USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 818 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 Single : A 6 THR OG1 : rot -170:sc= 0.0996 USER MOD Single : A 8 TYR OH : rot 30:sc= -0.71 USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0161) USER MOD Single : A 21 SER OG : rot -57:sc= 0.976 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 27 SER OG : rot 83:sc= 0.362 USER MOD Single : A 29 CYS SG : rot 32:sc=7.23e-05 USER MOD Single : A 31 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-4.2!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 158:sc= 1.21 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -109:sc= -0.461 (180deg=-2.98!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 85:sc= 0.769 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -149:sc= 0.101 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.314 USER MOD Single : A 76 GLN : amide:sc= -0.873 K(o=-0.87,f=-2.2!) USER MOD Single : A 78 MET CE :methyl -150:sc= -2.27 (180deg=-4.02!) USER MOD Single : A 79 LYS NZ :NH3+ -155:sc= -0.071 (180deg=-0.455) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00416 USER MOD Single : A 91 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.13) USER MOD Single : A 93 LYS NZ :NH3+ 144:sc= 0.374 (180deg=0.0112) USER MOD Single : A 95 GLN : amide:sc= -0.987 K(o=-0.99,f=-2.2) USER MOD Single : A 96 THR OG1 : rot -80:sc= 1.2 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -4 SER OG : rot 180:sc= 0 USER MOD Single : B -7 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 4.532 -5.191 -5.703 1.00 74.15 N ATOM 43 CA LEU A 2 5.770 -5.196 -6.474 1.00 62.31 C ATOM 44 C LEU A 2 6.328 -6.611 -6.600 1.00 14.43 C ATOM 45 O LEU A 2 6.040 -7.478 -5.775 1.00 32.03 O ATOM 46 CB LEU A 2 6.807 -4.284 -5.816 1.00 50.25 C ATOM 47 CG LEU A 2 7.730 -4.945 -4.792 1.00 70.35 C ATOM 48 CD1 LEU A 2 9.033 -5.377 -5.448 1.00 55.22 C ATOM 49 CD2 LEU A 2 8.003 -4.000 -3.631 1.00 73.24 C ATOM 0 HA LEU A 2 5.548 -4.822 -7.474 1.00 62.31 H new ATOM 0 HB2 LEU A 2 7.423 -3.844 -6.600 1.00 50.25 H new ATOM 0 HB3 LEU A 2 6.281 -3.465 -5.326 1.00 50.25 H new ATOM 0 HG LEU A 2 7.232 -5.833 -4.402 1.00 70.35 H new ATOM 0 HD11 LEU A 2 9.677 -5.845 -4.704 1.00 55.22 H new ATOM 0 HD12 LEU A 2 8.820 -6.090 -6.244 1.00 55.22 H new ATOM 0 HD13 LEU A 2 9.536 -4.505 -5.866 1.00 55.22 H new ATOM 0 HD21 LEU A 2 8.662 -4.487 -2.912 1.00 73.24 H new ATOM 0 HD22 LEU A 2 8.480 -3.094 -4.004 1.00 73.24 H new ATOM 0 HD23 LEU A 2 7.063 -3.741 -3.144 1.00 73.24 H new ATOM 61 N PHE A 3 7.128 -6.836 -7.636 1.00 44.40 N ATOM 62 CA PHE A 3 7.728 -8.144 -7.869 1.00 73.41 C ATOM 63 C PHE A 3 9.216 -8.014 -8.180 1.00 52.41 C ATOM 64 O PHE A 3 9.648 -7.043 -8.801 1.00 1.24 O ATOM 65 CB PHE A 3 7.015 -8.857 -9.020 1.00 62.43 C ATOM 66 CG PHE A 3 5.649 -9.366 -8.657 1.00 4.30 C ATOM 67 CD1 PHE A 3 4.618 -8.483 -8.379 1.00 44.40 C ATOM 68 CD2 PHE A 3 5.396 -10.726 -8.594 1.00 22.41 C ATOM 69 CE1 PHE A 3 3.361 -8.948 -8.044 1.00 10.13 C ATOM 70 CE2 PHE A 3 4.141 -11.198 -8.259 1.00 55.44 C ATOM 71 CZ PHE A 3 3.121 -10.307 -7.985 1.00 44.10 C ATOM 0 H PHE A 3 7.376 -6.129 -8.328 1.00 44.40 H new ATOM 0 HA PHE A 3 7.616 -8.734 -6.959 1.00 73.41 H new ATOM 0 HB2 PHE A 3 6.926 -8.171 -9.862 1.00 62.43 H new ATOM 0 HB3 PHE A 3 7.629 -9.694 -9.354 1.00 62.43 H new ATOM 0 HD1 PHE A 3 4.799 -7.419 -8.425 1.00 44.40 H new ATOM 0 HD2 PHE A 3 6.189 -11.427 -8.809 1.00 22.41 H new ATOM 0 HE1 PHE A 3 2.566 -8.249 -7.828 1.00 10.13 H new ATOM 0 HE2 PHE A 3 3.958 -12.261 -8.211 1.00 55.44 H new ATOM 0 HZ PHE A 3 2.138 -10.672 -7.725 1.00 44.10 H new ATOM 81 N ALA A 4 9.994 -8.998 -7.744 1.00 22.44 N ATOM 82 CA ALA A 4 11.433 -8.995 -7.976 1.00 61.00 C ATOM 83 C ALA A 4 11.871 -10.249 -8.725 1.00 22.12 C ATOM 84 O ALA A 4 11.223 -11.292 -8.642 1.00 20.44 O ATOM 85 CB ALA A 4 12.181 -8.878 -6.656 1.00 53.10 C ATOM 0 H ALA A 4 9.652 -9.808 -7.228 1.00 22.44 H new ATOM 0 HA ALA A 4 11.674 -8.131 -8.595 1.00 61.00 H new ATOM 0 HB1 ALA A 4 13.254 -8.877 -6.845 1.00 53.10 H new ATOM 0 HB2 ALA A 4 11.899 -7.950 -6.159 1.00 53.10 H new ATOM 0 HB3 ALA A 4 11.926 -9.723 -6.017 1.00 53.10 H new ATOM 91 N VAL A 5 12.975 -10.140 -9.457 1.00 62.22 N ATOM 92 CA VAL A 5 13.500 -11.266 -10.221 1.00 2.22 C ATOM 93 C VAL A 5 14.940 -11.575 -9.825 1.00 52.53 C ATOM 94 O VAL A 5 15.788 -10.683 -9.778 1.00 11.22 O ATOM 95 CB VAL A 5 13.443 -10.992 -11.735 1.00 40.15 C ATOM 96 CG1 VAL A 5 14.246 -9.748 -12.084 1.00 65.31 C ATOM 97 CG2 VAL A 5 13.947 -12.198 -12.514 1.00 11.11 C ATOM 0 H VAL A 5 13.523 -9.284 -9.537 1.00 62.22 H new ATOM 0 HA VAL A 5 12.871 -12.126 -9.991 1.00 2.22 H new ATOM 0 HB VAL A 5 12.405 -10.815 -12.015 1.00 40.15 H new ATOM 0 HG11 VAL A 5 14.194 -9.571 -13.158 1.00 65.31 H new ATOM 0 HG12 VAL A 5 13.835 -8.889 -11.554 1.00 65.31 H new ATOM 0 HG13 VAL A 5 15.286 -9.892 -11.790 1.00 65.31 H new ATOM 0 HG21 VAL A 5 13.900 -11.987 -13.582 1.00 11.11 H new ATOM 0 HG22 VAL A 5 14.978 -12.409 -12.231 1.00 11.11 H new ATOM 0 HG23 VAL A 5 13.324 -13.064 -12.287 1.00 11.11 H new ATOM 107 N THR A 6 15.211 -12.845 -9.542 1.00 14.01 N ATOM 108 CA THR A 6 16.547 -13.272 -9.150 1.00 25.43 C ATOM 109 C THR A 6 17.503 -13.249 -10.337 1.00 52.23 C ATOM 110 O THR A 6 17.144 -13.655 -11.444 1.00 4.52 O ATOM 111 CB THR A 6 16.530 -14.690 -8.548 1.00 30.05 C ATOM 112 OG1 THR A 6 15.232 -15.274 -8.706 1.00 11.52 O ATOM 113 CG2 THR A 6 16.900 -14.656 -7.072 1.00 52.03 C ATOM 0 H THR A 6 14.522 -13.596 -9.577 1.00 14.01 H new ATOM 0 HA THR A 6 16.894 -12.568 -8.394 1.00 25.43 H new ATOM 0 HB THR A 6 17.267 -15.294 -9.077 1.00 30.05 H new ATOM 0 HG1 THR A 6 15.181 -16.104 -8.187 1.00 11.52 H new ATOM 0 HG21 THR A 6 16.881 -15.669 -6.669 1.00 52.03 H new ATOM 0 HG22 THR A 6 17.900 -14.238 -6.957 1.00 52.03 H new ATOM 0 HG23 THR A 6 16.184 -14.037 -6.532 1.00 52.03 H new ATOM 121 N LEU A 7 18.720 -12.772 -10.102 1.00 23.32 N ATOM 122 CA LEU A 7 19.729 -12.697 -11.153 1.00 51.31 C ATOM 123 C LEU A 7 20.874 -13.667 -10.880 1.00 74.23 C ATOM 124 O LEU A 7 21.708 -13.918 -11.750 1.00 25.33 O ATOM 125 CB LEU A 7 20.270 -11.270 -11.266 1.00 22.40 C ATOM 126 CG LEU A 7 19.234 -10.150 -11.173 1.00 40.11 C ATOM 127 CD1 LEU A 7 19.903 -8.791 -11.314 1.00 72.32 C ATOM 128 CD2 LEU A 7 18.158 -10.329 -12.234 1.00 31.31 C ATOM 0 H LEU A 7 19.032 -12.431 -9.193 1.00 23.32 H new ATOM 0 HA LEU A 7 19.258 -12.977 -12.095 1.00 51.31 H new ATOM 0 HB2 LEU A 7 21.009 -11.120 -10.479 1.00 22.40 H new ATOM 0 HB3 LEU A 7 20.793 -11.176 -12.218 1.00 22.40 H new ATOM 0 HG LEU A 7 18.761 -10.200 -10.192 1.00 40.11 H new ATOM 0 HD11 LEU A 7 19.150 -8.006 -11.245 1.00 72.32 H new ATOM 0 HD12 LEU A 7 20.636 -8.662 -10.517 1.00 72.32 H new ATOM 0 HD13 LEU A 7 20.403 -8.730 -12.280 1.00 72.32 H new ATOM 0 HD21 LEU A 7 17.429 -9.523 -12.153 1.00 31.31 H new ATOM 0 HD22 LEU A 7 18.615 -10.307 -13.223 1.00 31.31 H new ATOM 0 HD23 LEU A 7 17.658 -11.286 -12.087 1.00 31.31 H new ATOM 140 N TYR A 8 20.905 -14.211 -9.669 1.00 31.11 N ATOM 141 CA TYR A 8 21.947 -15.154 -9.281 1.00 61.33 C ATOM 142 C TYR A 8 21.360 -16.321 -8.493 1.00 2.14 C ATOM 143 O TYR A 8 20.309 -16.194 -7.866 1.00 10.51 O ATOM 144 CB TYR A 8 23.019 -14.449 -8.448 1.00 54.34 C ATOM 145 CG TYR A 8 23.661 -13.277 -9.155 1.00 40.24 C ATOM 146 CD1 TYR A 8 23.056 -12.026 -9.161 1.00 34.31 C ATOM 147 CD2 TYR A 8 24.874 -13.420 -9.817 1.00 43.04 C ATOM 148 CE1 TYR A 8 23.639 -10.953 -9.806 1.00 74.23 C ATOM 149 CE2 TYR A 8 25.466 -12.352 -10.464 1.00 55.03 C ATOM 150 CZ TYR A 8 24.844 -11.121 -10.456 1.00 54.13 C ATOM 151 OH TYR A 8 25.428 -10.054 -11.099 1.00 44.02 O ATOM 0 H TYR A 8 20.220 -14.015 -8.939 1.00 31.11 H new ATOM 0 HA TYR A 8 22.403 -15.546 -10.190 1.00 61.33 H new ATOM 0 HB2 TYR A 8 22.573 -14.101 -7.517 1.00 54.34 H new ATOM 0 HB3 TYR A 8 23.792 -15.170 -8.181 1.00 54.34 H new ATOM 0 HD1 TYR A 8 22.113 -11.890 -8.652 1.00 34.31 H new ATOM 0 HD2 TYR A 8 25.363 -14.383 -9.826 1.00 43.04 H new ATOM 0 HE1 TYR A 8 23.154 -9.988 -9.802 1.00 74.23 H new ATOM 0 HE2 TYR A 8 26.410 -12.480 -10.973 1.00 