLU A 24 -11.915 7.716 -5.132 1.00 0.00 C ATOM 404 CD GLU A 24 -12.955 8.657 -5.638 1.00 0.00 C ATOM 405 OE1 GLU A 24 -12.617 9.828 -5.908 1.00 0.00 O ATOM 406 OE2 GLU A 24 -14.112 8.261 -5.790 1.00 0.00 O ATOM 0 H GLU A 24 -11.721 5.619 -3.016 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.625 7.162 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.368 7.852 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.249 9.072 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.036 7.770 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.292 6.695 -5.193 1.00 0.00 H new ATOM 413 N GLN A 25 -10.156 7.536 -0.819 1.00 0.00 N ATOM 414 CA GLN A 25 -9.455 8.036 0.362 1.00 0.00 C ATOM 415 C GLN A 25 -8.083 7.430 0.444 1.00 0.00 C ATOM 416 O GLN A 25 -7.119 8.141 0.648 1.00 0.00 O ATOM 417 CB GLN A 25 -10.186 7.831 1.696 1.00 0.00 C ATOM 418 CG GLN A 25 -11.295 8.836 2.016 1.00 0.00 C ATOM 419 CD GLN A 25 -12.506 8.738 1.137 1.00 0.00 C ATOM 420 OE1 GLN A 25 -13.439 8.006 1.445 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.523 9.488 0.060 1.00 0.00 N ATOM 0 H GLN A 25 -11.004 7.001 -0.633 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.403 9.115 0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.618 6.830 1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.450 7.864 2.499 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.603 8.697 3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.887 9.844 1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.724 10.083 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.335 9.475 -0.557 1.00 0.00 H new ATOM 430 N LEU A 26 -7.995 6.122 0.228 1.00 0.00 N ATOM 431 CA LEU A 26 -6.717 5.419 0.252 1.00 0.00 C ATOM 432 C LEU A 26 -5.751 5.988 -0.771 1.00 0.00 C ATOM 433 O LEU A 26 -4.580 6.198 -0.460 1.00 0.00 O ATOM 434 CB LEU A 26 -6.905 3.924 0.051 1.00 0.00 C ATOM 435 CG LEU A 26 -7.594 3.183 1.205 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.826 1.737 0.844 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.755 3.272 2.476 1.00 0.00 C ATOM 0 H LEU A 26 -8.798 5.524 0.033 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.281 5.571 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.487 3.768 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.927 3.472 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.558 3.659 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.315 1.229 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.460 1.680 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.870 1.256 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.260 2.741 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.778 2.821 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.627 4.318 2.755 1.00 0.00 H new ATOM 449 N LYS A 27 -6.248 6.264 -1.974 1.00 0.00 N ATOM 450 CA LYS A 27 -5.447 6.896 -3.010 1.00 0.00 C ATOM 451 C LYS A 27 -4.914 8.245 -2.519 1.00 0.00 C ATOM 452 O LYS A 27 -3.746 8.552 -2.687 1.00 0.00 O ATOM 453 CB LYS A 27 -6.294 7.138 -4.250 1.00 0.00 C ATOM 454 CG LYS A 27 -5.535 7.807 -5.387 1.00 0.00 C ATOM 455 CD LYS A 27 -6.457 8.283 -6.494 1.00 0.00 C ATOM 456 CE LYS A 27 -7.346 9.430 -6.023 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.235 9.913 -7.098 1.00 0.00 N ATOM 0 H LYS A 27 -7.207 6.057 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.615 6.233 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.690 6.185 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.148 7.759 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.973 8.655 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.809 7.106 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.864 8.608 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.079 7.454 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.947 9.100 -5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.723 10.252 -5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.823 10.692 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.662 10.252 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.848 9.136 -7.417 1.00 0.00 H new ATOM 471 N LYS A 28 -5.777 9.020 -1.881 1.00 0.00 N ATOM 472 CA LYS A 28 -5.404 10.329 -1.351 1.00 0.00 C ATOM 473 C LYS A 28 -4.374 10.188 -0.247 1.00 0.00 C ATOM 474 O LYS A 28 -3.490 11.049 -0.088 1.00 0.00 O ATOM 475 CB LYS A 28 -6.619 11.086 -0.837 1.00 0.00 C ATOM 476 CG LYS A 28 -7.643 11.406 -1.892 1.00 0.00 C ATOM 477 CD LYS A 28 -8.842 12.072 -1.265 1.00 0.00 C ATOM 478 CE LYS A 28 -9.944 12.289 -2.264 1.00 0.00 C ATOM 479 NZ LYS A 28 -9.563 13.212 -3.362 1.00 0.00 N ATOM 0 H LYS A 28 -6.750 8.765 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.967 10.901 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.095 10.496 -0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.285 12.016 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.207 12.061 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.950 10.492 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.211 11.458 -0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.544 13.030 -0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.234 11.328 -2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.819 12.687 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.384 13.374 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.247 14.118 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.790 12.791 -3.917 1.00 0.00 H new ATOM 493 N LYS A 29 -4.492 9.114 0.527 1.00 0.00 N ATOM 494 CA LYS A 29 -3.538 8.839 1.590 1.00 0.00 C ATOM 495 C LYS A 29 -2.179 8.508 0.981 1.00 0.00 C ATOM 496 O LYS A 29 -1.140 8.832 1.549 1.00 0.00 O ATOM 497 CB LYS A 29 -3.982 7.705 2.553 1.00 0.00 C ATOM 498 CG LYS A 29 -5.434 7.747 3.057 1.00 0.00 C ATOM 499 CD LYS A 29 -5.863 9.106 3.595 1.00 0.00 C ATOM 500 CE LYS A 29 -5.067 9.544 4.798 1.00 0.00 C ATOM 501 NZ LYS A 29 -5.254 8.668 5.974 1.00 0.00 N ATOM 0 H LYS A 29 -5.237 8.423 0.437 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.477 9.742 2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.826 6.751 2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.322 7.719 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.099 7.464 2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.557 7.001 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.759 9.852 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.920 9.068 3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.009 9.568 4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.353 10.562 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.749 9.069 6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.268 8.596 6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.877 7.721 5.765 1.00 0.00 H new ATOM 515 N LEU A 30 -2.203 7.855 -0.162 1.00 0.00 N ATOM 516 CA LEU A 30 -0.997 7.558 -0.908 1.00 0.00 C ATOM 517 C LEU A 30 -0.408 8.846 -1.472 1.00 0.00 C ATOM 518 O LEU A 30 0.796 9.052 -1.442 1.00 0.00 O ATOM 519 CB LEU A 30 -1.290 6.577 -2.044 1.00 0.00 C ATOM 520 CG LEU A 30 -1.879 5.229 -1.631 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.144 4.370 -2.848 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.959 4.518 -0.654 1.00 0.00 C ATOM 0 H LEU A 30 -3.059 7.515 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.277 7.097 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.980 7.054 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.363 6.395 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.830 5.408 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.563 3.414 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.850 4.878 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.210 4.198 -3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.397 3.560 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.010 4.350 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.829 5.133 0.237 1.00 0.00 H new ATOM 534 N VAL A 31 -1.278 9.719 -1.961 1.00 0.00 N ATOM 535 CA VAL A 31 -0.864 10.993 -2.530 1.00 0.00 C ATOM 536 C VAL A 31 -0.142 11.858 -1.486 1.00 0.00 C ATOM 537 O VAL A 31 0.931 12.392 -1.756 1.00 0.00 O ATOM 538 CB VAL A 31 -2.081 11.762 -3.137 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.691 13.154 -3.608 1.00 0.00 C ATOM 540 CG2 VAL A 31 -2.657 10.978 -4.294 1.00 0.00 C ATOM 0 H VAL A 31 -2.286 9.565 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.162 10.780 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.829 11.871 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.565 13.656 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.309 13.730 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.919 13.076 -4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.505 11.519 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.894 10.848 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.988 10.001 -3.942 1.00 0.00 H new ATOM 550 N GLU A 32 -0.696 11.944 -0.292 1.00 0.00 N ATOM 551 CA GLU A 32 -0.059 12.696 0.780 1.00 0.00 C ATOM 552 C GLU A 32 1.218 12.003 1.262 1.00 0.00 C ATOM 553 O GLU A 32 2.227 12.653 1.541 1.00 0.00 O ATOM 554 CB GLU A 32 -1.020 12.937 1.950 1.00 0.00 C ATOM 555 CG GLU A 32 -1.598 11.675 2.524 1.00 0.00 C ATOM 556 CD GLU A 32 -2.450 11.882 3.732 1.00 0.00 C ATOM 557 OE1 GLU A 32 -3.596 12.336 3.596 1.00 0.00 O ATOM 558 OE2 GLU A 32 -2.000 11.539 4.853 1.00 0.00 O ATOM 0 H GLU A 32 -1.581 11.506 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 32 0.216 13.668 0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.493 13.476 2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.834 13.579 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.192 11.179 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.782 11.000 2.781 1.00 0.00 H new ATOM 565 N VAL A 33 1.179 10.679 1.318 1.00 0.00 N ATOM 566 CA VAL A 33 2.288 9.914 1.828 1.00 0.00 C ATOM 567 C VAL A 33 3.494 10.031 0.907 1.00 0.00 C ATOM 568 O VAL A 33 4.590 9.997 1.357 1.00 0.00 O ATOM 569 CB VAL A 33 1.941 8.429 2.165 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.118 7.475 0.986 1.00 0.00 C ATOM 571 CG2 VAL A 33 2.707 7.967 3.392 1.00 0.00 C ATOM 0 H VAL A 33 0.384 10.118 1.013 1.00 0.00 H new ATOM 0 HA VAL A 33 2.546 10.358 2.790 1.00 0.00 H new ATOM 0 HB VAL A 33 0.875 8.401 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.859 6.462 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.467 7.783 0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.155 7.498 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.452 6.930 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.778 8.045 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.442 8.593 4.244 1.00 0.00 H new ATOM 581 N LEU A 34 3.250 10.210 -0.386 1.00 0.00 N ATOM 582 CA LEU A 34 4.311 10.338 -1.396 1.00 0.00 C ATOM 583 C LEU A 34 5.339 11.420 -1.086 1.00 0.00 C ATOM 584 O LEU A 34 6.446 11.350 -1.598 1.00 0.00 O ATOM 585 CB LEU A 34 3.752 10.547 -2.808 1.00 0.00 C ATOM 586 CG LEU A 34 3.135 9.328 -3.494 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.578 9.719 -4.853 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.176 8.223 -3.652 1.00 0.00 C ATOM 0 H LEU A 34 2.308 10.272 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 34 4.830 9.381 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.995 11.329 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.558 10.921 -3.440 1.00 0.00 H new ATOM 0 HG LEU A 34 2.321 8.954 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.141 8.843 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.811 10.483 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.382 10.111 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.721 7.362 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.006 8.589 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.546 7.928 -2.670 1.00 0.00 H new ATOM 600 N GLU A 35 4.982 12.441 -0.297 1.00 0.00 N ATOM 601 CA GLU A 35 5.974 13.468 0.045 1.00 0.00 C ATOM 602 C GLU A 35 7.034 12.890 1.011 1.00 0.00 C ATOM 603 O GLU A 35 8.174 13.362 1.064 1.00 0.00 O ATOM 604 CB GLU A 35 5.325 14.715 0.657 1.00 0.00 C ATOM 605 CG GLU A 35 4.654 14.480 1.993 1.00 0.00 C ATOM 606 CD GLU A 35 4.166 15.745 2.622 1.00 0.00 C ATOM 607 OE1 GLU A 35 4.955 16.414 3.318 1.00 0.00 O ATOM 608 OE2 GLU A 35 2.980 16.102 2.450 1.00 0.00 O ATOM 0 H GLU A 35 4.053 12.577 0.103 1.00 0.00 H new ATOM 0 HA GLU A 35 6.459 13.773 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.088 15.484 0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.586 15.106 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.814 13.798 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.357 13.991 2.667 1.00 0.00 H new ATOM 615 N SER A 36 6.650 11.863 1.745 1.00 0.00 N ATOM 616 CA SER A 36 7.511 11.208 2.693 1.00 0.00 C ATOM 617 C SER A 36 6.940 9.826 3.034 1.00 0.00 C ATOM 618 O SER A 36 6.304 9.659 4.053 1.00 0.00 O ATOM 619 CB SER A 36 7.660 12.079 3.959 1.00 0.00 C ATOM 620 OG SER A 36 6.379 12.417 4.499 1.00 0.00 O ATOM 0 H SER A 36 5.715 11.459 1.693 1.00 0.00 H new ATOM 0 HA SER A 36 8.502 11.074 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.245 11.544 4.707 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.209 12.989 3.717 1.00 0.00 H new ATOM 0 HG SER A 36 5.834 11.607 4.580 1.00 0.00 H new ATOM 626 N PRO A 37 7.080 8.827 2.137 1.00 0.00 N ATOM 627 CA PRO A 37 6.506 7.494 2.369 1.00 0.00 C ATOM 628 C PRO A 37 7.367 6.653 3.288 1.00 0.00 C ATOM 629 O PRO A 37 6.989 5.570 3.702 1.00 0.00 O ATOM 630 CB PRO A 37 6.432 6.889 0.972 1.00 0.00 C ATOM 631 CG PRO A 37 7.543 7.536 0.225 1.00 0.00 C ATOM 632 CD PRO A 37 7.721 8.921 0.810 1.00 0.00 C ATOM 0 HA PRO A 37 5.537 7.542 2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.552 5.806 1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.469 7.090 0.503 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.461 6.956 0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.311 7.593 -0.838 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.775 9.188 0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.247 9.681 0.190 1.00 0.00 H new ATOM 640 N ARG A 38 8.502 7.187 3.638 1.00 0.00 N ATOM 641 CA ARG A 38 9.428 6.515 4.500 1.00 0.00 C ATOM 642 C ARG A 38 9.191 6.874 5.976 1.00 0.00 C ATOM 643 O ARG A 38 10.116 7.008 6.765 1.00 0.00 O ATOM 644 CB ARG A 38 10.884 6.719 4.000 1.00 0.00 C ATOM 645 CG ARG A 38 11.314 8.158 3.659 1.00 0.00 C ATOM 646 CD ARG A 38 11.568 9.012 4.887 1.00 0.00 C ATOM 647 NE ARG A 38 12.631 8.456 5.737 1.00 0.00 N ATOM 648 CZ ARG A 38 12.919 8.884 6.973 1.00 0.00 C ATOM 649 NH1 ARG A 38 12.270 9.926 7.492 1.00 0.00 N ATOM 650 NH2 ARG A 38 13.879 8.296 7.673 1.00 0.00 N ATOM 0 H ARG A 38 8.812 8.109 3.330 1.00 0.00 H new ATOM 0 HA ARG A 38 9.251 5.440 4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.561 6.336 4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.026 6.104 3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.219 8.126 3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.540 8.627 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.843 10.020 4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.648 9.096 5.466 1.00 0.00 H new ATOM 0 HE ARG A 38 13.189 7.690 5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.550 10.401 6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.493 10.248 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.399 7.517 7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.097 8.623 8.614 1.00 0.00 H new ATOM 664 N ILE A 39 7.925 6.945 6.345 1.00 0.00 N ATOM 665 CA ILE A 39 7.536 7.243 7.705 1.00 0.00 C ATOM 666 C ILE A 39 7.604 5.955 8.510 1.00 0.00 C ATOM 667 O ILE A 39 6.661 5.145 8.520 1.00 0.00 O ATOM 668 CB ILE A 39 6.107 7.885 7.776 1.00 0.00 C