55.03 H new ATOM 0 HH TYR A 8 25.180 -9.222 -10.644 1.00 44.02 H new ATOM 161 N GLU A 9 22.049 -17.457 -8.529 1.00 71.41 N ATOM 162 CA GLU A 9 21.596 -18.647 -7.818 1.00 62.30 C ATOM 163 C GLU A 9 21.994 -18.586 -6.346 1.00 50.21 C ATOM 164 O GLU A 9 23.157 -18.787 -5.997 1.00 23.12 O ATOM 165 CB GLU A 9 22.179 -19.907 -8.463 1.00 1.41 C ATOM 166 CG GLU A 9 21.943 -21.170 -7.653 1.00 20.21 C ATOM 167 CD GLU A 9 21.789 -22.402 -8.524 1.00 51.54 C ATOM 168 OE1 GLU A 9 20.761 -22.506 -9.226 1.00 33.34 O ATOM 169 OE2 GLU A 9 22.695 -23.260 -8.505 1.00 45.12 O ATOM 0 H GLU A 9 22.922 -17.579 -9.042 1.00 71.41 H new ATOM 0 HA GLU A 9 20.509 -18.685 -7.882 1.00 62.30 H new ATOM 0 HB2 GLU A 9 21.742 -20.034 -9.453 1.00 1.41 H new ATOM 0 HB3 GLU A 9 23.251 -19.770 -8.603 1.00 1.41 H new ATOM 0 HG2 GLU A 9 22.776 -21.317 -6.966 1.00 20.21 H new ATOM 0 HG3 GLU A 9 21.047 -21.045 -7.045 1.00 20.21 H new ATOM 176 N PHE A 10 21.019 -18.305 -5.487 1.00 64.52 N ATOM 177 CA PHE A 10 21.267 -18.215 -4.053 1.00 31.41 C ATOM 178 C PHE A 10 20.632 -19.392 -3.317 1.00 1.44 C ATOM 179 O PHE A 10 19.421 -19.423 -3.100 1.00 14.35 O ATOM 180 CB PHE A 10 20.719 -16.898 -3.501 1.00 54.10 C ATOM 181 CG PHE A 10 20.892 -16.752 -2.016 1.00 53.32 C ATOM 182 CD1 PHE A 10 19.939 -17.249 -1.142 1.00 73.21 C ATOM 183 CD2 PHE A 10 22.008 -16.117 -1.495 1.00 34.34 C ATOM 184 CE1 PHE A 10 20.095 -17.115 0.225 1.00 63.24 C ATOM 185 CE2 PHE A 10 22.170 -15.981 -0.129 1.00 12.33 C ATOM 186 CZ PHE A 10 21.213 -16.481 0.732 1.00 73.31 C ATOM 0 H PHE A 10 20.051 -18.136 -5.759 1.00 64.52 H new ATOM 0 HA PHE A 10 22.345 -18.247 -3.893 1.00 31.41 H new ATOM 0 HB2 PHE A 10 21.219 -16.068 -4.000 1.00 54.10 H new ATOM 0 HB3 PHE A 10 19.659 -16.824 -3.744 1.00 54.10 H new ATOM 0 HD1 PHE A 10 19.064 -17.747 -1.533 1.00 73.21 H new ATOM 0 HD2 PHE A 10 22.760 -15.724 -2.164 1.00 34.34 H new ATOM 0 HE1 PHE A 10 19.344 -17.505 0.896 1.00 63.24 H new ATOM 0 HE2 PHE A 10 23.044 -15.484 0.265 1.00 12.33 H new ATOM 0 HZ PHE A 10 21.338 -16.377 1.800 1.00 73.31 H new ATOM 196 N LYS A 11 21.459 -20.359 -2.935 1.00 44.11 N ATOM 197 CA LYS A 11 20.982 -21.538 -2.223 1.00 12.14 C ATOM 198 C LYS A 11 20.752 -21.226 -0.747 1.00 70.12 C ATOM 199 O LYS A 11 21.571 -20.567 -0.108 1.00 10.23 O ATOM 200 CB LYS A 11 21.985 -22.685 -2.362 1.00 44.21 C ATOM 201 CG LYS A 11 22.215 -23.121 -3.799 1.00 1.32 C ATOM 202 CD LYS A 11 20.914 -23.519 -4.476 1.00 1.35 C ATOM 203 CE LYS A 11 21.168 -24.298 -5.757 1.00 10.21 C ATOM 204 NZ LYS A 11 21.559 -25.708 -5.480 1.00 43.24 N ATOM 0 H LYS A 11 22.464 -20.349 -3.107 1.00 44.11 H new ATOM 0 HA LYS A 11 20.032 -21.839 -2.666 1.00 12.14 H new ATOM 0 HB2 LYS A 11 22.937 -22.379 -1.927 1.00 44.21 H new ATOM 0 HB3 LYS A 11 21.630 -23.539 -1.784 1.00 44.21 H new ATOM 0 HG2 LYS A 11 22.683 -22.309 -4.356 1.00 1.32 H new ATOM 0 HG3 LYS A 11 22.908 -23.962 -3.819 1.00 1.32 H new ATOM 0 HD2 LYS A 11 20.318 -24.124 -3.793 1.00 1.35 H new ATOM 0 HD3 LYS A 11 20.332 -22.626 -4.702 1.00 1.35 H new ATOM 0 HE2 LYS A 11 20.270 -24.285 -6.374 1.00 10.21 H new ATOM 0 HE3 LYS A 11 21.956 -23.808 -6.330 1.00 10.21 H new ATOM 0 HZ1 LYS A 11 21.624 -26.232 -6.376 1.00 43.24 H new ATOM 0 HZ2 LYS A 11 22.482 -25.725 -5.001 1.00 43.24 H new ATOM 0 HZ3 LYS A 11 20.844 -26.153 -4.870 1.00 43.24 H new ATOM 218 N ALA A 12 19.633 -21.706 -0.213 1.00 5.50 N ATOM 219 CA ALA A 12 19.298 -21.481 1.188 1.00 45.33 C ATOM 220 C ALA A 12 20.336 -22.113 2.109 1.00 63.13 C ATOM 221 O ALA A 12 21.095 -22.989 1.694 1.00 10.34 O ATOM 222 CB ALA A 12 17.913 -22.031 1.494 1.00 42.32 C ATOM 0 H ALA A 12 18.944 -22.253 -0.729 1.00 5.50 H new ATOM 0 HA ALA A 12 19.298 -20.406 1.368 1.00 45.33 H new ATOM 0 HB1 ALA A 12 17.676 -21.856 2.543 1.00 42.32 H new ATOM 0 HB2 ALA A 12 17.176 -21.530 0.867 1.00 42.32 H new ATOM 0 HB3 ALA A 12 17.894 -23.102 1.291 1.00 42.32 H new ATOM 228 N GLU A 13 20.364 -21.663 3.359 1.00 14.13 N ATOM 229 CA GLU A 13 21.310 -22.185 4.338 1.00 44.12 C ATOM 230 C GLU A 13 20.584 -22.701 5.576 1.00 34.42 C ATOM 231 O GLU A 13 20.985 -23.700 6.173 1.00 23.41 O ATOM 232 CB GLU A 13 22.315 -21.102 4.737 1.00 14.41 C ATOM 233 CG GLU A 13 21.675 -19.752 5.016 1.00 10.05 C ATOM 234 CD GLU A 13 22.612 -18.799 5.733 1.00 21.53 C ATOM 235 OE1 GLU A 13 22.645 -18.825 6.981 1.00 32.22 O ATOM 236 OE2 GLU A 13 23.313 -18.028 5.045 1.00 23.23 O ATOM 0 H GLU A 13 19.743 -20.938 3.718 1.00 14.13 H new ATOM 0 HA GLU A 13 21.845 -23.017 3.880 1.00 44.12 H new ATOM 0 HB2 GLU A 13 22.856 -21.429 5.625 1.00 14.41 H new ATOM 0 HB3 GLU A 13 23.050 -20.989 3.940 1.00 14.41 H new ATOM 0 HG2 GLU A 13 21.357 -19.303 4.075 1.00 10.05 H new ATOM 0 HG3 GLU A 13 20.779 -19.897 5.619 1.00 10.05 H new ATOM 243 N ARG A 14 19.512 -22.013 5.956 1.00 22.05 N ATOM 244 CA ARG A 14 18.730 -22.400 7.124 1.00 22.33 C ATOM 245 C ARG A 14 17.239 -22.411 6.801 1.00 60.43 C ATOM 246 O ARG A 14 16.838 -22.158 5.665 1.00 43.43 O ATOM 247 CB ARG A 14 19.003 -21.445 8.287 1.00 5.13 C ATOM 248 CG ARG A 14 20.313 -21.721 9.007 1.00 5.41 C ATOM 249 CD ARG A 14 20.119 -22.680 10.171 1.00 74.13 C ATOM 250 NE ARG A 14 19.547 -23.953 9.740 1.00 33.24 N ATOM 251 CZ ARG A 14 20.258 -24.928 9.184 1.00 54.51 C ATOM 252 NH1 ARG A 14 21.561 -24.775 8.992 1.00 74.32 N ATOM 253 NH2 ARG A 14 19.665 -26.057 8.819 1.00 63.41 N ATOM 0 H ARG A 14 19.165 -21.185 5.472 1.00 22.05 H new ATOM 0 HA ARG A 14 19.030 -23.408 7.412 1.00 22.33 H new ATOM 0 HB2 ARG A 14 19.013 -20.422 7.911 1.00 5.13 H new ATOM 0 HB3 ARG A 14 18.184 -21.514 9.002 1.00 5.13 H new ATOM 0 HG2 ARG A 14 21.034 -22.141 8.305 1.00 5.41 H new ATOM 0 HG3 ARG A 14 20.733 -20.784 9.373 1.00 5.41 H new ATOM 0 HD2 ARG A 14 21.078 -22.859 10.657 1.00 74.13 H new ATOM 0 HD3 ARG A 14 19.466 -22.222 10.914 1.00 74.13 H new ATOM 0 HE ARG A 14 18.547 -24.102 9.873 1.00 33.24 H new ATOM 0 HH11 ARG A 14 22.019 -23.908 9.271 1.00 74.32 H new ATOM 0 HH12 ARG A 14 22.105 -25.525 8.565 1.00 74.32 H new ATOM 0 HH21 ARG A 14 18.663 -26.177 8.965 1.00 63.41 H new ATOM 0 HH22 ARG A 14 20.211 -26.805 8.392 1.00 63.41 H new ATOM 267 N ASP A 15 16.423 -22.708 7.806 1.00 0.53 N ATOM 268 CA ASP A 15 14.976 -22.751 7.629 1.00 22.34 C ATOM 269 C ASP A 15 14.426 -21.365 7.308 1.00 72.30 C ATOM 270 O ASP A 15 13.289 -21.227 6.856 1.00 70.50 O ATOM 271 CB ASP A 15 14.303 -23.302 8.888 1.00 45.50 C ATOM 272 CG ASP A 15 14.443 -24.806 9.008 1.00 32.41 C ATOM 273 OD1 ASP A 15 14.409 -25.491 7.964 1.00 74.00 O ATOM 274 OD2 ASP A 15 14.587 -25.299 10.146 1.00 31.42 O ATOM 0 H ASP A 15 16.739 -22.923 8.752 1.00 0.53 H new ATOM 0 HA ASP A 15 14.757 -23.412 6.790 1.00 22.34 H new ATOM 0 HB2 ASP A 15 14.740 -22.828 9.767 1.00 45.50 H new ATOM 0 HB3 ASP A 15 13.245 -23.038 8.876 1.00 45.50 H new ATOM 279 N ASP A 16 15.239 -20.342 7.545 1.00 31.02 N ATOM 280 CA ASP A 16 14.834 -18.966 7.281 1.00 33.31 C ATOM 281 C ASP A 16 15.391 -18.482 5.946 1.00 25.22 C ATOM 282 O ASP A 16 15.527 -17.281 5.719 1.00 1.41 O ATOM 283 CB ASP A 16 15.306 -18.047 8.409 1.00 64.43 C ATOM 284 CG ASP A 16 16.784 -17.724 8.311 1.00 42.54 C ATOM 285 OD1 ASP A 16 17.600 -18.515 8.827 1.00 62.12 O ATOM 286 OD2 ASP A 16 17.125 -16.678 7.718 1.00 13.24 O ATOM 0 H ASP A 16 16.183 -20.439 7.920 1.00 31.02 H new ATOM 0 HA ASP A 16 13.746 -18.937 7.232 1.00 33.31 H new ATOM 0 HB2 ASP A 16 14.732 -17.121 8.384 1.00 64.43 H new ATOM 0 HB3 ASP A 16 15.103 -18.521 9.369 1.00 64.43 H new ATOM 291 N GLU A 17 15.714 -19.427 5.068 1.00 53.42 N ATOM 292 CA GLU A 17 16.259 -19.095 3.757 1.00 73.35 C ATOM 293 C GLU A 17 15.617 -19.952 2.669 1.00 43.25 C ATOM 294 O GLU A 17 15.335 -21.132 2.878 1.00 72.44 O ATOM 295 CB GLU A 17 17.776 -19.290 3.746 1.00 23.51 C ATOM 296 CG GLU A 17 18.554 -18.039 4.116 1.00 15.54 C ATOM 297 CD GLU A 17 18.717 -17.875 5.615 1.00 22.31 C ATOM 298 OE1 GLU A 17 18.439 -18.844 6.352 1.00 73.21 O ATOM 299 OE2 GLU A 17 19.124 -16.778 6.051 1.00 42.13 O ATOM 0 H GLU A 17 15.608 -20.427 5.241 1.00 53.42 H new ATOM 0 HA GLU A 17 16.034 -18.048 3.552 1.00 73.35 H new ATOM 0 HB2 GLU A 17 18.036 -20.088 