ATOM 669 CG1 ILE A 39 6.118 9.231 7.043 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.642 8.071 9.225 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.769 9.920 6.944 1.00 0.00 C ATOM 0 H ILE A 39 7.141 6.797 5.709 1.00 0.00 H new ATOM 0 HA ILE A 39 8.220 7.981 8.124 1.00 0.00 H new ATOM 0 HB ILE A 39 5.402 7.209 7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.813 9.899 7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.504 9.076 6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.648 8.518 9.234 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.608 7.102 9.724 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.339 8.725 9.750 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.881 10.863 6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.071 9.278 6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.385 10.114 7.946 1.00 0.00 H new ATOM 683 N GLU A 40 8.759 5.762 9.141 1.00 0.00 N ATOM 684 CA GLU A 40 9.111 4.563 9.900 1.00 0.00 C ATOM 685 C GLU A 40 8.111 4.211 11.010 1.00 0.00 C ATOM 686 O GLU A 40 8.054 3.071 11.462 1.00 0.00 O ATOM 687 CB GLU A 40 10.555 4.661 10.422 1.00 0.00 C ATOM 688 CG GLU A 40 10.863 5.931 11.201 1.00 0.00 C ATOM 689 CD GLU A 40 12.312 6.027 11.614 1.00 0.00 C ATOM 690 OE1 GLU A 40 13.147 6.506 10.808 1.00 0.00 O ATOM 691 OE2 GLU A 40 12.641 5.653 12.756 1.00 0.00 O ATOM 0 H GLU A 40 9.503 6.460 9.138 1.00 0.00 H new ATOM 0 HA GLU A 40 9.052 3.726 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.755 3.801 11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.238 4.595 9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.606 6.797 10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.233 5.968 12.090 1.00 0.00 H new ATOM 698 N ALA A 41 7.305 5.174 11.407 1.00 0.00 N ATOM 699 CA ALA A 41 6.254 4.953 12.387 1.00 0.00 C ATOM 700 C ALA A 41 5.189 3.989 11.843 1.00 0.00 C ATOM 701 O ALA A 41 4.625 3.185 12.584 1.00 0.00 O ATOM 702 CB ALA A 41 5.606 6.277 12.757 1.00 0.00 C ATOM 0 H ALA A 41 7.357 6.132 11.062 1.00 0.00 H new ATOM 0 HA ALA A 41 6.703 4.506 13.274 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.819 6.104 13.492 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.357 6.944 13.180 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.176 6.733 11.865 1.00 0.00 H new ATOM 708 N ASN A 42 4.961 4.038 10.543 1.00 0.00 N ATOM 709 CA ASN A 42 3.924 3.216 9.898 1.00 0.00 C ATOM 710 C ASN A 42 4.540 2.011 9.230 1.00 0.00 C ATOM 711 O ASN A 42 3.871 1.288 8.484 1.00 0.00 O ATOM 712 CB ASN A 42 3.158 4.023 8.835 1.00 0.00 C ATOM 713 CG ASN A 42 2.353 5.175 9.394 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.866 5.130 10.531 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.202 6.215 8.604 1.00 0.00 N ATOM 0 H ASN A 42 5.477 4.639 9.900 1.00 0.00 H new ATOM 0 HA ASN A 42 3.234 2.897 10.679 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.870 4.411 8.107 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.487 3.352 8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.668 7.024 8.922 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.619 6.213 7.673 1.00 0.00 H new ATOM 722 N LYS A 43 5.801 1.796 9.489 1.00 0.00 N ATOM 723 CA LYS A 43 6.532 0.755 8.901 1.00 0.00 C ATOM 724 C LYS A 43 6.262 -0.547 9.623 1.00 0.00 C ATOM 725 O LYS A 43 6.056 -0.563 10.840 1.00 0.00 O ATOM 726 CB LYS A 43 7.985 1.134 8.985 1.00 0.00 C ATOM 727 CG LYS A 43 8.841 0.442 8.010 1.00 0.00 C ATOM 728 CD LYS A 43 10.198 1.105 7.929 1.00 0.00 C ATOM 729 CE LYS A 43 10.950 0.638 6.712 1.00 0.00 C ATOM 730 NZ LYS A 43 12.132 1.468 6.438 1.00 0.00 N ATOM 0 H LYS A 43 6.345 2.367 10.136 1.00 0.00 H new ATOM 0 HA LYS A 43 6.241 0.608 7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.078 2.210 8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.349 0.919 9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.957 -0.603 8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.366 0.452 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.077 2.188 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.773 0.877 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.260 -0.397 6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.286 0.657 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.693 1.033 5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.828 2.418 6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.712 1.540 7.298 1.00 0.00 H new ATOM 744 N LEU A 44 6.232 -1.612 8.875 1.00 0.00 N ATOM 745 CA LEU A 44 5.995 -2.920 9.412 1.00 0.00 C ATOM 746 C LEU A 44 7.268 -3.455 10.029 1.00 0.00 C ATOM 747 O LEU A 44 8.368 -3.089 9.600 1.00 0.00 O ATOM 748 CB LEU A 44 5.459 -3.842 8.331 1.00 0.00 C ATOM 749 CG LEU A 44 4.123 -3.420 7.723 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.663 -4.403 6.682 1.00 0.00 C ATOM 751 CD2 LEU A 44 3.077 -3.280 8.792 1.00 0.00 C ATOM 0 H LEU A 44 6.373 -1.596 7.865 1.00 0.00 H new ATOM 0 HA LEU A 44 5.240 -2.864 10.196 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.199 -3.909 7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.350 -4.842 8.750 1.00 0.00 H new ATOM 0 HG LEU A 44 4.270 -2.454 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.710 -4.075 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.404 -4.462 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.542 -5.386 7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.132 -2.979 8.339 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.947 -4.235 9.301 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.391 -2.525 9.512 1.00 0.00 H new ATOM 763 N ARG A 45 7.115 -4.321 11.007 1.00 0.00 N ATOM 764 CA ARG A 45 8.216 -4.798 11.830 1.00 0.00 C ATOM 765 C ARG A 45 9.272 -5.579 11.027 1.00 0.00 C ATOM 766 O ARG A 45 10.348 -5.053 10.732 1.00 0.00 O ATOM 767 CB ARG A 45 7.670 -5.651 12.980 1.00 0.00 C ATOM 768 CG ARG A 45 8.648 -5.891 14.115 1.00 0.00 C ATOM 769 CD ARG A 45 9.006 -4.584 14.795 1.00 0.00 C ATOM 770 NE ARG A 45 9.827 -4.765 15.993 1.00 0.00 N ATOM 771 CZ ARG A 45 10.038 -3.813 16.918 1.00 0.00 C ATOM 772 NH1 ARG A 45 9.388 -2.652 16.841 1.00 0.00 N ATOM 773 NH2 ARG A 45 10.863 -4.040 17.936 1.00 0.00 N ATOM 0 H ARG A 45 6.212 -4.722 11.260 1.00 0.00 H new ATOM 0 HA ARG A 45 8.725 -3.921 12.231 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.780 -5.167 13.382 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.355 -6.615 12.581 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.211 -6.577 14.840 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.550 -6.366 13.731 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.540 -3.948 14.089 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.090 -4.060 15.066 1.00 0.00 H new ATOM 0 HE ARG A 45 10.268 -5.674 16.135 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.730 -2.485 16.080 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.549 -1.930 17.543 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.338 -4.939 18.017 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.021 -3.315 18.636 1.00 0.00 H new ATOM 787 N GLY A 46 8.955 -6.800 10.642 1.00 0.00 N ATOM 788 CA GLY A 46 9.921 -7.630 9.949 1.00 0.00 C ATOM 789 C GLY A 46 9.642 -7.702 8.475 1.00 0.00 C ATOM 790 O GLY A 46 9.705 -8.770 7.872 1.00 0.00 O ATOM 0 H GLY A 46 8.046 -7.236 10.795 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.923 -7.232 10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.905 -8.635 10.371 1.00 0.00 H new ATOM 794 N MET A 47 9.326 -6.578 7.895 1.00 0.00 N ATOM 795 CA MET A 47 8.991 -6.518 6.491 1.00 0.00 C ATOM 796 C MET A 47 9.901 -5.508 5.812 1.00 0.00 C ATOM 797 O MET A 47 9.967 -4.351 6.252 1.00 0.00 O ATOM 798 CB MET A 47 7.534 -6.099 6.320 1.00 0.00 C ATOM 799 CG MET A 47 6.515 -7.033 6.969 1.00 0.00 C ATOM 800 SD MET A 47 6.367 -8.639 6.152 1.00 0.00 S ATOM 801 CE MET A 47 5.602 -8.152 4.603 1.00 0.00 C ATOM 0 H MET A 47 9.292 -5.679 8.375 1.00 0.00 H new ATOM 0 HA MET A 47 9.127 -7.501 6.039 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.407 -5.100 6.738 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.314 -6.029 5.255 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.794 -7.191 8.011 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.540 -6.546 6.970 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.187 -9.031 4.110 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.804 -7.436 4.801 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.350 -7.692 3.957 1.00 0.00 H new ATOM 811 N PRO A 48 10.617 -5.924 4.750 1.00 0.00 N ATOM 812 CA PRO A 48 11.565 -5.062 4.034 1.00 0.00 C ATOM 813 C PRO A 48 10.902 -3.816 3.439 1.00 0.00 C ATOM 814 O PRO A 48 10.205 -3.887 2.400 1.00 0.00 O ATOM 815 CB PRO A 48 12.139 -5.962 2.928 1.00 0.00 C ATOM 816 CG PRO A 48 11.164 -7.083 2.798 1.00 0.00 C ATOM 817 CD PRO A 48 10.560 -7.271 4.159 1.00 0.00 C ATOM 0 HA PRO A 48 12.330 -4.673 4.706 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.242 -5.417 1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.130 -6.330 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.397 -6.848 2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.660 -7.994 2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.536 -7.639 4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.122 -7.993 4.751 1.00 0.00 H new ATOM 825 N ASP A 49 11.052 -2.709 4.168 1.00 0.00 N ATOM 826 CA ASP A 49 10.544 -1.382 3.793 1.00 0.00 C ATOM 827 C ASP A 49 9.070 -1.377 3.454 1.00 0.00 C ATOM 828 O ASP A 49 8.627 -0.659 2.552 1.00 0.00 O ATOM 829 CB ASP A 49 11.380 -0.716 2.688 1.00 0.00 C ATOM 830 CG ASP A 49 12.713 -0.215 3.186 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.756 0.816 3.905 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.747 -0.825 2.877 1.00 0.00 O ATOM 0 H ASP A 49 11.544 -2.707 5.062 1.00 0.00 H new ATOM 0 HA ASP A 49 10.655 -0.773 4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.544 -1.431 1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.818 0.117 2.266 1.00 0.00 H new ATOM 837 N CYS A 50 8.299 -2.132 4.203 1.00 0.00 N ATOM 838 CA CYS A 50 6.883 -2.170 3.977 1.00 0.00 C ATOM 839 C CYS A 50 6.196 -1.272 4.994 1.00 0.00 C ATOM 840 O CYS A 50 6.603 -1.217 6.159 1.00 0.00 O ATOM 841 CB CYS A 50 6.376 -3.600 4.092 1.00 0.00 C ATOM 842 SG CYS A 50 7.253 -4.782 3.034 1.00 0.00 S ATOM 0 H CYS A 50 8.630 -2.722 4.967 1.00 0.00 H new ATOM 0 HA CYS A 50 6.658 -1.811 2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.463 -3.923 5.129 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.316 -3.620 3.840 1.00 0.00 H new ATOM 0 HG CYS A 50 8.459 -4.352 2.810 1.00 0.00 H new ATOM 848 N TYR A 51 5.180 -0.582 4.556 1.00 0.00 N ATOM 849 CA TYR A 51 4.450 0.357 5.368 1.00 0.00 C ATOM 850 C TYR A 51 2.974 0.090 5.209 1.00 0.00 C ATOM 851 O TYR A 51 2.542 -0.505 4.209 1.00 0.00 O ATOM 852 CB TYR A 51 4.743 1.815 4.941 1.00 0.00 C ATOM 853 CG TYR A 51 6.195 2.249 5.038 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.127 1.853 4.097 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.624 3.060 6.069 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.440 2.243 4.188 1.00 0.00 C ATOM 857 CE2 TYR A 51 7.943 3.456 6.157 1.00 0.00 C ATOM 858 CZ TYR A 51 8.842 3.041 5.212 1.00 0.00 C ATOM 859 OH TYR A 51 10.171 3.418 5.310 1.00 0.00 O ATOM 0 H TYR A 51 4.827 -0.657 3.602 1.00 0.00 H new ATOM 0 HA TYR A 51 4.760 0.233 6.406 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.411 1.946 3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.141 2.483 5.557 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.816 1.225 3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.918 3.389 6.817 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.153 1.916 3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.265 4.091 6.969 1.00 0.00 H new ATOM 0 HH TYR A 51 10.292 3.989 6.097 1.00 0.00 H new ATOM 869 N LYS A 52 2.216 0.513 6.164 1.00 0.00 N ATOM 870 CA LYS A 52 0.794 0.329 6.159 1.00 0.00 C ATOM 871 C LYS A 52 0.101 1.662 6.375 1.00 0.00 C ATOM 872 O LYS A 52 0.605 2.530 7.099 1.00 0.00 O ATOM 873 CB LYS A 52 0.396 -0.638 7.282 1.00 0.00 C ATOM 874 CG LYS A 52 0.895 -0.169 8.636 1.00 0.00 C ATOM 875 CD LYS A 52 0.513 -1.071 9.779 1.00 0.00 C ATOM 876 CE LYS A 52 1.247 -0.620 11.019 1.00 0.00 C ATOM 877 NZ LYS A 52 0.851 -1.353 12.225 1.00 0.00 N ATOM 0 H LYS A 52 2.567 1.005 6.986 1.00 0.00 H new ATOM 0 HA LYS A 52 0.492 -0.084 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.689 -0.736 7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.800 -1.628 7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.981 -0.085 8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.504 0.830 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.564 -1.036 9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.766 -2.105 9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.319 -0.742 10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.067 0.444 11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.390 -0.997 13.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.166 -1.217 12.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.048 -2.366 12.096 1.00 0.00 H new ATOM 891 N ILE A 53 -1.010 1.833 5.735 1.00 0.00 N ATOM 892 CA ILE A 53 -1.848 2.978 5.957 1.00 0.00 C ATOM 893 C ILE A 53 -3.235 2.478 6.254 1.00 0.00 C ATOM 894 O ILE A 53 -3.752 1.615 5.530 1.00 0.00 O ATOM 895 CB ILE A 53 -1.909 3.958 4.732 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.537 4.589 4.450 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.960 5.056 4.959 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.530 5.542 3.269 1.00 0.00 C ATOM 0 H ILE A 53 -1.369 1.181 5.038 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.424 3.546 6.785 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.199 3.371 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.205 5.125 5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.187 3.795 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.983 5.722 4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.941 4.599 5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.703 5.627 5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.473 5.946 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.830 5.007 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.228 6.358 3.456 1.00 0.00 H new ATOM 910 N LYS A 54 -3.821 2.942 7.316 1.00 0.00 N ATOM 911 CA LYS A 54 -5.180 2.588 7.572 1.00 0.00 C ATOM 912 C LYS A 54 -6.053 3.782 7.281 1.00 0.00 C ATOM 913 O LYS A 54 -5.663 4.933 7.554 1.00 0.00 O ATOM 914 CB LYS A 54 -5.454 1.986 8.983 1.00 0.00 C ATOM 915 CG LYS A 54 -5.506 2.960 10.143 1.00 0.00 C ATOM 916 CD LYS A 54 -4.178 3.595 10.436 1.00 0.00 C ATOM 917 CE LYS A 54 -4.331 4.645 11.487 1.00 0.00 C ATOM 918 NZ LYS A 54 -4.847 4.090 12.754 1.00 0.00 N ATOM 0 H LYS A 54 -3.388 3.555 8.007 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.428 1.765 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.403 1.451 8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.680 1.248 9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.235 3.740 9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.857 2.438 11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.469 2.837 10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.769 4.036 9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.367 5.121 11.666 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.008 5.420 11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.717 4.785 13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.859 3.874 12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.329 3.219 12.988 1.00 0.00 H new ATOM 932 N LEU A 55 -7.174 3.539 6.694 1.00 