4.441 1.00 23.51 H new ATOM 0 HB3 GLU A 17 18.084 -19.619 2.754 1.00 23.51 H new ATOM 0 HG2 GLU A 17 19.538 -18.077 3.649 1.00 15.54 H new ATOM 0 HG3 GLU A 17 18.043 -17.165 3.712 1.00 15.54 H new ATOM 306 N LEU A 18 15.389 -19.349 1.507 1.00 44.10 N ATOM 307 CA LEU A 18 14.781 -20.055 0.385 1.00 53.01 C ATOM 308 C LEU A 18 15.698 -20.035 -0.833 1.00 42.25 C ATOM 309 O LEU A 18 16.140 -18.973 -1.273 1.00 55.01 O ATOM 310 CB LEU A 18 13.432 -19.426 0.032 1.00 13.22 C ATOM 311 CG LEU A 18 12.646 -20.107 -1.089 1.00 0.11 C ATOM 312 CD1 LEU A 18 11.705 -21.157 -0.519 1.00 53.24 C ATOM 313 CD2 LEU A 18 11.872 -19.077 -1.899 1.00 61.44 C ATOM 0 H LEU A 18 15.616 -18.373 1.318 1.00 44.10 H new ATOM 0 HA LEU A 18 14.625 -21.092 0.682 1.00 53.01 H new ATOM 0 HB2 LEU A 18 12.813 -19.417 0.929 1.00 13.22 H new ATOM 0 HB3 LEU A 18 13.601 -18.387 -0.250 1.00 13.22 H new ATOM 0 HG LEU A 18 13.353 -20.605 -1.753 1.00 0.11 H new ATOM 0 HD11 LEU A 18 11.154 -21.631 -1.331 1.00 53.24 H new ATOM 0 HD12 LEU A 18 12.282 -21.911 0.016 1.00 53.24 H new ATOM 0 HD13 LEU A 18 11.003 -20.683 0.167 1.00 53.24 H new ATOM 0 HD21 LEU A 18 11.318 -19.579 -2.692 1.00 61.44 H new ATOM 0 HD22 LEU A 18 11.175 -18.551 -1.247 1.00 61.44 H new ATOM 0 HD23 LEU A 18 12.568 -18.362 -2.338 1.00 61.44 H new ATOM 325 N ASP A 19 15.979 -21.215 -1.375 1.00 43.33 N ATOM 326 CA ASP A 19 16.842 -21.333 -2.545 1.00 55.35 C ATOM 327 C ASP A 19 16.196 -20.680 -3.764 1.00 3.10 C ATOM 328 O ASP A 19 14.990 -20.798 -3.978 1.00 52.55 O ATOM 329 CB ASP A 19 17.141 -22.804 -2.838 1.00 43.32 C ATOM 330 CG ASP A 19 15.944 -23.536 -3.412 1.00 11.45 C ATOM 331 OD1 ASP A 19 14.976 -23.770 -2.658 1.00 62.52 O ATOM 332 OD2 ASP A 19 15.975 -23.874 -4.613 1.00 73.44 O ATOM 0 H ASP A 19 15.622 -22.103 -1.023 1.00 43.33 H new ATOM 0 HA ASP A 19 17.777 -20.816 -2.330 1.00 55.35 H new ATOM 0 HB2 ASP A 19 17.973 -22.870 -3.539 1.00 43.32 H new ATOM 0 HB3 ASP A 19 17.458 -23.297 -1.919 1.00 43.32 H new ATOM 337 N VAL A 20 17.008 -19.990 -4.559 1.00 63.41 N ATOM 338 CA VAL A 20 16.517 -19.319 -5.756 1.00 41.52 C ATOM 339 C VAL A 20 17.528 -19.413 -6.894 1.00 31.35 C ATOM 340 O VAL A 20 18.718 -19.630 -6.664 1.00 13.42 O ATOM 341 CB VAL A 20 16.209 -17.835 -5.481 1.00 14.14 C ATOM 342 CG1 VAL A 20 14.797 -17.675 -4.936 1.00 62.03 C ATOM 343 CG2 VAL A 20 17.230 -17.249 -4.517 1.00 52.25 C ATOM 0 H VAL A 20 18.009 -19.881 -4.395 1.00 63.41 H new ATOM 0 HA VAL A 20 15.597 -19.826 -6.048 1.00 41.52 H new ATOM 0 HB VAL A 20 16.275 -17.288 -6.421 1.00 14.14 H new ATOM 0 HG11 VAL A 20 14.597 -16.620 -4.748 1.00 62.03 H new ATOM 0 HG12 VAL A 20 14.081 -18.056 -5.664 1.00 62.03 H new ATOM 0 HG13 VAL A 20 14.701 -18.234 -4.005 1.00 62.03 H new ATOM 0 HG21 VAL A 20 16.997 -16.200 -4.334 1.00 52.25 H new ATOM 0 HG22 VAL A 20 17.198 -17.797 -3.576 1.00 52.25 H new ATOM 0 HG23 VAL A 20 18.227 -17.329 -4.950 1.00 52.25 H new ATOM 353 N SER A 21 17.046 -19.249 -8.121 1.00 60.44 N ATOM 354 CA SER A 21 17.907 -19.320 -9.296 1.00 41.31 C ATOM 355 C SER A 21 17.740 -18.078 -10.167 1.00 61.31 C ATOM 356 O SER A 21 16.743 -17.361 -10.085 1.00 41.42 O ATOM 357 CB SER A 21 17.591 -20.575 -10.112 1.00 23.03 C ATOM 358 OG SER A 21 18.317 -21.693 -9.629 1.00 51.52 O ATOM 0 H SER A 21 16.064 -19.066 -8.328 1.00 60.44 H new ATOM 0 HA SER A 21 18.941 -19.368 -8.955 1.00 41.31 H new ATOM 0 HB2 SER A 21 16.522 -20.784 -10.065 1.00 23.03 H new ATOM 0 HB3 SER A 21 17.837 -20.403 -11.160 1.00 23.03 H new ATOM 0 HG SER A 21 19.276 -21.495 -9.652 1.00 51.52 H new ATOM 364 N PRO A 22 18.740 -17.818 -11.022 1.00 50.24 N ATOM 365 CA PRO A 22 18.728 -16.664 -11.926 1.00 42.41 C ATOM 366 C PRO A 22 17.688 -16.804 -13.032 1.00 53.10 C ATOM 367 O PRO A 22 17.758 -17.719 -13.851 1.00 50.14 O ATOM 368 CB PRO A 22 20.140 -16.662 -12.517 1.00 41.34 C ATOM 369 CG PRO A 22 20.594 -18.077 -12.419 1.00 72.24 C ATOM 370 CD PRO A 22 19.959 -18.630 -11.174 1.00 33.34 C ATOM 0 HA PRO A 22 18.467 -15.742 -11.406 1.00 42.41 H new ATOM 0 HB2 PRO A 22 20.136 -16.318 -13.551 1.00 41.34 H new ATOM 0 HB3 PRO A 22 20.800 -15.995 -11.962 1.00 41.34 H new ATOM 0 HG2 PRO A 22 20.290 -18.646 -13.298 1.00 72.24 H new ATOM 0 HG3 PRO A 22 21.681 -18.135 -12.362 1.00 72.24 H new ATOM 0 HD2 PRO A 22 19.725 -19.689 -11.279 1.00 33.34 H new ATOM 0 HD3 PRO A 22 20.617 -18.533 -10.310 1.00 33.34 H new ATOM 378 N GLY A 23 16.722 -15.890 -13.049 1.00 41.14 N ATOM 379 CA GLY A 23 15.681 -15.930 -14.060 1.00 10.14 C ATOM 380 C GLY A 23 14.339 -16.351 -13.493 1.00 44.23 C ATOM 381 O GLY A 23 13.383 -16.563 -14.238 1.00 44.45 O ATOM 0 H GLY A 23 16.642 -15.123 -12.381 1.00 41.14 H new ATOM 0 HA2 GLY A 23 15.586 -14.946 -14.518 1.00 10.14 H new ATOM 0 HA3 GLY A 23 15.972 -16.623 -14.850 1.00 10.14 H new ATOM 385 N GLU A 24 14.269 -16.474 -12.171 1.00 40.25 N ATOM 386 CA GLU A 24 13.035 -16.875 -11.507 1.00 34.00 C ATOM 387 C GLU A 24 12.209 -15.655 -11.110 1.00 51.42 C ATOM 388 O GLU A 24 12.720 -14.537 -11.057 1.00 50.12 O ATOM 389 CB GLU A 24 13.347 -17.718 -10.269 1.00 14.13 C ATOM 390 CG GLU A 24 13.431 -19.208 -10.552 1.00 72.33 C ATOM 391 CD GLU A 24 12.105 -19.793 -10.998 1.00 73.11 C ATOM 392 OE1 GLU A 24 11.053 -19.253 -10.597 1.00 74.13 O ATOM 393 OE2 GLU A 24 12.120 -20.791 -11.749 1.00 34.44 O ATOM 0 H GLU A 24 15.052 -16.302 -11.540 1.00 40.25 H new ATOM 0 HA GLU A 24 12.453 -17.473 -12.208 1.00 34.00 H new ATOM 0 HB2 GLU A 24 14.292 -17.384 -9.842 1.00 14.13 H new ATOM 0 HB3 GLU A 24 12.578 -17.542 -9.517 1.00 14.13 H new ATOM 0 HG2 GLU A 24 14.180 -19.386 -11.324 1.00 72.33 H new ATOM 0 HG3 GLU A 24 13.769 -19.726 -9.654 1.00 72.33 H new ATOM 400 N ASN A 25 10.928 -15.879 -10.833 1.00 4.41 N ATOM 401 CA ASN A 25 10.031 -14.798 -10.442 1.00 53.30 C ATOM 402 C ASN A 25 9.683 -14.889 -8.959 1.00 74.04 C ATOM 403 O ASN A 25 9.109 -15.880 -8.505 1.00 13.41 O ATOM 404 CB ASN A 25 8.752 -14.840 -11.281 1.00 70.31 C ATOM 405 CG ASN A 25 9.032 -14.731 -12.768 1.00 31.15 C ATOM 406 OD1 ASN A 25 9.489 -15.686 -13.396 1.00 43.21 O ATOM 407 ND2 ASN A 25 8.758 -13.563 -13.337 1.00 20.02 N ATOM 0 H ASN A 25 10.489 -16.799 -10.872 1.00 4.41 H new ATOM 0 HA ASN A 25 10.543 -13.852 -10.619 1.00 53.30 H new ATOM 0 HB2 ASN A 25 8.220 -15.770 -11.081 1.00 70.31 H new ATOM 0 HB3 ASN A 25 8.094 -14.025 -10.977 1.00 70.31 H new ATOM 0 HD21 ASN A 25 8.925 -13.430 -14.334 1.00 20.02 H new ATOM 0 HD22 ASN A 25 8.380 -12.799 -12.777 1.00 20.02 H new ATOM 414 N LEU A 26 10.033 -13.850 -8.210 1.00 50.51 N ATOM 415 CA LEU A 26 9.757 -13.811 -6.778 1.00 63.01 C ATOM 416 C LEU A 26 8.886 -12.610 -6.423 1.00 61.34 C ATOM 417 O LEU A 26 8.888 -11.600 -7.127 1.00 0.05 O ATOM 418 CB LEU A 26 11.066 -13.757 -5.988 1.00 61.11 C ATOM 419 CG LEU A 26 12.079 -14.862 -6.290 1.00 73.25 C ATOM 420 CD1 LEU A 26 13.499 -14.350 -6.106 1.00 73.12 C ATOM 421 CD2 LEU A 26 11.827 -16.073 -5.404 1.00 22.11 C ATOM 0 H LEU A 26 10.509 -13.023 -8.570 1.00 50.51 H new ATOM 0 HA LEU A 26 9.216 -14.719 -6.513 1.00 63.01 H new ATOM 0 HB2 LEU A 26 11.541 -12.795 -6.177 1.00 61.11 H new ATOM 0 HB3 LEU A 26 10.827 -13.791 -4.925 1.00 61.11 H new ATOM 0 HG LEU A 26 11.957 -15.166 -7.330 1.00 73.25 H new ATOM 0 HD11 LEU A 26 14.206 -15.150 -6.325 1.00 73.12 H new ATOM 0 HD12 LEU A 26 13.675 -13.515 -6.784 1.00 73.12 H new ATOM 0 HD13 LEU A 26 13.635 -14.018 -5.077 1.00 73.12 H new ATOM 0 HD21 LEU A 26 12.557 -16.849 -5.633 1.00 22.11 H new ATOM 0 HD22 LEU A 26 11.921 -15.784 -4.357 1.00 22.11 H new ATOM 0 HD23 LEU A 26 10.822 -16.455 -5.587 1.00 22.11 H new ATOM 433 N SER A 27 8.144 -12.728 -5.327 1.00 11.51 N ATOM 434 CA SER A 27 7.266 -11.652 -4.879 1.00 65.33 C ATOM 435 C SER A 27 7.812 -10.997 -3.614 1.00 32.42 C ATOM 436 O SER A 27 7.910 -11.635 -2.565 1.00 21.10 O ATOM 437 CB SER A 27 5.857 -12.189 -4.623 1.00 20.14 C ATOM 438 OG SER A 27 4.876 -11.211 -4.921 1.00 44.31 O ATOM 0 H SER A 27 8.133 -13.557 -4.733 1.00 11.51 H new ATOM 0 HA SER A 27 7.222 -10.899 -5.666 1.00 65.33 H new ATOM 0 HB2 SER A 27 5.687 -13.077 -5.232 1.00 20.14 H new ATOM 0 HB3 SER A 27 5.765 -12.495 -3.581 