0.00 N ATOM 933 CA LEU A 55 -8.092 4.584 6.352 1.00 0.00 C ATOM 934 C LEU A 55 -8.800 4.967 7.644 1.00 0.00 C ATOM 935 O LEU A 55 -9.074 4.097 8.459 1.00 0.00 O ATOM 936 CB LEU A 55 -9.105 4.027 5.333 1.00 0.00 C ATOM 937 CG LEU A 55 -9.669 4.984 4.266 1.00 0.00 C ATOM 938 CD1 LEU A 55 -10.668 4.258 3.395 1.00 0.00 C ATOM 939 CD2 LEU A 55 -10.309 6.206 4.871 1.00 0.00 C ATOM 0 H LEU A 55 -7.487 2.604 6.433 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.596 5.449 5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.631 3.193 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.947 3.618 5.891 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.828 5.323 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.061 4.943 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.178 3.419 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.487 3.887 4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.690 6.848 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.131 5.903 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.569 6.753 5.455 1.00 0.00 H new ATOM 951 N ARG A 56 -9.021 6.249 7.869 1.00 0.00 N ATOM 952 CA ARG A 56 -9.744 6.676 9.053 1.00 0.00 C ATOM 953 C ARG A 56 -11.187 6.189 8.969 1.00 0.00 C ATOM 954 O ARG A 56 -11.714 5.596 9.905 1.00 0.00 O ATOM 955 CB ARG A 56 -9.694 8.196 9.200 1.00 0.00 C ATOM 956 CG ARG A 56 -10.480 8.728 10.382 1.00 0.00 C ATOM 957 CD ARG A 56 -10.381 10.233 10.468 1.00 0.00 C ATOM 958 NE ARG A 56 -11.230 10.776 11.533 1.00 0.00 N ATOM 959 CZ ARG A 56 -11.078 11.981 12.095 1.00 0.00 C ATOM 960 NH1 ARG A 56 -9.986 12.704 11.852 1.00 0.00 N ATOM 961 NH2 ARG A 56 -11.984 12.430 12.943 1.00 0.00 N ATOM 0 H ARG A 56 -8.715 7.005 7.256 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.272 6.242 9.934 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.654 8.507 9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.078 8.652 8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.525 8.434 10.289 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.104 8.282 11.303 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.345 10.519 10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.671 10.671 9.513 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.994 10.191 11.871 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.260 12.340 11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.876 13.622 12.283 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.798 11.859 13.169 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.870 13.348 13.372 1.00 0.00 H new ATOM 975 N SER A 57 -11.801 6.427 7.842 1.00 0.00 N ATOM 976 CA SER A 57 -13.144 6.002 7.595 1.00 0.00 C ATOM 977 C SER A 57 -13.152 4.481 7.327 1.00 0.00 C ATOM 978 O SER A 57 -12.433 4.001 6.440 1.00 0.00 O ATOM 979 CB SER A 57 -13.665 6.775 6.387 1.00 0.00 C ATOM 980 OG SER A 57 -13.361 8.168 6.533 1.00 0.00 O ATOM 0 H SER A 57 -11.374 6.928 7.063 1.00 0.00 H new ATOM 0 HA SER A 57 -13.786 6.198 8.454 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.212 6.389 5.474 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.742 6.637 6.292 1.00 0.00 H new ATOM 0 HG SER A 57 -13.696 8.659 5.754 1.00 0.00 H new ATOM 986 N SER A 58 -13.945 3.743 8.120 1.00 0.00 N ATOM 987 CA SER A 58 -14.067 2.290 8.029 1.00 0.00 C ATOM 988 C SER A 58 -12.768 1.577 8.496 1.00 0.00 C ATOM 989 O SER A 58 -11.853 2.221 9.023 1.00 0.00 O ATOM 990 CB SER A 58 -14.496 1.885 6.613 1.00 0.00 C ATOM 991 OG SER A 58 -15.724 2.528 6.264 1.00 0.00 O ATOM 0 H SER A 58 -14.526 4.151 8.852 1.00 0.00 H new ATOM 0 HA SER A 58 -14.848 1.958 8.713 1.00 0.00 H new ATOM 0 HB2 SER A 58 -13.719 2.157 5.898 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.615 0.803 6.557 1.00 0.00 H new ATOM 0 HG SER A 58 -15.986 2.263 5.358 1.00 0.00 H new ATOM 997 N GLY A 59 -12.701 0.267 8.343 1.00 0.00 N ATOM 998 CA GLY A 59 -11.544 -0.468 8.799 1.00 0.00 C ATOM 999 C GLY A 59 -10.706 -0.988 7.659 1.00 0.00 C ATOM 1000 O GLY A 59 -10.237 -2.132 7.693 1.00 0.00 O ATOM 0 H GLY A 59 -13.429 -0.302 7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.933 0.177 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.869 -1.304 9.418 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.515 -0.164 6.658 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.735 -0.542 5.496 1.00 0.00 C ATOM 1006 C TYR A 60 -8.279 -0.166 5.668 1.00 0.00 C ATOM 1007 O TYR A 60 -7.955 0.919 6.161 1.00 0.00 O ATOM 1008 CB TYR A 60 -10.309 0.050 4.211 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.604 -0.600 3.765 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.822 -0.214 4.296 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.600 -1.602 2.802 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -14.000 -0.803 3.885 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.773 -2.195 2.385 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.969 -1.791 2.929 1.00 0.00 C ATOM 1015 OH TYR A 60 -15.138 -2.383 2.516 1.00 0.00 O ATOM 0 H TYR A 60 -10.892 0.783 6.622 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.793 -1.627 5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.480 1.116 4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.571 -0.048 3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.851 0.563 5.046 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.662 -1.922 2.373 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.941 -0.490 4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.752 -2.972 1.635 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.939 -3.060 1.836 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.411 -1.073 5.283 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.984 -0.917 5.445 1.00 0.00 C ATOM 1027 C ARG A 61 -5.275 -1.303 4.158 1.00 0.00 C ATOM 1028 O ARG A 61 -5.675 -2.255 3.476 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.513 -1.800 6.601 1.00 0.00 C ATOM 1030 CG ARG A 61 -6.221 -1.474 7.902 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.032 -2.536 8.940 1.00 0.00 C ATOM 1032 NE ARG A 61 -4.654 -2.629 9.454 1.00 0.00 N ATOM 1033 CZ ARG A 61 -4.324 -2.711 10.762 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -5.257 -2.586 11.697 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -3.052 -2.884 11.113 1.00 0.00 N ATOM 0 H ARG A 61 -7.680 -1.952 4.842 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.748 0.123 5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.685 -2.846 6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.438 -1.677 6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.848 -0.525 8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.286 -1.344 7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.708 -2.341 9.773 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.317 -3.499 8.517 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.894 -2.632 8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.229 -2.427 11.430 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.003 -2.649 12.683 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.330 -2.954 10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.799 -2.946 12.099 1.00 0.00 H new ATOM 1049 N LEU A 62 -4.248 -0.574 3.839 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.480 -0.778 2.633 1.00 0.00 C ATOM 1051 C LEU A 62 -2.016 -0.995 3.022 1.00 0.00 C ATOM 1052 O LEU A 62 -1.510 -0.321 3.928 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.681 0.465 1.717 1.00 0.00 C ATOM 1054 CG LEU A 62 -3.042 0.476 0.309 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.710 1.534 -0.547 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.561 0.788 0.380 1.00 0.00 C ATOM 0 H LEU A 62 -3.909 0.195 4.416 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.807 -1.659 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.754 0.610 