1.00 20.14 H new ATOM 0 HG SER A 27 4.697 -11.211 -5.884 1.00 44.31 H new ATOM 444 N ILE A 28 8.165 -9.721 -3.721 1.00 12.01 N ATOM 445 CA ILE A 28 8.699 -8.979 -2.586 1.00 1.12 C ATOM 446 C ILE A 28 7.617 -8.712 -1.545 1.00 41.10 C ATOM 447 O ILE A 28 6.461 -8.462 -1.887 1.00 53.41 O ATOM 448 CB ILE A 28 9.312 -7.637 -3.029 1.00 31.14 C ATOM 449 CG1 ILE A 28 10.479 -7.877 -3.988 1.00 5.40 C ATOM 450 CG2 ILE A 28 9.770 -6.839 -1.817 1.00 53.53 C ATOM 451 CD1 ILE A 28 11.666 -8.554 -3.339 1.00 0.35 C ATOM 0 H ILE A 28 8.091 -9.179 -4.582 1.00 12.01 H new ATOM 0 HA ILE A 28 9.480 -9.598 -2.144 1.00 1.12 H new ATOM 0 HB ILE A 28 8.549 -7.060 -3.552 1.00 31.14 H new ATOM 0 HG12 ILE A 28 10.134 -8.488 -4.822 1.00 5.40 H new ATOM 0 HG13 ILE A 28 10.799 -6.922 -4.404 1.00 5.40 H new ATOM 0 HG21 ILE A 28 10.201 -5.893 -2.146 1.00 53.53 H new ATOM 0 HG22 ILE A 28 8.917 -6.643 -1.167 1.00 53.53 H new ATOM 0 HG23 ILE A 28 10.520 -7.409 -1.269 1.00 53.53 H new ATOM 0 HD11 ILE A 28 12.455 -8.692 -4.078 1.00 0.35 H new ATOM 0 HD12 ILE A 28 12.037 -7.934 -2.523 1.00 0.35 H new ATOM 0 HD13 ILE A 28 11.362 -9.525 -2.947 1.00 0.35 H new ATOM 463 N CYS A 29 8.000 -8.765 -0.274 1.00 64.44 N ATOM 464 CA CYS A 29 7.063 -8.528 0.818 1.00 71.23 C ATOM 465 C CYS A 29 7.562 -7.413 1.730 1.00 1.31 C ATOM 466 O CYS A 29 6.776 -6.611 2.234 1.00 21.23 O ATOM 467 CB CYS A 29 6.854 -9.810 1.626 1.00 44.22 C ATOM 468 SG CYS A 29 6.518 -11.272 0.617 1.00 31.11 S ATOM 0 H CYS A 29 8.953 -8.970 0.026 1.00 64.44 H new ATOM 0 HA CYS A 29 6.111 -8.220 0.386 1.00 71.23 H new ATOM 0 HB2 CYS A 29 7.742 -9.995 2.230 1.00 44.22 H new ATOM 0 HB3 CYS A 29 6.024 -9.660 2.317 1.00 44.22 H new ATOM 0 HG CYS A 29 7.145 -11.170 -0.517 1.00 31.11 H new ATOM 474 N ALA A 30 8.874 -7.369 1.939 1.00 12.31 N ATOM 475 CA ALA A 30 9.478 -6.352 2.791 1.00 40.54 C ATOM 476 C ALA A 30 10.996 -6.349 2.650 1.00 24.11 C ATOM 477 O ALA A 30 11.574 -7.242 2.029 1.00 30.23 O ATOM 478 CB ALA A 30 9.081 -6.575 4.242 1.00 13.53 C ATOM 0 H ALA A 30 9.539 -8.026 1.530 1.00 12.31 H new ATOM 0 HA ALA A 30 9.108 -5.378 2.471 1.00 40.54 H new ATOM 0 HB1 ALA A 30 9.539 -5.808 4.867 1.00 13.53 H new ATOM 0 HB2 ALA A 30 7.996 -6.519 4.335 1.00 13.53 H new ATOM 0 HB3 ALA A 30 9.422 -7.558 4.566 1.00 13.53 H new ATOM 484 N HIS A 31 11.638 -5.340 3.230 1.00 42.43 N ATOM 485 CA HIS A 31 13.091 -5.221 3.169 1.00 73.34 C ATOM 486 C HIS A 31 13.689 -5.140 4.570 1.00 54.20 C ATOM 487 O HIS A 31 12.963 -5.076 5.562 1.00 12.25 O ATOM 488 CB HIS A 31 13.489 -3.987 2.359 1.00 64.21 C ATOM 489 CG HIS A 31 13.274 -2.697 3.088 1.00 14.11 C ATOM 490 ND1 HIS A 31 14.287 -1.797 3.341 1.00 40.30 N ATOM 491 CD2 HIS A 31 12.151 -2.157 3.618 1.00 4.42 C ATOM 492 CE1 HIS A 31 13.798 -0.759 3.997 1.00 70.33 C ATOM 493 NE2 HIS A 31 12.504 -0.953 4.177 1.00 11.21 N ATOM 0 H HIS A 31 11.175 -4.593 3.748 1.00 42.43 H new ATOM 0 HA HIS A 31 13.484 -6.111 2.677 1.00 73.34 H new ATOM 0 HB2 HIS A 31 14.540 -4.068 2.083 1.00 64.21 H new ATOM 0 HB3 HIS A 31 12.916 -3.971 1.432 1.00 64.21 H new ATOM 0 HD2 HIS A 31 11.162 -2.592 3.604 1.00 4.42 H new ATOM 0 HE1 HIS A 31 14.361 0.101 4.329 1.00 70.33 H new ATOM 0 HE2 HIS A 31 11.870 -0.312 4.654 1.00 11.21 H new ATOM 501 N TYR A 32 15.015 -5.143 4.643 1.00 31.40 N ATOM 502 CA TYR A 32 15.710 -5.073 5.923 1.00 60.12 C ATOM 503 C TYR A 32 16.964 -4.210 5.815 1.00 35.12 C ATOM 504 O TYR A 32 18.000 -4.660 5.326 1.00 2.44 O ATOM 505 CB TYR A 32 16.083 -6.477 6.402 1.00 44.01 C ATOM 506 CG TYR A 32 16.557 -6.521 7.837 1.00 11.01 C ATOM 507 CD1 TYR A 32 15.652 -6.648 8.884 1.00 21.40 C ATOM 508 CD2 TYR A 32 17.909 -6.434 8.147 1.00 75.24 C ATOM 509 CE1 TYR A 32 16.080 -6.688 10.197 1.00 31.30 C ATOM 510 CE2 TYR A 32 18.345 -6.475 9.456 1.00 4.25 C ATOM 511 CZ TYR A 32 17.427 -6.602 10.478 1.00 4.31 C ATOM 512 OH TYR A 32 17.859 -6.641 11.784 1.00 34.13 O ATOM 0 H TYR A 32 15.630 -5.193 3.831 1.00 31.40 H new ATOM 0 HA TYR A 32 15.037 -4.616 6.649 1.00 60.12 H new ATOM 0 HB2 TYR A 32 15.217 -7.131 6.294 1.00 44.01 H new ATOM 0 HB3 TYR A 32 16.866 -6.876 5.757 1.00 44.01 H new ATOM 0 HD1 TYR A 32 14.596 -6.717 8.668 1.00 21.40 H new ATOM 0 HD2 TYR A 32 18.631 -6.333 7.350 1.00 75.24 H new ATOM 0 HE1 TYR A 32 15.363 -6.786 10.999 1.00 31.30 H new ATOM 0 HE2 TYR A 32 19.400 -6.408 9.679 1.00 4.25 H new ATOM 0 HH TYR A 32 18.836 -6.570 11.808 1.00 34.13 H new ATOM 522 N ASP A 33 16.860 -2.969 6.276 1.00 1.51 N ATOM 523 CA ASP A 33 17.985 -2.041 6.234 1.00 32.32 C ATOM 524 C ASP A 33 18.447 -1.812 4.799 1.00 63.44 C ATOM 525 O ASP A 33 19.566 -1.356 4.561 1.00 30.04 O ATOM 526 CB ASP A 33 19.144 -2.574 7.078 1.00 41.21 C ATOM 527 CG ASP A 33 19.054 -2.138 8.527 1.00 14.31 C ATOM 528 OD1 ASP A 33 18.466 -1.067 8.789 1.00 2.03 O ATOM 529 OD2 ASP A 33 19.569 -2.867 9.399 1.00 23.41 O ATOM 0 H ASP A 33 16.009 -2.582 6.683 1.00 1.51 H new ATOM 0 HA ASP A 33 17.654 -1.088 6.646 1.00 32.32 H new ATOM 0 HB2 ASP A 33 19.154 -3.663 7.029 1.00 41.21 H new ATOM 0 HB3 ASP A 33 20.087 -2.227 6.655 1.00 41.21 H new ATOM 534 N TYR A 34 17.580 -2.133 3.845 1.00 21.40 N ATOM 535 CA TYR A 34 17.901 -1.966 2.433 1.00 72.25 C ATOM 536 C TYR A 34 19.037 -2.897 2.018 1.00 54.30 C ATOM 537 O TYR A 34 19.744 -2.635 1.046 1.00 41.51 O ATOM 538 CB TYR A 34 18.285 -0.514 2.144 1.00 71.15 C ATOM 539 CG TYR A 34 17.291 0.493 2.677 1.00 71.23 C ATOM 540 CD1 TYR A 34 17.405 0.996 3.967 1.00 63.33 C ATOM 541 CD2 TYR A 34 16.238 0.942 1.890 1.00 75.15 C ATOM 542 CE1 TYR A 34 16.499 1.915 4.458 1.00 51.11 C ATOM 543 CE2 TYR A 34 15.327 1.862 2.372 1.00 42.30 C ATOM 544 CZ TYR A 34 15.462 2.345 3.657 1.00 52.42 C ATOM 545 OH TYR A 34 14.558 3.262 4.142 1.00 14.30 O ATOM 0 H TYR A 34 16.649 -2.510 4.024 1.00 21.40 H new ATOM 0 HA TYR A 34 17.015 -2.223 1.853 1.00 72.25 H new ATOM 0 HB2 TYR A 34 19.263 -0.312 2.580 1.00 71.15 H new ATOM 0 HB3 TYR A 34 18.383 -0.380 1.067 1.00 71.15 H new ATOM 0 HD1 TYR A 34 18.216 0.662 4.597 1.00 63.33 H new ATOM 0 HD2 TYR A 34 16.130 0.565 0.884 1.00 75.15 H new ATOM 0 HE1 TYR A 34 16.602 2.295 5.464 1.00 51.11 H new ATOM 0 HE2 TYR A 34 14.514 2.201 1.747 1.00 42.30 H new ATOM 0 HH TYR A 34 13.891 3.460 3.452 1.00 14.30 H new ATOM 555 N GLU A 35 19.203 -3.985 2.763 1.00 3.11 N ATOM 556 CA GLU A 35 20.253 -4.955 2.473 1.00 10.25 C ATOM 557 C GLU A 35 19.655 -6.312 2.113 1.00 4.11 C ATOM 558 O GLU A 35 20.124 -6.984 1.195 1.00 43.05 O ATOM 559 CB GLU A 35 21.189 -5.100 3.675 1.00 63.31 C ATOM 560 CG GLU A 35 21.094 -3.951 4.664 1.00 52.42 C ATOM 561 CD GLU A 35 22.311 -3.851 5.562 1.00 23.33 C ATOM 562 OE1 GLU A 35 22.403 -4.641 6.525 1.00 30.23 O ATOM 563 OE2 GLU A 35 23.172 -2.984 5.303 1.00 74.30 O ATOM 0 H GLU A 35 18.625 -4.217 3.571 1.00 3.11 H new ATOM 0 HA GLU A 35 20.824 -4.591 1.619 1.00 10.25 H new ATOM 0 HB2 GLU A 35 20.961 -6.032 4.192 1.00 63.31 H new ATOM 0 HB3 GLU A 35 22.216 -5.176 3.318 1.00 63.31 H new ATOM 0 HG2 GLU A 35 20.973 -3.016 4.118 1.00 52.42 H new ATOM 0 HG3 GLU A 35 20.203 -4.079 5.279 1.00 52.42 H new ATOM 570 N TRP A 36 18.619 -6.708 2.843 1.00 1.42 N ATOM 571 CA TRP A 36 17.957 -7.985 2.601 1.00 3.35 C ATOM 572 C TRP A 36 16.510 -7.775 2.169 1.00 4.21 C ATOM 573 O TRP A 36 15.816 -6.903 2.692 1.00 2.14 O ATOM 574 CB TRP A 36 18.006 -8.854 3.859 1.00 12.22 C ATOM 575 CG TRP A 36 19.398 -9.103 4.356 1.00 51.22 C ATOM 576 CD1 TRP A 36 20.185 -8.235 5.058 1.00 61.14 C ATOM 577 CD2 TRP A 36 20.167 -10.298 4.186 1.00 21.43 C ATOM 578 NE1 TRP A 36 21.398 -8.819 5.335 1.00 74.44 N ATOM 579 CE2 TRP A 36 21.411 -10.085 4.812 1.00 62.43 C ATOM 580 CE3 TRP A 36 19.925 -11.529 3.569 1.00 4.42 C ATOM 581 CZ2 TRP A 36 22.408 -11.057 4.835 1.00 3.11 C ATOM 582 CZ3 TRP A 36 20.916 -12.492 3.593 1.00 1.30 C ATOM 583 CH2 TRP A 36 22.145 -12.252 4.223 1.00 74.10 C ATOM 0 H TRP A 36 18.219 -6.164 3.607 1.00 1.42 H new ATOM 0 HA TRP A 36 18.486 -8.494 1.795 1.00 3.35 H new ATOM 0 HB2 TRP A 36 17.427 -8.372 4.647 1.00 12.22 H new ATOM 0 HB3 TRP A 36 17.526 -9.810 3.650 1.00 12.22 H new ATOM 0 HD1 TRP A 36 19.897 -7.237 5.352 1.00 61.14 H new ATOM 0 HE1 TRP A 36 22.164 -8.381 5.847 1.00 74.44 H new ATOM 0 HE3 TRP A 36 18.981 -11.724 3.082 1.00 4.42 H new ATOM 0 HZ2 TRP A 36 23.356 -10.874 5.319 1.00 3.11 H new ATOM 0 HZ3 TRP A 36 20.740 -13.446 3.118 1.00 1.30 H new ATOM 0 HH2 TRP A 36 22.899 -13.025 4.225 1.00 74.10 H new ATOM 594 N PHE A 37 16.061 -8.579 1.211 1.00 11.04 N ATOM 595 CA PHE A 37 14.696 -8.480 0.708 1.00 33.24 C ATOM 596 C PHE A 37 13.936 -9.783 0.938 1.00 34.25 C ATOM 597 O PHE A 37 14.500 -10.872 0.824 1.00 51.41 O ATOM 598 CB PHE A 37 14.703 -8.137 -0.783 1.00 35.03 C ATOM 599 CG PHE A 37 14.268 -6.729 -1.076 1.00 22.41 C ATOM 600 CD1 PHE A 37 13.033 -6.269 -0.650 1.00 11.43 C ATOM 601 CD2 PHE A 37 15.095 -5.867 -1.777 1.00 43.10 C ATOM 602 CE1 PHE A 37 12.631 -4.974 -0.919 1.00 34.10 C ATOM 603 CE2 PHE A 37 14.699 -4.571 -2.049 1.00 35.01 C ATOM 604 CZ PHE A 37 13.465 -4.124 -1.618 1.00 52.13 C ATOM 0 H PHE A 37 16.622 -9.306 0.768 1.00 11.04 H new ATOM 0 HA PHE A 37 14.191 -7.684 1.255 1.00 33.24 H new ATOM 0 HB2 PHE A 37 15.708 -8.288 -1.178 1.00 35.03 H new ATOM 0 HB3 PHE A 37 14.046 -8.829 -1.310 1.00 35.03 H new ATOM 0 HD1 PHE A 37 12.377 -6.929 -0.102 1.00 11.43 H new ATOM 0 HD2 PHE A 37 16.061 -6.212 -2.115 1.00 43.10 H new ATOM 0 HE1 PHE A 37 11.665 -4.627 -0.583 1.00 34.10 H new ATOM 0 HE2 PHE A 37 15.353 -3.909 -2.597 1.00 35.01 H new ATOM 0 HZ PHE A 37 13.153 -3.111 -1.827 1.00 52.13 H new ATOM 614 N ILE A 38 12.653 -9.663 1.264 1.00 20.30 N ATOM 615 CA ILE A 38 11.815 -10.831 1.510 1.00 45.33 C ATOM 616 C ILE A 38 11.027 -11.214 0.262 1.00 0.01 C ATOM 617 O ILE A 38 9.955 -10.669 0.001 1.00 30.01 O ATOM 618 CB ILE A 38 10.832 -10.584 2.669 1.00 21.01 C ATOM 619 CG1 ILE A 38 11.560 -9.957 3.860 1.00 64.12 C ATOM 620 CG2 ILE A 38 10.159 -11.885 3.079 1.00 71.55 C ATOM 621 CD1 ILE A 38 12.698 -10.803 4.386 1.00 63.51 C ATOM 0 H ILE A 38 12.171 -8.769 1.364 1.00 20.30 H new ATOM 0 HA ILE A 38 12.483 -11.649 1.780 1.00 45.33 H new ATOM 0 HB ILE A 38 10.063 -9.890 2.331 1.00 21.01 H new ATOM 0 HG12 ILE A 38 11.949 -8.982 3.566 1.00 64.12 H new ATOM 0 HG13 ILE A 38 10.844 -9.785 4.664 1.00 64.12 H new ATOM 0 HG21 ILE A 38 9.467 -11.694 3.899 1.00 71.55 H new ATOM 0 HG22 ILE A 38 9.611 -12.295 2.230 1.00 71.55 H new ATOM 0 HG23 ILE A 38 10.916 -12.600 3.402 1.00 71.55 H new ATOM 0 HD11 ILE A 38 13.168 -10.297 5.229 1.00 63.51 H new ATOM 0 HD12 ILE A 38 12.313 -11.769 4.712 1.00 63.51 H new ATOM 0 HD13 ILE A 38 13.434 -10.954 3.597 1.00 63.51 H new ATOM 633 N ALA A 39 11.565 -12.157 -0.505 1.00 10.22 N ATOM 634 CA ALA A 39 10.910 -12.616 -1.723 1.00 60.41 C ATOM 635 C ALA A 39 10.363 -14.030 -1.553 1.00 3.31 C ATOM 636 O ALA A 39 11.032 -14.903 -1.001 1.00 24.34 O ATOM 637 CB ALA A 39 11.878 -12.560 -2.896 1.00 31.52 C ATOM 0 H ALA A 39 12.453 -12.618 -0.304 1.00 10.22 H new ATOM 0 HA ALA A 39 10.070 -11.952 -1.927 1.00 60.41 H new ATOM 0 HB1 ALA A 39 11.375 -12.906 -3.799 1.00 31.52 H new ATOM 0 HB2 ALA A 39 12.217 -11.534 -3.039 1.00 31.52 H new ATOM 0 HB3 ALA A 39 12.736 -13.200 -2.691 1.00 31.52 H new ATOM 643 N LYS A 40 9.143 -14.248 -2.030 1.00 74.20 N ATOM 644 CA LYS A 40 8.505 -15.556 -1.932 1.00 11.34 C ATOM 645 C LYS A 40 8.364 -16.197 -3.308 1.00 74.23 C ATOM 646 O LYS A 40 8.366 -15.522 -4.338 1.00 12.44 O ATOM 647 CB LYS A 40 7.129 -15.427 -1.274 1.00 2.23 C ATOM 648 CG LYS A 40 6.332 -14.229 -1.760 1.00 42.20 C ATOM 649 CD LYS A 40 4.919 -14.235 -1.202 1.00 71.50 C ATOM 650 CE LYS A 40 4.147 -12.994 -1.623 1.00 65.23 C ATOM 651 NZ LYS A 40 2.925 -12.794 -0.797 1.00 3.55 N ATOM 0 H LYS A 40 8.575 -13.536 -2.489 1.00 74.20 H new ATOM 0 HA LYS A 40 9.137 -16.196 -1.316 1.00 11.34 H new ATOM 0 HB2 LYS A 40 6.557 -16.335 -1.466 1.00 2.23 H new ATOM 0 HB3 LYS A 40 7.257 -15.353 -0.194 1.00 2.23 H new ATOM 0 HG2 LYS A 40 6.837 -13.310 -1.463 1.00 42.20 H new ATOM 0 HG3 LYS A 40 6.294 -14.234 -2.849 1.00 42.20 H new ATOM 0 HD2 LYS A 40 4.394 -15.126 -1.548 1.00 71.50 H new ATOM 0 HD3 LYS A 40 4.957 -14.289 -0.114 1.00 71.50 H new ATOM 0 HE2 LYS A 40 4.791 -12.119 -1.536 1.00 65.23 H new ATOM 0 HE3 LYS A 40 3.866 -13.080 -2.673 1.00 65.23 H new ATOM 0 HZ1 LYS A 40 2.427 -11.938 -1.115 1.00 3.55 H new ATOM 0 HZ2 LYS A 40 2.298 -13.618 -0.899 1.00 3.55 H new ATOM 0 HZ3 LYS A 40 3.195 -12.686 0.202 1.00 3.55 H new ATOM 665 N PRO A 41 8.236 -17.532 -3.330 1.00 21.22 N ATOM 666 CA PRO A 41 8.089 -18.293 -4.574 1.00 21.40 C ATOM 667 C PRO A 41 6.740 -18.056 -5.243 1.00 54.30 C ATOM 668 O PRO A 41 5.701 -18.052 -4.582 1.00 12.02 O ATOM 669 CB PRO A 41 8.210 -19.749 -4.116 1.00 13.14 C ATOM 670 CG PRO A 41 7.787 -19.732 -2.687 1.00 64.41 C ATOM 671 CD PRO A 41 8.225 -18.401 -2.141 1.00 60.42 C ATOM 0 HA PRO A 41 8.830 -18.003 -5.319 1.00 21.40 H new ATOM 0 HB2 PRO A 41 7.574 -20.405 -4.710 1.00 13.14 H new ATOM 0 HB3 PRO A 41 9.232 -20.114 -4.222 1.00 13.14 H new ATOM 0 HG2 PRO A 41 6.708 -19.854 -2.598 1.00 64.41 H new ATOM 0 HG3 PRO A 41 8.247 -20.551 -2.134 1.00 64.41 H new ATOM 0 HD2 PRO A 41 7.537 -18.033 -1.380 1.00 60.42 H new ATOM 0 HD3 PRO A 41 9.210 -18.461 -1.678 1.00 60.42 H new ATOM 679 N ILE A 42 6.762 -17.858 -6.557 1.00 24.32 N ATOM 680 CA ILE A 42 5.540 -17.622 -7.314 1.00 50.55 C ATOM 681 C ILE A 42 5.184 -18.829 -8.174 1.00 75.52 C ATOM 682 O ILE A 42 4.014 -19.191 -8.301 1.00 4.43 O ATOM 683 CB ILE A 42 5.670 -16.382 -8.219 1.00 54.12 C ATOM 684 CG1 ILE A 42 5.973 -15.140 -7.379 1.00 14.31 C ATOM 685 CG2 ILE A 42 4.398 -16.182 -9.030 1.00 34.53 C ATOM 686 CD1 ILE A 42 6.398 -13.943 -8.201 1.00 23.31 C ATOM 0 H ILE A 42 7.613 -17.856 -7.119 1.00 24.32 H new ATOM 0 HA ILE A 42 4.746 -17.451 -6.587 1.00 50.55 H new ATOM 0 HB ILE A 42 6.497 -16.541 -8.911 1.00 54.12 H new ATOM 0 HG12 ILE A 42 5.087 -14.877 -6.801 1.00 14.31 H new ATOM 0 HG13 ILE A 42 6.761 -15.378 -6.664 1.00 14.31 H new ATOM 0 HG21 ILE A 42 4.505 -15.302 -9.664 1.00 34.53 H new ATOM 0 HG22 ILE A 42 4.222 -17.059 -9.653 1.00 34.53 H new ATOM 0 HG23 ILE A 42 3.554 -16.041 -8.355 1.00 34.53 H new ATOM 0 HD11 ILE A 42 6.596 -13.099 -7.540 1.00 23.31 H new ATOM 0 HD12 ILE A 42 7.302 -14.187 -8.759 1.00 23.31 H new ATOM 0 HD13 ILE A 42 5.602 -13.679 -8.897 1.00 23.31 H new ATOM 769 N PRO A 47 7.710 -18.612 2.219 1.00 41.45 N ATOM 770 CA PRO A 47 8.552 -17.414 2.154 1.00 5.44 C ATOM 771 C PRO A 47 9.944 -17.652 2.731 1.00 13.34 C ATOM 772 O PRO A 47 10.114 -18.437 3.662 1.00 21.55 O ATOM 773 CB PRO A 47 7.788 -16.396 3.005 1.00 73.30 C ATOM 774 CG PRO A 47 6.981 -17.221 3.948 1.00 41.13 C ATOM 775 CD PRO A 47 6.619 -18.472 3.197 1.00 34.52 C ATOM 0 HA PRO A 47 8.721 -17.090 1.127 1.00 5.44 H new ATOM 0 HB2 PRO A 47 8.470 -15.736 3.541 1.00 73.30 H new ATOM 0 HB3 PRO A 47 7.151 -15.763 2.388 1.00 73.30 H new ATOM 0 HG2 PRO A 47 7.551 -17.456 4.847 1.00 41.13 H new ATOM 0 HG3 PRO A 47 6.087 -16.686 4.268 1.00 41.13 H new ATOM 0 HD2 PRO A 47 6.560 -19.335 3.860 1.00 34.52 H new ATOM 0 HD3 PRO A 47 5.650 -18.380 2.707 1.00 34.52 H new ATOM 783 N GLY A 48 10.937 -16.967 2.172 1.00 52.11 N ATOM 784 CA GLY A 48 12.301 -17.118 2.644 1.00 35.05 C ATOM 785 C GLY A 48 13.004 -15.787 2.822 1.00 54.14 C ATOM 786 O GLY A 48 12.390 -14.803 3.237 1.00 44.32 O ATOM 0 H GLY A 48 10.821 -16.310 1.400 1.00 52.11 H new ATOM 0 HA2 GLY A 48 12.296 -17.653 3.594 1.00 35.05 H new ATOM 0 HA3 GLY A 48 12.861 -17.730 1.937 1.00 35.05 H new ATOM 790 N LEU A 49 14.294 -15.755 2.508 1.00 61.10 N ATOM 791 CA LEU A 49 15.083 -14.534 2.636 1.00 33.52 C ATOM 792 C LEU A 49 16.147 -14.457 1.546 1.00 0.23 C ATOM 793 O LEU A 49 16.960 -15.368 1.391 1.00 32.45 O ATOM 794 CB LEU A 49 15.743 -14.473 4.015 1.00 52.32 C ATOM 795 CG LEU A 49 15.570 -13.162 4.783 1.00 24.24 C ATOM 796 CD1 LEU A 49 15.594 -13.416 6.283 1.00 41.53 C ATOM 797 CD2 LEU A 49 16.653 -12.168 4.391 1.00 5.45 C ATOM 0 H LEU A 49 14.816 -16.560 2.163 1.00 61.10 H new ATOM 0 HA LEU A 49 14.412 -13.683 2.523 1.00 33.52 H new ATOM 0 HB2 LEU A 49 15.342 -15.283 4.624 1.00 52.32 H new ATOM 0 HB3 LEU A 49 16.810 -14.662 3.894 1.00 52.32 H new ATOM 0 HG LEU A 49 14.602 -12.735 4.523 1.00 24.24 H new ATOM 