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.303 1.334 2.256 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.178 -0.515 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.257 1.539 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.774 1.313 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.580 2.512 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.141 0.788 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.417 1.769 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.058 0.032 0.983 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.357 -1.945 2.375 1.00 0.00 N ATOM 1069 CA VAL A 63 0.041 -2.252 2.662 1.00 0.00 C ATOM 1070 C VAL A 63 0.871 -2.137 1.386 1.00 0.00 C ATOM 1071 O VAL A 63 0.518 -2.714 0.337 1.00 0.00 O ATOM 1072 CB VAL A 63 0.210 -3.677 3.266 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.671 -3.966 3.613 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.659 -3.842 4.498 1.00 0.00 C ATOM 0 H VAL A 63 -1.770 -2.522 1.642 1.00 0.00 H new ATOM 0 HA VAL A 63 0.391 -1.531 3.400 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.108 -4.394 2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.754 -4.969 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.279 -3.898 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.023 -3.237 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.527 -4.844 4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.371 -3.105 5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.705 -3.695 4.228 1.00 0.00 H new ATOM 1084 N TYR A 64 1.954 -1.407 1.470 1.00 0.00 N ATOM 1085 CA TYR A 64 2.825 -1.175 0.341 1.00 0.00 C ATOM 1086 C TYR A 64 4.265 -1.253 0.772 1.00 0.00 C ATOM 1087 O TYR A 64 4.558 -1.136 1.951 1.00 0.00 O ATOM 1088 CB TYR A 64 2.545 0.193 -0.317 1.00 0.00 C ATOM 1089 CG TYR A 64 2.696 1.415 0.586 1.00 0.00 C ATOM 1090 CD1 TYR A 64 3.947 1.900 0.962 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.587 2.087 1.036 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.069 3.011 1.761 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.699 3.196 1.831 1.00 0.00 C ATOM 1094 CZ TYR A 64 2.942 3.657 2.193 1.00 0.00 C ATOM 1095 OH TYR A 64 3.053 4.764 2.995 1.00 0.00 O ATOM 0 H TYR A 64 2.260 -0.952 2.330 1.00 0.00 H new ATOM 0 HA TYR A 64 2.626 -1.951 -0.398 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.217 0.309 -1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.530 0.182 -0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.837 1.393 0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.605 1.733 0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.046 3.372 2.046 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.812 3.708 2.173 1.00 0.00 H new ATOM 0 HH TYR A 64 3.888 5.234 2.790 1.00 0.00 H new ATOM 1105 N GLN A 65 5.147 -1.479 -0.150 1.00 0.00 N ATOM 1106 CA GLN A 65 6.548 -1.448 0.157 1.00 0.00 C ATOM 1107 C GLN A 65 7.215 -0.385 -0.673 1.00 0.00 C ATOM 1108 O GLN A 65 6.889 -0.212 -1.861 1.00 0.00 O ATOM 1109 CB GLN A 65 7.226 -2.812 -0.021 1.00 0.00 C ATOM 1110 CG GLN A 65 7.236 -3.364 -1.444 1.00 0.00 C ATOM 1111 CD GLN A 65 7.979 -4.691 -1.562 1.00 0.00 C ATOM 1112 OE1 GLN A 65 8.993 -4.896 -0.735 1.00 0.00 O flip ATOM 1113 NE2 GLN A 65 7.651 -5.524 -2.404 1.00 0.00 N flip ATOM 0 H GLN A 65 4.925 -1.687 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 65 6.657 -1.203 1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.256 -2.733 0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.726 -3.533 0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.209 -3.497 -1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.699 -2.634 -2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.865 -5.337 -3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.164 -6.402 -2.480 1.00 0.00 H new ATOM 1122 N VAL A 66 8.101 0.355 -0.071 1.00 0.00 N ATOM 1123 CA VAL A 66 8.780 1.382 -0.793 1.00 0.00 C ATOM 1124 C VAL A 66 10.103 0.840 -1.279 1.00 0.00 C ATOM 1125 O VAL A 66 10.919 0.319 -0.505 1.00 0.00 O ATOM 1126 CB VAL A 66 8.964 2.724 0.018 1.00 0.00 C ATOM 1127 CG1 VAL A 66 7.647 3.200 0.600 1.00 0.00 C ATOM 1128 CG2 VAL A 66 10.022 2.630 1.103 1.00 0.00 C ATOM 0 H VAL A 66 8.366 0.265 0.910 1.00 0.00 H new ATOM 0 HA VAL A 66 8.152 1.659 -1.640 1.00 0.00 H new ATOM 0 HB VAL A 66 9.319 3.461 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.807 4.126 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.936 3.377 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.251 2.440 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.097 3.586 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.745 1.852 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.984 2.384 0.653 1.00 0.00 H new ATOM 1138 N ILE A 67 10.290 0.863 -2.547 1.00 0.00 N ATOM 1139 CA ILE A 67 11.510 0.415 -3.094 1.00 0.00 C ATOM 1140 C ILE A 67 12.338 1.640 -3.375 1.00 0.00 C ATOM 1141 O ILE A 67 12.173 2.282 -4.408 1.00 0.00 O ATOM 1142 CB ILE A 67 11.307 -0.385 -4.401 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.215 -1.444 -4.219 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.619 -1.056 -4.791 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.857 -2.173 -5.492 1.00 0.00 C ATOM 0 H ILE A 67 9.605 1.191 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 67 11.999 -0.257 -2.389 1.00 0.00 H new ATOM 0 HB ILE A 67 10.996 0.299 -5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.546 -2.170 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.320 -0.966 -3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.479 -1.621 -5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.385 -0.296 -4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.933 -1.732 -3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.078 -2.906 -5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.495 -1.458 -6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.739 -2.681 -5.881 1.00 0.00 H new ATOM 1157 N ASP A 68 13.198 1.979 -2.446 1.00 0.00 N ATOM 1158 CA ASP A 68 14.049 3.171 -2.543 1.00 0.00 C ATOM 1159 C ASP A 68 15.057 2.969 -3.653 1.00 0.00 C ATOM 1160 O ASP A 68 15.461 3.906 -4.335 1.00 0.00 O ATOM 1161 CB ASP A 68 14.756 3.418 -1.205 1.00 0.00 C ATOM 1162 CG ASP A 68 15.489 4.743 -1.140 1.00 0.00 C ATOM 1163 OD1 ASP A 68 16.684 4.806 -1.488 1.00 0.00 O ATOM 1164 OD2 ASP A 68 14.892 5.739 -0.688 1.00 0.00 O ATOM 0 H ASP A 68 13.339 1.442 -1.591 1.00 0.00 H new ATOM 0 HA ASP A 68 13.439 4.045 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.019 3.380 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.466 2.611 -1.024 1.00 0.00 H new ATOM 1169 N GLU A 69 15.382 1.701 -3.868 1.00 0.00 N ATOM 1170 CA GLU A 69 16.294 1.253 -4.917 1.00 0.00 C ATOM 1171 C GLU A 69 15.775 1.701 -6.288 1.00 0.00 C ATOM 1172 O GLU A 69 16.535 2.089 -7.166 1.00 0.00 O ATOM 1173 CB GLU A 69 16.337 -0.276 -4.920 1.00 0.00 C ATOM 1174 CG GLU A 69 16.579 -0.914 -3.563 1.00 0.00 C ATOM 1175 CD GLU A 69 16.468 -2.410 -3.623 1.00 0.00 C ATOM 1176 OE1 GLU A 69 15.336 -2.927 -3.715 1.00 0.00 O ATOM 1177 OE2 GLU A 69 17.495 -3.101 -3.605 1.00 0.00 O ATOM 0 H GLU A 69 15.011 0.936 -3.305 1.00 0.00 H new ATOM 0 HA GLU A 69 17.281 1.676 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.394 -0.650 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.122 -0.601 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.570 -0.637 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.858 -0.524 -2.844 1.00 0.00 H new ATOM 1184 N LYS A 70 14.466 1.635 -6.452 1.00 0.00 N ATOM 1185 CA LYS A 70 13.831 1.957 -7.713 1.00 0.00 C ATOM 1186 C LYS A 70 13.078 3.292 -7.642 1.00 0.00 C ATOM 1187 O LYS A 70 12.543 3.763 -8.647 1.00 0.00 O ATOM 1188 CB LYS A 70 12.871 0.839 -8.108 1.00 0.00 C ATOM 1189 CG LYS A 70 13.516 -0.519 -8.323 1.00 0.00 C ATOM 1190 CD LYS A 70 12.456 -1.570 -8.618 1.00 0.00 C ATOM 1191 CE LYS A 70 13.055 -2.954 -8.774 1.00 0.00 C ATOM 1192 NZ LYS A 70 12.017 -3.974 -9.034 1.00 0.00 N ATOM 0 H LYS A 70 13.817 1.357 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 70 14.612 2.055 -8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.110 0.744 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.358 1.129 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.224 -0.465 -9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.083 -0.804 -7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.723 -1.581 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.923 -1.301 -9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.773 -2.949 -9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.605 -3.217 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.465 -4.907 -9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.346 -3.996 -8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.509 -3.737 -9.910 1.00 0.00 H new ATOM 1206 N VAL A 71 13.048 3.890 -6.446 1.00 0.00 N ATOM 1207 CA VAL A 71 12.336 5.161 -6.167 1.00 0.00 C ATOM 1208 C VAL A 71 10.798 4.978 -6.422 1.00 0.00 C ATOM 1209 O VAL A 71 10.066 5.914 -6.708 1.00 0.00 O ATOM 1210 CB VAL A 71 12.936 6.368 -7.011 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.369 7.725 -6.571 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.458 6.398 -6.914 1.00 0.00 C ATOM 0 H VAL A 71 13.521 3.507 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 71 12.482 5.416 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 71 12.641 6.198 -8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.809 8.517 -7.177 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.287 7.727 -6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.608 7.896 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.844 7.232 -7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.754 6.519 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.866 5.464 -7.301 1.00 0.00 H new ATOM 1222 N VAL A 72 10.311 3.770 -6.231 1.00 0.00 N ATOM 1223 CA VAL A 72 8.908 3.477 -6.480 1.00 0.00 C ATOM 1224 C VAL A 72 8.284 2.727 -5.307 1.00 0.00 C ATOM 1225 O VAL A 72 8.922 1.897 -4.670 1.00 0.00 O ATOM 1226 CB VAL A 72 8.699 2.695 -7.828 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.465 1.398 -7.841 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.220 2.445 -8.126 1.00 0.00 C ATOM 0 H VAL A 72 10.861 2.975 -5.905 1.00 0.00 H new ATOM 0 HA VAL A 72 8.395 4.433 -6.580 1.00 0.00 H new ATOM 0 HB VAL A 72 9.093 3.333 -8.619 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.296 0.885 -8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.529 1.603 -7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.125 0.766 -7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.125 1.902 -9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.781 1.856 -7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.698 3.399 -8.203 1.00 0.00 H new ATOM 1238 N VAL A 73 7.072 3.068 -5.012 1.00 0.00 N ATOM 1239 CA VAL A 73 6.300 2.466 -3.970 1.00 0.00 C ATOM 1240 C VAL A 73 5.305 1.493 -4.601 1.00 0.00 C ATOM 1241 O VAL A 73 4.496 1.890 -5.437 1.00 0.00 O ATOM 1242 CB VAL A 73 5.518 3.559 -3.196 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.681 2.965 -2.094 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.457 4.624 -2.648 1.00 0.00 C ATOM 0 H VAL A 73 6.571 3.804 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 73 6.961 1.941 -3.280 1.00 0.00 H new ATOM 0 HB VAL A 73 4.842 4.037 -3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.147 3.760 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.963 2.264 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.326 2.440 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.880 5.376 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.174 4.163 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.991 5.097 -3.472 1.00 0.00 H new ATOM 1254 N PHE A 74 5.379 0.245 -4.226 1.00 0.00 N ATOM 1255 CA PHE A 74 4.477 -0.763 -4.748 1.00 0.00 C ATOM 1256 C PHE A 74 3.477 -1.196 -3.721 1.00 0.00 C ATOM 1257 O PHE A 74 3.851 -1.678 -2.646 1.00 0.00 O ATOM 1258 CB PHE A 74 5.220 -1.993 -5.271 1.00 0.00 C ATOM 1259 CG PHE A 74 5.633 -1.910 -6.705 1.00 0.00 C ATOM 1260 CD1 PHE A 74 6.823 -1.327 -7.073 1.00 0.00 C ATOM 1261 CD2 PHE A 74 4.815 -2.437 -7.690 1.00 0.00 C ATOM 1262 CE1 PHE A 74 7.196 -1.269 -8.400 1.00 0.00 C ATOM 1263 CE2 PHE A 74 5.183 -2.382 -9.014 1.00 0.00 C ATOM 1264 CZ PHE A 74 6.375 -1.797 -9.370 1.00 0.00 C ATOM 0 H PHE A 74 6.060 -0.108 -3.554 1.00 0.00 H new ATOM 0 HA PHE A 74 3.956 -0.292 -5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.108 -2.151 -4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.583 -2.868 -5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.471 -0.911 -6.316 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.877 -2.897 -7.415 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.133 -0.809 -8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.537 -2.798 -9.773 1.00 0.00 H new ATOM 0 HZ PHE A 74 6.667 -1.752 -10.409 1.00 0.00 H new ATOM 1274 N VAL A 75 2.218 -1.012 -4.035 1.00 0.00 N ATOM 1275 CA VAL A 75 1.146 -1.491 -3.194 1.00 0.00 C ATOM 1276 C VAL A 75 1.046 -3.001 -3.372 1.00 0.00 C ATOM 1277 O VAL A 75 0.914 -3.492 -4.505 1.00 0.00 O ATOM 1278 CB VAL A 75 -0.208 -0.810 -3.535 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.336 -1.344 -2.654 1.00 0.00 C ATOM 1280 CG2 VAL A 75 -0.093 0.701 -3.394 1.00 0.00 C ATOM 0 H VAL A 75 1.907 -0.528 -4.877 1.00 0.00 H new ATOM 0 HA VAL A 75 1.366 -1.241 -2.156 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.451 -1.049 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.270 -0.847 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.440 -2.418 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.104 -1.148 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.050 1.163 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.181 0.951 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.672 1.073 -4.075 1.00 0.00 H new ATOM 1290 N ILE A 76 1.139 -3.722 -2.275 1.00 0.00 N ATOM 1291 CA ILE A 76 1.174 -5.169 -2.318 1.00 0.00 C ATOM 1292 C ILE A 76 -0.224 -5.750 -2.148 1.00 0.00 C ATOM 1293 O ILE A 76 -0.611 -6.682 -2.858 1.00 0.00 O ATOM 1294 CB ILE A 76 2.089 -5.736 -1.193 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.492 -5.111 -1.259 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.183 -7.255 -1.298 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.413 -5.556 -0.132 1.00 0.00 C ATOM 0 H ILE A 76 1.192 -3.327 -1.336 1.00 0.00 H new ATOM 0 HA ILE A 76 1.573 -5.455 -3.291 1.00 0.00 H new ATOM 0 HB ILE A 76 1.644 -5.477 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.950 -5.368 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.398 -4.025 -1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.826 -7.635 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.188 -7.689 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.602 -7.528 -2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.384 -5.075 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.977 -5.275 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.538 -6.638 -0.170 1.00 0.00 H new ATOM 1309 N SER A 77 -0.977 -5.185 -1.230 1.00 0.00 N ATOM 1310 CA SER A 77 -2.294 -5.668 -0.931 1.00 0.00 C ATOM 1311 C SER A 77 -3.095 -4.521 -0.338 1.00 0.00 C ATOM 1312 O SER A 77 -2.516 -3.600 0.279 1.00 0.00 O ATOM 1313 CB SER A 77 -2.203 -6.853 0.063 1.00 0.00 C ATOM 1314 OG SER A 77 -3.466 -7.469 0.286 1.00 0.00 O ATOM 0 H SER A 77 -0.688 -4.380 -0.674 1.00 0.00 H new ATOM 0 HA SER A 77 -2.788 -6.027 -1.834 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.503 -7.594 -0.322 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.802 -6.498 1.012 1.00 0.00 H new ATOM 0 HG SER A 77 -4.132 -7.077 -0.316 