0 HD11 LEU A 49 15.470 -12.472 6.814 1.00 41.53 H new ATOM 0 HD12 LEU A 49 14.782 -14.093 6.550 1.00 41.53 H new ATOM 0 HD13 LEU A 49 16.547 -13.866 6.561 1.00 41.53 H new ATOM 0 HD21 LEU A 49 16.514 -11.241 4.947 1.00 5.45 H new ATOM 0 HD22 LEU A 49 17.632 -12.587 4.622 1.00 5.45 H new ATOM 0 HD23 LEU A 49 16.589 -11.963 3.322 1.00 5.45 H new ATOM 809 N VAL A 50 16.138 -13.361 0.794 1.00 14.11 N ATOM 810 CA VAL A 50 17.104 -13.162 -0.279 1.00 60.14 C ATOM 811 C VAL A 50 17.654 -11.740 -0.267 1.00 70.33 C ATOM 812 O VAL A 50 16.915 -10.763 -0.148 1.00 34.11 O ATOM 813 CB VAL A 50 16.478 -13.447 -1.658 1.00 24.13 C ATOM 814 CG1 VAL A 50 15.280 -12.542 -1.898 1.00 34.24 C ATOM 815 CG2 VAL A 50 17.515 -13.276 -2.758 1.00 74.22 C ATOM 0 H VAL A 50 15.472 -12.597 0.908 1.00 14.11 H new ATOM 0 HA VAL A 50 17.919 -13.865 -0.106 1.00 60.14 H new ATOM 0 HB VAL A 50 16.131 -14.480 -1.674 1.00 24.13 H new ATOM 0 HG11 VAL A 50 14.851 -12.758 -2.877 1.00 34.24 H new ATOM 0 HG12 VAL A 50 14.530 -12.718 -1.127 1.00 34.24 H new ATOM 0 HG13 VAL A 50 15.598 -11.500 -1.863 1.00 34.24 H new ATOM 0 HG21 VAL A 50 17.056 -13.481 -3.725 1.00 74.22 H new ATOM 0 HG22 VAL A 50 17.894 -12.254 -2.745 1.00 74.22 H new ATOM 0 HG23 VAL A 50 18.339 -13.970 -2.593 1.00 74.22 H new ATOM 825 N PRO A 51 18.984 -11.619 -0.394 1.00 72.24 N ATOM 826 CA PRO A 51 19.663 -10.320 -0.402 1.00 62.22 C ATOM 827 C PRO A 51 19.371 -9.521 -1.667 1.00 41.24 C ATOM 828 O PRO A 51 19.081 -10.089 -2.720 1.00 63.41 O ATOM 829 CB PRO A 51 21.146 -10.695 -0.337 1.00 31.11 C ATOM 830 CG PRO A 51 21.216 -12.065 -0.917 1.00 60.41 C ATOM 831 CD PRO A 51 19.926 -12.741 -0.541 1.00 4.02 C ATOM 0 HA PRO A 51 19.334 -9.683 0.419 1.00 62.22 H new ATOM 0 HB2 PRO A 51 21.757 -9.993 -0.905 1.00 31.11 H new ATOM 0 HB3 PRO A 51 21.513 -10.680 0.689 1.00 31.11 H new ATOM 0 HG2 PRO A 51 21.334 -12.025 -2.000 1.00 60.41 H new ATOM 0 HG3 PRO A 51 22.072 -12.612 -0.523 1.00 60.41 H new ATOM 0 HD2 PRO A 51 19.600 -13.441 -1.310 1.00 4.02 H new ATOM 0 HD3 PRO A 51 20.024 -13.307 0.385 1.00 4.02 H new ATOM 839 N VAL A 52 19.449 -8.198 -1.558 1.00 25.34 N ATOM 840 CA VAL A 52 19.195 -7.321 -2.694 1.00 10.54 C ATOM 841 C VAL A 52 20.260 -7.493 -3.771 1.00 32.21 C ATOM 842 O VAL A 52 20.036 -7.169 -4.937 1.00 72.22 O ATOM 843 CB VAL A 52 19.152 -5.843 -2.262 1.00 53.42 C ATOM 844 CG1 VAL A 52 18.597 -4.975 -3.382 1.00 63.31 C ATOM 845 CG2 VAL A 52 18.327 -5.682 -0.994 1.00 71.02 C ATOM 0 H VAL A 52 19.686 -7.711 -0.694 1.00 25.34 H new ATOM 0 HA VAL A 52 18.224 -7.603 -3.100 1.00 10.54 H new ATOM 0 HB VAL A 52 20.170 -5.515 -2.050 1.00 53.42 H new ATOM 0 HG11 VAL A 52 18.574 -3.934 -3.059 1.00 63.31 H new ATOM 0 HG12 VAL A 52 19.232 -5.067 -4.263 1.00 63.31 H new ATOM 0 HG13 VAL A 52 17.586 -5.301 -3.628 1.00 63.31 H new ATOM 0 HG21 VAL A 52 18.308 -4.632 -0.703 1.00 71.02 H new ATOM 0 HG22 VAL A 52 17.309 -6.027 -1.176 1.00 71.02 H new ATOM 0 HG23 VAL A 52 18.772 -6.272 -0.193 1.00 71.02 H new ATOM 855 N SER A 53 21.419 -8.006 -3.372 1.00 63.33 N ATOM 856 CA SER A 53 22.521 -8.219 -4.303 1.00 63.53 C ATOM 857 C SER A 53 22.290 -9.473 -5.141 1.00 72.31 C ATOM 858 O SER A 53 23.092 -9.808 -6.013 1.00 50.54 O ATOM 859 CB SER A 53 23.844 -8.337 -3.543 1.00 34.41 C ATOM 860 OG SER A 53 24.492 -7.081 -3.450 1.00 1.14 O ATOM 0 H SER A 53 21.619 -8.282 -2.411 1.00 63.33 H new ATOM 0 HA SER A 53 22.570 -7.360 -4.972 1.00 63.53 H new ATOM 0 HB2 SER A 53 23.659 -8.729 -2.543 1.00 34.41 H new ATOM 0 HB3 SER A 53 24.496 -9.049 -4.049 1.00 34.41 H new ATOM 0 HG SER A 53 25.117 -7.090 -2.695 1.00 1.14 H new ATOM 866 N TYR A 54 21.188 -10.163 -4.870 1.00 35.12 N ATOM 867 CA TYR A 54 20.850 -11.382 -5.596 1.00 3.41 C ATOM 868 C TYR A 54 19.438 -11.302 -6.168 1.00 43.32 C ATOM 869 O TYR A 54 18.807 -12.323 -6.439 1.00 34.10 O ATOM 870 CB TYR A 54 20.972 -12.598 -4.677 1.00 31.31 C ATOM 871 CG TYR A 54 22.401 -12.983 -4.368 1.00 1.04 C ATOM 872 CD1 TYR A 54 23.245 -12.111 -3.690 1.00 73.11 C ATOM 873 CD2 TYR A 54 22.908 -14.218 -4.754 1.00 2.55 C ATOM 874 CE1 TYR A 54 24.551 -12.458 -3.406 1.00 4.21 C ATOM 875 CE2 TYR A 54 24.213 -14.573 -4.472 1.00 60.33 C ATOM 876 CZ TYR A 54 25.031 -13.690 -3.799 1.00 33.14 C ATOM 877 OH TYR A 54 26.332 -14.040 -3.518 1.00 35.32 O ATOM 0 H TYR A 54 20.513 -9.899 -4.152 1.00 35.12 H new ATOM 0 HA TYR A 54 21.552 -11.488 -6.423 1.00 3.41 H new ATOM 0 HB2 TYR A 54 20.450 -12.390 -3.743 1.00 31.31 H new ATOM 0 HB3 TYR A 54 20.469 -13.446 -5.142 1.00 31.31 H new ATOM 0 HD1 TYR A 54 22.873 -11.146 -3.380 1.00 73.11 H new ATOM 0 HD2 TYR A 54 22.271 -14.912 -5.283 1.00 2.55 H new ATOM 0 HE1 TYR A 54 25.193 -11.768 -2.879 1.00 4.21 H new ATOM 0 HE2 TYR A 54 24.591 -15.538 -4.777 1.00 60.33 H new ATOM 0 HH TYR A 54 26.510 -14.940 -3.862 1.00 35.32 H new ATOM 887 N VAL A 55 18.949 -10.079 -6.350 1.00 70.24 N ATOM 888 CA VAL A 55 17.613 -9.863 -6.892 1.00 74.51 C ATOM 889 C VAL A 55 17.538 -8.552 -7.666 1.00 24.11 C ATOM 890 O VAL A 55 18.422 -7.702 -7.553 1.00 14.12 O ATOM 891 CB VAL A 55 16.550 -9.850 -5.777 1.00 5.52 C ATOM 892 CG1 VAL A 55 16.630 -11.122 -4.948 1.00 33.43 C ATOM 893 CG2 VAL A 55 16.718 -8.619 -4.898 1.00 31.55 C ATOM 0 H VAL A 55 19.458 -9.223 -6.130 1.00 70.24 H new ATOM 0 HA VAL A 55 17.409 -10.693 -7.569 1.00 74.51 H new ATOM 0 HB VAL A 55 15.563 -9.808 -6.239 1.00 5.52 H new ATOM 0 HG11 VAL A 55 15.872 -11.095 -4.166 1.00 33.43 H new ATOM 0 HG12 VAL A 55 16.458 -11.986 -5.590 1.00 33.43 H new ATOM 0 HG13 VAL A 55 17.618 -11.199 -4.493 1.00 33.43 H new ATOM 0 HG21 VAL A 55 15.960 -8.625 -4.115 1.00 31.55 H new ATOM 0 HG22 VAL A 55 17.709 -8.629 -4.443 1.00 31.55 H new ATOM 0 HG23 VAL A 55 16.606 -7.721 -5.505 1.00 31.55 H new ATOM 903 N ARG A 56 16.479 -8.394 -8.452 1.00 74.51 N ATOM 904 CA ARG A 56 16.289 -7.186 -9.246 1.00 30.41 C ATOM 905 C ARG A 56 14.861 -6.666 -9.111 1.00 50.21 C ATOM 906 O ARG A 56 13.910 -7.316 -9.546 1.00 15.43 O ATOM 907 CB ARG A 56 16.606 -7.462 -10.717 1.00 30.01 C ATOM 908 CG ARG A 56 16.066 -6.404 -11.665 1.00 34.00 C ATOM 909 CD ARG A 56 16.778 -6.444 -13.008 1.00 52.40 C ATOM 910 NE ARG A 56 16.562 -7.709 -13.705 1.00 10.21 N ATOM 911 CZ ARG A 56 15.484 -7.971 -14.436 1.00 44.41 C ATOM 912 NH1 ARG A 56 14.530 -7.060 -14.566 1.00 12.43 N ATOM 913 NH2 ARG A 56 15.360 -9.146 -15.040 1.00 42.40 N ATOM 0 H ARG A 56 15.739 -9.088 -8.556 1.00 74.51 H new ATOM 0 HA ARG A 56 16.972 -6.424 -8.871 1.00 30.41 H new ATOM 0 HB2 ARG A 56 17.687 -7.531 -10.840 1.00 30.01 H new ATOM 0 HB3 ARG A 56 16.191 -8.431 -10.994 1.00 30.01 H new ATOM 0 HG2 ARG A 56 14.997 -6.559 -11.814 1.00 34.00 H new ATOM 0 HG3 ARG A 56 16.186 -5.417 -11.217 1.00 34.00 H new ATOM 0 HD2 ARG A 56 16.424 -5.622 -13.630 1.00 52.40 H new ATOM 0 HD3 ARG A 56 17.847 -6.292 -12.856 1.00 52.40 H new ATOM 0 HE ARG A 56 17.278 -8.431 -13.626 1.00 10.21 H new ATOM 0 HH11 ARG A 56 14.622 -6.155 -14.104 1.00 12.43 H new ATOM 0 HH12 ARG A 56 13.703 -7.264 -15.128 1.00 12.43 H new ATOM 0 HH21 ARG A 56 16.093 -9.849 -14.943 1.00 42.40 H new ATOM 0 HH22 ARG A 56 14.532 -9.346 -15.601 1.00 42.40 H new ATOM 927 N ILE A 57 14.720 -5.491 -8.506 1.00 74.32 N ATOM 928 CA ILE A 57 13.408 -4.884 -8.315 1.00 23.00 C ATOM 929 C ILE A 57 12.814 -4.429 -9.644 1.00 20.43 C ATOM 930 O ILE A 57 13.452 -3.700 -10.403 1.00 62.14 O ATOM 931 CB ILE A 57 13.480 -3.679 -7.358 1.00 61.15 C ATOM 932 CG1 ILE A 57 14.224 -4.061 -6.077 1.00 44.33 C ATOM 933 CG2 ILE A 57 12.081 -3.176 -7.035 1.00 3.40 C ATOM 934 CD1 ILE A 57 13.523 -5.128 -5.266 1.00 40.50 C ATOM 0 H ILE A 57 15.497 -4.941 -8.140 1.00 74.32 H new ATOM 0 HA ILE A 57 12.767 -5.649 -7.876 1.00 23.00 H new ATOM 0 HB ILE A 57 14.030 -2.876 -7.849 1.00 61.15 H new ATOM 0 HG12 ILE A 57 15.223 -4.412 -6.337 1.00 44.33 H new ATOM 0 HG13 ILE A 57 14.349 -3.171 -5.460 1.00 44.33 H new ATOM 0 HG21 ILE A 57 12.148 -2.324 -6.358 1.00 3.40 H new ATOM 0 HG22 ILE A 57 11.583 -2.870 -7.955 1.00 3.40 H new ATOM 0 HG23 ILE A 57 11.508 -3.973 -6.560 1.00 3.40 H new ATOM 0 HD11 ILE A 57 14.107 -5.348 -4.373 1.00 40.50 H new ATOM 0 HD12 ILE A 57 12.534 -4.773 -4.975 1.00 40.50 H new ATOM 0 HD13 ILE A 57 13.421 -6.033 -5.865 1.00 40.50 H new ATOM 946 N ILE A 58 11.588 -4.864 -9.917 1.00 2.44 N ATOM 947 CA ILE A 58 10.907 -4.499 -11.152 1.00 54.32 C ATOM 948 C ILE A 58 9.414 -4.295 -10.917 1.00 73.41 C ATOM 949 O ILE A 58 8.931 -4.411 -9.790 1.00 71.25 O ATOM 950 CB ILE A 58 11.102 -5.571 -12.241 1.00 1.53 C ATOM 951 CG1 ILE A 58 10.721 -6.951 -11.702 1.00 54.02 C ATOM 952 CG2 ILE A 58 12.541 -5.568 -12.734 1.00 42.33 C ATOM 953 CD1 ILE A 58 10.762 -8.041 -12.750 1.00 54.24 C ATOM 0 H ILE A 58 11.047 -5.469 -9.299 1.00 2.44 H new ATOM 0 HA ILE A 58 11.350 -3.563 -11.492 1.00 54.32 H new ATOM 0 HB ILE A 58 10.449 -5.337 -13.082 1.00 1.53 H new ATOM 0 HG12 ILE A 58 11.398 -7.214 -10.889 1.00 54.02 H new ATOM 0 HG13 ILE A 58 9.718 -6.903 -11.279 1.00 54.02 H new ATOM 0 HG21 ILE A 58 12.664 -6.331 -13.503 1.00 42.33 H new ATOM 0 HG22 ILE A 58 12.781 -4.590 -13.151 1.00 42.33 H new ATOM 0 HG23 ILE A 58 13.211 -5.781 -11.901 1.00 42.33 H new ATOM 0 HD11 ILE A 58 10.481 -8.992 -12.297 1.00 54.24 H new ATOM 0 HD12 ILE A 58 10.065 -7.801 -13.552 1.00 54.24 H new ATOM 0 HD13 ILE A 58 11.770 -8.117 -13.157 1.00 54.24 H new ATOM 965 N ASP A 59 8.688 -3.994 -11.988 1.00 14.42 N ATOM 966 CA ASP A 59 7.248 -3.777 -11.899 1.00 62.12 C ATOM 967 C ASP A 59 6.512 -4.572 -12.973 1.00 60.01 C ATOM 968 O ASP A 59 6.894 -4.556 -14.144 1.00 40.21 O ATOM 969 CB ASP A 59 6.925 -2.289 -12.038 1.00 4.52 C ATOM 970 CG ASP A 59 5.611 -1.917 -11.380 1.00 20.44 C ATOM 971 OD1 ASP A 59 4.834 -2.837 -11.045 1.00 5.44 O ATOM 972 OD2 ASP A 59 5.359 -0.708 -11.199 1.00 3.13 O ATOM 0 H ASP A 59 9.072 -3.895 -12.928 1.00 14.42 H new ATOM 0 HA ASP A 59 6.913 -4.123 -10.921 1.00 62.12 H new ATOM 0 HB2 ASP A 59 7.729 -1.703 -11.593 1.00 4.52 H new ATOM 0 HB3 ASP A 59 6.886 -2.026 -13.095 1.00 4.52 H new ATOM 977 N LEU A 60 5.456 -5.268 -12.567 1.00 54.41 N ATOM 978 CA LEU A 60 4.666 -6.070 -13.494 1.00 73.43 C ATOM 979 C LEU A 60 4.086 -5.204 -14.608 1.00 2.33 C ATOM 980 O LEU A 60 3.743 -5.701 -15.680 1.00 30.13 O ATOM 981 CB LEU A 60 3.537 -6.784 -12.748 1.00 60.01 C ATOM 982 CG LEU A 60 3.968 -7.854 -11.744 1.00 54.02 C ATOM 983 CD1 LEU A 60 2.752 -8.555 -11.157 1.00 4.43 C ATOM 984 CD2 LEU A 60 4.899 -8.861 -12.404 1.00 53.40 C ATOM 0 H LEU A 60 5.127 -5.293 -11.602 1.00 54.41 H new ATOM 0 HA LEU A 60 5.324 -6.814 -13.943 1.00 73.43 H new ATOM 0 HB2 LEU A 60 2.947 -6.035 -12.220 1.00 60.01 H new ATOM 0 HB3 LEU A 60 2.879 -7.248 -13.483 1.00 60.01 H new ATOM 0 HG LEU A 60 4.509 -7.367 -10.933 1.00 54.02 H new ATOM 0 HD11 LEU A 60 3.078 -9.313 -10.445 1.00 4.43 H new ATOM 0 HD12 LEU A 60 2.122 -7.826 -10.648 1.00 4.43 H new ATOM 0 HD13 LEU A 60 2.184 -9.029 -11.957 1.00 4.43 H new ATOM 0 HD21 LEU A 60 5.195 -9.615 -11.675 1.00 53.40 H new ATOM 0 HD22 LEU A 60 4.384 -9.343 -13.235 1.00 53.40 H new ATOM 0 HD23 LEU A 60 5.786 -8.347 -12.776 1.00 53.40 H new ATOM 996 N MET A 61 3.982 -3.905 -14.346 1.00 44.22 N ATOM 997 CA MET A 61 3.448 -2.968 -15.328 1.00 72.41 C ATOM 998 C MET A 61 4.561 -2.409 -16.208 1.00 10.30 C ATOM 999 O MET A 61 4.337 -2.076 -17.372 1.00 61.51 O ATOM 1000 CB MET A 61 2.713 -1.825 -14.626 1.00 53.22 C ATOM 1001 CG MET A 61 1.330 -2.208 -14.125 1.00 20.43 C ATOM 1002 SD MET A 61 0.970 -1.530 -12.494 1.00 11.35 S ATOM 1003 CE MET A 61 1.947 -2.612 -11.453 1.00 74.22 C ATOM 0 H MET A 61 4.260 -3.478 -13.463 1.00 44.22 H new ATOM 0 HA MET A 61 2.745 -3.507 -15.963 1.00 72.41 H new ATOM 0 HB2 MET A 61 3.313 -1.481 -13.784 1.00 53.22 H new ATOM 0 HB3 MET A 61 2.621 -0.986 -15.315 1.00 53.22 H new ATOM 0 HG2 MET A 61 0.581 -1.856 -14.834 1.00 20.43 H new ATOM 0 HG3 MET A 61 1.249 -3.294 -14.089 1.00 20.43 H new ATOM 0 HE1 MET A 61 1.285 -3.268 -10.887 1.00 74.22 H new ATOM 0 HE2 MET A 61 2.610 -3.214 -12.075 1.00 74.22 H new ATOM 0 HE3 MET A 61 2.541 -2.013 -10.763 1.00 74.22 H new ATOM 1013 N ASP A 62 5.760 -2.307 -15.644 1.00 54.24 N ATOM 1014 CA ASP A 62 6.908 -1.788 -16.378 1.00 50.13 C ATOM 1015 C ASP A 62 8.209 -2.373 -15.836 1.00 54.35 C ATOM 1016 O ASP A 62 8.965 -1.713 -15.123 1.00 51.14 O ATOM 1017 CB ASP A 62 6.947 -0.261 -16.294 1.00 74.20 C ATOM 1018 CG ASP A 62 7.595 0.370 -17.510 1.00 65.53 C ATOM 1019 OD1 ASP A 62 8.618 -0.169 -17.983 1.00 74.45 O ATOM 1020 OD2 ASP A 62 7.082 1.403 -17.989 1.00 34.33 O ATOM 0 H ASP A 62 5.962 -2.577 -14.681 1.00 54.24 H new ATOM 0 HA ASP A 62 6.804 -2.084 -17.422 1.00 50.13 H new ATOM 0 HB2 ASP A 62 5.931 0.120 -16.189 1.00 74.20 H new ATOM 0 HB3 ASP A 62 7.494 0.037 -15.399 1.00 74.20 H new ATOM 1025 N PRO A 63 8.476 -3.641 -16.181 1.00 21.23 N ATOM 1026 CA PRO A 63 9.685 -4.343 -15.739 1.00 71.13 C ATOM 1027 C PRO A 63 10.946 -3.795 -16.398 1.00 25.23 C ATOM 1028 O PRO A 63 12.061 -4.125 -15.995 1.00 5.13 O ATOM 1029 CB PRO A 63 9.437 -5.788 -16.179 1.00 74.10 C ATOM 1030 CG PRO A 63 8.489 -5.678 -17.323 1.00 71.33 C ATOM 1031 CD PRO A 63 7.619 -4.488 -17.028 1.00 2.32 C ATOM 0 HA PRO A 63 9.852 -4.232 -14.668 1.00 71.13 H new ATOM 0 HB2 PRO A 63 10.365 -6.275 -16.479 1.00 74.10 H new ATOM 0 HB3 PRO A 63 9.013 -6.381 -15.369 1.00 74.10 H new ATOM 0 HG2 PRO A 63 9.025 -5.546 -18.263 1.00 71.33 H new ATOM 0 HG3 PRO A 63 7.891 -6.584 -17.422 1.00 71.33 H new ATOM 0 HD2 PRO A 63 7.321 -3.972 -17.941 1.00 2.32 H new ATOM 0 HD3 PRO A 63 6.704 -4.777 -16.512 1.00 2.32 H new ATOM 1039 N ALA A 64 10.762 -2.957 -17.412 1.00 45.33 N ATOM 1040 CA ALA A 64 11.886 -2.361 -18.125 1.00 21.34 C ATOM 1041 C ALA A 64 12.239 -0.994 -17.549 1.00 55.20 C ATOM 1042 O ALA A 64 13.223 -0.374 -17.951 1.00 65.22 O ATOM 1043 CB ALA A 64 11.569 -2.246 -19.608 1.00 41.22 C ATOM 0 H ALA A 64 9.845 -2.675 -17.759 1.00 45.33 H new ATOM 0 HA ALA A 64 12.751 -3.013 -18.000 1.00 21.34 H new ATOM 0 HB1 ALA A 64 12.417 -1.799 -20.128 1.00 41.22 H new ATOM 0 HB2 ALA A 64 11.374 -3.238 -20.016 1.00 41.22 H new ATOM 0 HB3 ALA A 64 10.688 -1.618 -19.744 1.00 41.22 H new ATOM 1049 N LYS A 65 11.427 -0.527 -16.606 1.00 24.34 N ATOM 1050 CA LYS A 65 11.653 0.767 -15.973 1.00 50.14 C ATOM 1051 C LYS A 65 12.670 0.650 -14.843 1.00 0.44 C ATOM 1052 O LYS A 65 13.640 1.406 -14.787 1.00 44.31 O ATOM 1053 CB LYS A 65 10.337 1.330 -15.433 1.00 55.45 C ATOM 1054 CG LYS A 65 10.353 2.837 -15.240 1.00 24.21 C ATOM 1055 CD LYS A 65 9.139 3.313 -14.461 1.00 33.51 C ATOM 1056 CE LYS A 65 7.907 3.403 -15.349 1.00 63.11 C ATOM 1057 NZ LYS A 65 7.638 4.802 -15.784 1.00 24.42 N ATOM 0 H LYS A 65 10.606 -1.026 -16.263 1.00 24.34 H new ATOM 0 HA LYS A 65 12.050 1.447 -16.726 1.00 50.14 H new ATOM 0 HB2 LYS A 65 9.531 1.069 -16.119 1.00 55.45 H new ATOM 0 HB3 LYS A 65 10.111 0.852 -14.479 1.00 55.45 H new ATOM 0 HG2 LYS A 65 11.262 3.127 -14.712 1.00 24.21 H new ATOM 0 HG3 LYS A 65 10.378 3.329 -16.212 1.00 24.21 H new ATOM 0 HD2 LYS A 65 8.944 2.629 -13.635 1.00 33.51 H new ATOM 0 HD3 LYS A 65 9.346 4.290 -14.024 1.00 33.51 H new ATOM 0 HE2 LYS A 65 8.044 2.770 -16.226 1.00 63.11 H new ATOM 0 HE3 LYS A 65 7.042 3.018 -14.810 1.00 63.11 H new ATOM 0 HZ1 LYS A 65 6.791 4.821 -16.387 1.00 24.42 H new ATOM 0 HZ2 LYS A 65 7.482 5.401 -14.949 1.00 24.42 H new ATOM 0 HZ3 LYS A 65 8.453 5.162 -16.321 1.00 24.42 H new ATOM 1071 N TYR A 66 12.442 -0.301 -13.944 1.00 64.34 N ATOM 1072 CA TYR A 66 13.339 -0.516 -12.814 1.00 54.05 C ATOM 1073 C TYR A 66 14.284 -1.683 -13.083 1.00 34.32 C ATOM 1074 O TYR A 66 14.808 -2.298 -12.154 1.00 51.15 O ATOM 1075 CB TYR A 66 12.533 -0.779 -11.541 1.00 25.32 C ATOM 1076 CG TYR A 66 11.673 0.389 -11.116 1.00 1.11 C ATOM 1077 CD1 TYR A 66 10.421 0.596 -11.681 1.00 14.42 C ATOM 1078 CD2 TYR A 66 12.113 1.286 -10.150 1.00 52.35 C ATOM 1079 CE1 TYR A 66 9.631 1.663 -11.296 1.00 62.12 C ATOM 1080 CE2 TYR A 66 11.330 2.355 -9.759 1.00 34.33 C ATOM 1081 CZ TYR A 66 10.090 2.539 -10.335 1.00 31.14 C ATOM 1082 OH TYR A 66 9.307 3.603 -9.948 1.00 63.21 O ATOM 0 H TYR A 66 11.644 -0.935 -13.976 1.00 64.34 H new ATOM 0 HA TYR A 66 13.936 0.386 -12.678 1.00 54.05 H new ATOM 0 HB2 TYR A 66 11.896 -1.650 -11.698 1.00 25.32 H new ATOM 0 