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.387 -4.548 -0.540 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.254 -3.512 -0.059 1.00 0.00 C ATOM 1322 C VAL A 78 -6.639 -4.078 0.266 1.00 0.00 C ATOM 1323 O VAL A 78 -7.203 -4.868 -0.497 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.343 -2.322 -1.081 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.782 -2.780 -2.461 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.255 -1.221 -0.575 1.00 0.00 C ATOM 0 H VAL A 78 -4.866 -5.294 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.829 -3.113 0.862 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.334 -1.919 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.828 -1.922 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.066 -3.505 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.767 -3.242 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.293 -0.414 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.258 -1.620 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.871 -0.836 0.370 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.158 -3.729 1.413 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.464 -4.162 1.755 1.00 0.00 C ATOM 1338 C GLY A 79 -8.685 -4.033 3.206 1.00 0.00 C ATOM 1339 O GLY A 79 -8.711 -2.931 3.738 1.00 0.00 O ATOM 0 H GLY A 79 -6.693 -3.151 2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.203 -3.571 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.601 -5.200 1.451 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.796 -5.127 3.870 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.026 -5.114 5.282 1.00 0.00 C ATOM 1345 C LYS A 80 -8.090 -6.072 5.946 1.00 0.00 C ATOM 1346 O LYS A 80 -7.579 -7.006 5.311 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.455 -5.531 5.608 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.551 -4.627 5.060 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.923 -5.159 5.437 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.220 -6.494 4.764 1.00 0.00 C ATOM 1351 NZ LYS A 80 -14.430 -7.121 5.309 1.00 0.00 N ATOM 0 H LYS A 80 -8.731 -6.058 3.458 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.860 -4.099 5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.616 -6.539 5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.560 -5.582 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.427 -3.617 5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.466 -4.561 3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.982 -5.277 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.684 -4.432 5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.341 -6.342 3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.371 -7.165 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.599 -8.027 4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.305 -7.289 6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.244 -6.492 5.160 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.861 -5.869 7.199 1.00 0.00 N ATOM 1366 CA ALA A 81 -7.077 -6.778 7.935 1.00 0.00 C ATOM 1367 C ALA A 81 -8.001 -7.826 8.503 1.00 0.00 C ATOM 1368 O ALA A 81 -8.093 -8.913 7.938 1.00 0.00 O ATOM 1369 CB ALA A 81 -6.269 -6.074 9.015 1.00 0.00 C ATOM 0 H ALA A 81 -8.212 -5.073 7.731 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.342 -7.254 7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.676 -6.807 9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.605 -5.342 8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.945 -5.567 9.703 1.00 0.00 H new ATOM 1426 N VAL A 86 -4.476 -8.737 4.768 1.00 0.00 N ATOM 1427 CA VAL A 86 -3.569 -7.948 3.907 1.00 0.00 C ATOM 1428 C VAL A 86 -2.083 -8.119 4.281 1.00 0.00 C ATOM 1429 O VAL A 86 -1.201 -7.977 3.441 1.00 0.00 O ATOM 1430 CB VAL A 86 -3.939 -6.435 3.854 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -5.264 -6.235 3.149 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -3.997 -5.825 5.250 1.00 0.00 C ATOM 0 HA VAL A 86 -3.712 -8.360 2.908 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.155 -5.926 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.505 -5.172 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.196 -6.617 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.046 -6.771 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.258 -4.769 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.751 -6.344 5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.024 -5.925 5.732 1.00 0.00 H new ATOM 1442 N TYR A 87 -1.817 -8.475 5.524 1.00 0.00 N ATOM 1443 CA TYR A 87 -0.450 -8.650 5.975 1.00 0.00 C ATOM 1444 C TYR A 87 0.026 -10.044 5.633 1.00 0.00 C ATOM 1445 O TYR A 87 1.217 -10.266 5.391 1.00 0.00 O ATOM 1446 CB TYR A 87 -0.317 -8.342 7.470 1.00 0.00 C ATOM 1447 CG TYR A 87 -0.747 -6.933 7.798 1.00 0.00 C ATOM 1448 CD1 TYR A 87 0.117 -5.871 7.612 1.00 0.00 C ATOM 1449 CD2 TYR A 87 -2.032 -6.662 8.249 1.00 0.00 C ATOM 1450 CE1 TYR A 87 -0.285 -4.580 7.856 1.00 0.00 C ATOM 1451 CE2 TYR A 87 -2.435 -5.369 8.505 1.00 0.00 C ATOM 1452 CZ TYR A 87 -1.556 -4.334 8.302 1.00 0.00 C ATOM 1453 OH TYR A 87 -1.965 -3.031 8.512 1.00 0.00 O ATOM 0 H TYR A 87 -2.526 -8.648 6.236 1.00 0.00 H new ATOM 0 HA TYR A 87 0.192 -7.939 5.455 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.921 -9.047 8.041 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.718 -8.486 7.779 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.124 -6.059 7.270 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.725 -7.476 8.401 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.400 -3.761 7.696 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.435 -5.171 8.863 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.314 -2.659 7.675 1.00 0.00 H new ATOM 1463 N SER A 88 -0.912 -10.970 5.574 1.00 0.00 N ATOM 1464 CA SER A 88 -0.639 -12.314 5.148 1.00 0.00 C ATOM 1465 C SER A 88 -0.327 -12.301 3.651 1.00 0.00 C ATOM 1466 O SER A 88 0.650 -12.890 3.211 1.00 0.00 O ATOM 1467 CB SER A 88 -1.845 -13.202 5.446 1.00 0.00 C ATOM 1468 OG SER A 88 -2.180 -13.150 6.830 1.00 0.00 O ATOM 0 H SER A 88 -1.887 -10.802 5.823 1.00 0.00 H new ATOM 0 HA SER A 88 0.219 -12.715 5.687 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.697 -12.879 4.848 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.626 -14.230 5.158 1.00 0.00 H new ATOM 0 HG SER A 88 -2.956 -13.724 7.001 1.00 0.00 H new ATOM 1474 N GLU A 89 -1.126 -11.547 2.894 1.00 0.00 N ATOM 1475 CA GLU A 89 -0.937 -11.408 1.449 1.00 0.00 C ATOM 1476 C GLU A 89 0.431 -10.790 1.160 1.00 0.00 C ATOM 1477 O GLU A 89 1.112 -11.160 0.192 1.00 0.00 O ATOM 1478 CB GLU A 89 -2.028 -10.516 0.851 1.00 0.00 C ATOM 1479 CG GLU A 89 -3.452 -10.975 1.132 1.00 0.00 C ATOM 1480 CD GLU A 89 -3.742 -12.344 0.599 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -4.025 -12.466 -0.592 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -3.709 -13.320 1.370 1.00 0.00 O ATOM 0 H GLU A 89 -1.917 -11.019 3.262 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.996 -12.398 0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.904 -9.505 1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.884 -10.464 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.625 -10.966 2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.151 -10.264 0.691 1.00 0.00 H new ATOM 1489 N ALA A 90 0.829 -9.865 2.022 1.00 0.00 N ATOM 1490 CA ALA A 90 2.101 -9.194 1.907 1.00 0.00 C ATOM 1491 C ALA A 90 3.262 -10.142 2.201 1.00 0.00 C ATOM 1492 O ALA A 90 4.199 -10.243 1.409 1.00 0.00 O ATOM 1493 CB ALA A 90 2.150 -7.976 2.816 1.00 0.00 C ATOM 0 H ALA A 90 0.271 -9.563 2.821 1.00 0.00 H new ATOM 0 HA ALA A 90 2.207 -8.857 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.118 -7.485 2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.359 -7.281 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.009 -8.288 3.851 1.00 0.00 H new