HB3 TYR A 66 13.219 -1.027 -10.731 1.00 25.32 H new ATOM 0 HD1 TYR A 66 10.059 -0.088 -12.434 1.00 14.42 H new ATOM 0 HD2 TYR A 66 13.083 1.145 -9.697 1.00 52.35 H new ATOM 0 HE1 TYR A 66 8.660 1.810 -11.745 1.00 62.12 H new ATOM 0 HE2 TYR A 66 11.687 3.043 -9.007 1.00 34.33 H new ATOM 0 HH TYR A 66 8.685 3.314 -9.248 1.00 63.21 H new ATOM 1092 N ALA A 67 14.496 -1.982 -14.360 1.00 62.31 N ATOM 1093 CA ALA A 67 15.379 -3.073 -14.752 1.00 65.44 C ATOM 1094 C ALA A 67 16.825 -2.599 -14.857 1.00 51.00 C ATOM 1095 O ALA A 67 17.757 -3.400 -14.796 1.00 63.43 O ATOM 1096 CB ALA A 67 14.922 -3.674 -16.074 1.00 1.34 C ATOM 0 H ALA A 67 14.068 -1.484 -15.141 1.00 62.31 H new ATOM 0 HA ALA A 67 15.331 -3.841 -13.980 1.00 65.44 H new ATOM 0 HB1 ALA A 67 15.591 -4.488 -16.354 1.00 1.34 H new ATOM 0 HB2 ALA A 67 13.908 -4.058 -15.968 1.00 1.34 H new ATOM 0 HB3 ALA A 67 14.940 -2.907 -16.848 1.00 1.34 H new ATOM 1102 N SER A 68 17.004 -1.291 -15.015 1.00 72.43 N ATOM 1103 CA SER A 68 18.336 -0.711 -15.133 1.00 42.21 C ATOM 1104 C SER A 68 18.858 -0.267 -13.770 1.00 20.43 C ATOM 1105 O SER A 68 20.064 -0.116 -13.573 1.00 32.13 O ATOM 1106 CB SER A 68 18.314 0.479 -16.095 1.00 21.32 C ATOM 1107 OG SER A 68 19.426 1.330 -15.879 1.00 23.12 O ATOM 0 H SER A 68 16.243 -0.614 -15.064 1.00 72.43 H new ATOM 0 HA SER A 68 19.005 -1.476 -15.527 1.00 42.21 H new ATOM 0 HB2 SER A 68 18.322 0.119 -17.124 1.00 21.32 H new ATOM 0 HB3 SER A 68 17.390 1.042 -15.961 1.00 21.32 H new ATOM 0 HG SER A 68 19.390 2.082 -16.507 1.00 23.12 H new ATOM 1113 N VAL A 69 17.940 -0.060 -12.831 1.00 23.55 N ATOM 1114 CA VAL A 69 18.306 0.365 -11.485 1.00 20.43 C ATOM 1115 C VAL A 69 19.379 -0.543 -10.894 1.00 71.31 C ATOM 1116 O VAL A 69 19.476 -1.718 -11.248 1.00 71.51 O ATOM 1117 CB VAL A 69 17.084 0.374 -10.547 1.00 72.34 C ATOM 1118 CG1 VAL A 69 16.612 -1.046 -10.271 1.00 3.33 C ATOM 1119 CG2 VAL A 69 17.413 1.097 -9.250 1.00 40.34 C ATOM 0 H VAL A 69 16.938 -0.180 -12.978 1.00 23.55 H new ATOM 0 HA VAL A 69 18.698 1.379 -11.569 1.00 20.43 H new ATOM 0 HB VAL A 69 16.274 0.911 -11.040 1.00 72.34 H new ATOM 0 HG11 VAL A 69 15.748 -1.020 -9.607 1.00 3.33 H new ATOM 0 HG12 VAL A 69 16.334 -1.526 -11.209 1.00 3.33 H new ATOM 0 HG13 VAL A 69 17.416 -1.611 -9.799 1.00 3.33 H new ATOM 0 HG21 VAL A 69 16.538 1.094 -8.600 1.00 40.34 H new ATOM 0 HG22 VAL A 69 18.239 0.590 -8.750 1.00 40.34 H new ATOM 0 HG23 VAL A 69 17.698 2.126 -9.469 1.00 40.34 H new ATOM 1129 N ASP A 70 20.182 0.009 -9.992 1.00 4.01 N ATOM 1130 CA ASP A 70 21.248 -0.751 -9.350 1.00 24.30 C ATOM 1131 C ASP A 70 20.865 -1.126 -7.922 1.00 13.43 C ATOM 1132 O ASP A 70 21.112 -0.369 -6.982 1.00 23.32 O ATOM 1133 CB ASP A 70 22.548 0.054 -9.348 1.00 4.45 C ATOM 1134 CG ASP A 70 22.942 0.522 -10.735 1.00 2.22 C ATOM 1135 OD1 ASP A 70 22.454 -0.069 -11.720 1.00 42.25 O ATOM 1136 OD2 ASP A 70 23.739 1.479 -10.835 1.00 22.22 O ATOM 0 H ASP A 70 20.115 0.981 -9.688 1.00 4.01 H new ATOM 0 HA ASP A 70 21.399 -1.668 -9.919 1.00 24.30 H new ATOM 0 HB2 ASP A 70 22.435 0.919 -8.694 1.00 4.45 H new ATOM 0 HB3 ASP A 70 23.349 -0.557 -8.933 1.00 4.45 H new ATOM 1141 N THR A 71 20.257 -2.298 -7.765 1.00 41.23 N ATOM 1142 CA THR A 71 19.837 -2.772 -6.453 1.00 11.33 C ATOM 1143 C THR A 71 20.985 -2.708 -5.452 1.00 12.13 C ATOM 1144 O THR A 71 20.778 -2.421 -4.272 1.00 73.33 O ATOM 1145 CB THR A 71 19.309 -4.217 -6.520 1.00 21.22 C ATOM 1146 OG1 THR A 71 19.706 -4.827 -7.753 1.00 51.22 O ATOM 1147 CG2 THR A 71 17.793 -4.246 -6.399 1.00 11.22 C ATOM 0 H THR A 71 20.045 -2.937 -8.532 1.00 41.23 H new ATOM 0 HA THR A 71 19.033 -2.115 -6.122 1.00 11.33 H new ATOM 0 HB THR A 71 19.735 -4.775 -5.686 1.00 21.22 H new ATOM 0 HG1 THR A 71 19.029 -5.480 -8.028 1.00 51.22 H new ATOM 0 HG21 THR A 71 17.444 -5.277 -6.449 1.00 11.22 H new ATOM 0 HG22 THR A 71 17.496 -3.808 -5.446 1.00 11.22 H new ATOM 0 HG23 THR A 71 17.352 -3.674 -7.215 1.00 11.22 H new ATOM 1155 N TYR A 72 22.195 -2.976 -5.929 1.00 1.11 N ATOM 1156 CA TYR A 72 23.376 -2.950 -5.075 1.00 24.54 C ATOM 1157 C TYR A 72 23.546 -1.583 -4.420 1.00 41.21 C ATOM 1158 O TYR A 72 23.837 -1.484 -3.228 1.00 34.52 O ATOM 1159 CB TYR A 72 24.626 -3.299 -5.886 1.00 13.34 C ATOM 1160 CG TYR A 72 25.919 -3.045 -5.145 1.00 10.53 C ATOM 1161 CD1 TYR A 72 26.074 -3.440 -3.822 1.00 2.01 C ATOM 1162 CD2 TYR A 72 26.986 -2.410 -5.768 1.00 42.51 C ATOM 1163 CE1 TYR A 72 27.254 -3.209 -3.141 1.00 72.00 C ATOM 1164 CE2 TYR A 72 28.170 -2.176 -5.095 1.00 41.34 C ATOM 1165 CZ TYR A 72 28.299 -2.577 -3.782 1.00 53.20 C ATOM 1166 OH TYR A 72 29.476 -2.346 -3.108 1.00 31.23 O ATOM 0 H TYR A 72 22.384 -3.214 -6.903 1.00 1.11 H new ATOM 0 HA TYR A 72 23.241 -3.694 -4.290 1.00 24.54 H new ATOM 0 HB2 TYR A 72 24.581 -4.350 -6.172 1.00 13.34 H new ATOM 0 HB3 TYR A 72 24.625 -2.717 -6.808 1.00 13.34 H new ATOM 0 HD1 TYR A 72 25.258 -3.936 -3.317 1.00 2.01 H new ATOM 0 HD2 TYR A 72 26.888 -2.094 -6.796 1.00 42.51 H new ATOM 0 HE1 TYR A 72 27.357 -3.522 -2.112 1.00 72.00 H new ATOM 0 HE2 TYR A 72 28.990 -1.682 -5.595 1.00 41.34 H new ATOM 0 HH TYR A 72 30.110 -1.893 -3.702 1.00 31.23 H new ATOM 1176 N ASP A 73 23.362 -0.530 -5.209 1.00 61.01 N ATOM 1177 CA ASP A 73 23.493 0.833 -4.708 1.00 13.22 C ATOM 1178 C ASP A 73 22.435 1.126 -3.648 1.00 41.11 C ATOM 1179 O ASP A 73 21.253 1.267 -3.960 1.00 15.52 O ATOM 1180 CB ASP A 73 23.373 1.836 -5.857 1.00 35.52 C ATOM 1181 CG ASP A 73 24.698 2.083 -6.550 1.00 11.42 C ATOM 1182 OD1 ASP A 73 25.518 2.853 -6.006 1.00 33.34 O ATOM 1183 OD2 ASP A 73 24.916 1.507 -7.636 1.00 52.40 O ATOM 0 H ASP A 73 23.122 -0.594 -6.198 1.00 61.01 H new ATOM 0 HA ASP A 73 24.477 0.933 -4.251 1.00 13.22 H new ATOM 0 HB2 ASP A 73 22.649 1.467 -6.584 1.00 35.52 H new ATOM 0 HB3 ASP A 73 22.986 2.780 -5.473 1.00 35.52 H new ATOM 1188 N ARG A 74 22.869 1.215 -2.395 1.00 70.21 N ATOM 1189 CA ARG A 74 21.959 1.488 -1.289 1.00 43.41 C ATOM 1190 C ARG A 74 21.117 2.729 -1.572 1.00 75.54 C ATOM 1191 O ARG A 74 19.992 2.850 -1.088 1.00 21.13 O ATOM 1192 CB ARG A 74 22.744 1.678 0.010 1.00 4.20 C ATOM 1193 CG ARG A 74 23.463 3.014 0.098 1.00 44.55 C ATOM 1194 CD ARG A 74 24.664 3.063 -0.834 1.00 63.01 C ATOM 1195 NE ARG A 74 25.540 1.908 -0.658 1.00 63.35 N ATOM 1196 CZ ARG A 74 26.366 1.761 0.372 1.00 14.00 C ATOM 1197 NH1 ARG A 74 26.427 2.692 1.314 1.00 32.22 N ATOM 1198 NH2 ARG A 74 27.131 0.681 0.462 1.00 45.22 N ATOM 0 H ARG A 74 23.845 1.102 -2.120 1.00 70.21 H new ATOM 0 HA ARG A 74 21.292 0.633 -1.181 1.00 43.41 H new ATOM 0 HB2 ARG A 74 22.060 1.587 0.854 1.00 4.20 H new ATOM 0 HB3 ARG A 74 23.475 0.875 0.103 1.00 4.20 H new ATOM 0 HG2 ARG A 74 22.772 3.818 -0.155 1.00 44.55 H new ATOM 0 HG3 ARG A 74 23.790 3.186 1.124 1.00 44.55 H new ATOM 0 HD2 ARG A 74 24.320 3.103 -1.867 1.00 63.01 H new ATOM 0 HD3 ARG A 74 25.228 3.977 -0.651 1.00 63.01 H new ATOM 0 HE ARG A 74 25.516 1.173 -1.365 1.00 63.35 H new ATOM 0 HH11 ARG A 74 25.839 3.523 1.249 1.00 32.22 H new ATOM 0 HH12 ARG A 74 27.062 2.577 2.104 1.00 32.22 H new ATOM 0 HH21 ARG A 74 27.085 -0.038 -0.260 1.00 45.22 H new ATOM 0 HH22 ARG A 74 27.765 0.569 1.253 1.00 45.22 H new ATOM 1212 N GLU A 75 21.669 3.646 -2.360 1.00 1.12 N ATOM 1213 CA GLU A 75 20.968 4.877 -2.706 1.00 1.12 C ATOM 1214 C GLU A 75 19.748 4.583 -3.574 1.00 31.34 C ATOM 1215 O GLU A 75 18.630 4.976 -3.243 1.00 52.51 O ATOM 1216 CB GLU A 75 21.908 5.837 -3.438 1.00 3.25 C ATOM 1217 CG GLU A 75 22.547 6.874 -2.529 1.00 24.22 C ATOM 1218 CD GLU A 75 23.282 7.953 -3.301 1.00 33.13 C ATOM 1219 OE1 GLU A 75 22.835 8.291 -4.417 1.00 10.10 O ATOM 1220 OE2 GLU A 75 24.302 8.459 -2.789 1.00 63.24 O ATOM 0 H GLU A 75 22.599 3.560 -2.771 1.00 1.12 H new ATOM 0 HA GLU A 75 20.631 5.345 -1.781 1.00 1.12 H new ATOM 0 HB2 GLU A 75 22.694 5.261 -3.927 1.00 3.25 H new ATOM 0 HB3 GLU A 75 21.352 6.348 -4.224 1.00 3.25 H new ATOM 0 HG2 GLU A 75 21.776 7.335 -1.912 1.00 24.22 H new ATOM 0 HG3 GLU A 75 23.243 6.379 -1.852 1.00 24.22 H new ATOM 1227 N GLN A 76 19.973 3.889 -4.685 1.00 33.34 N ATOM 1228 CA GLN A 76 18.892 3.543 -5.601 1.00 22.15 C ATOM 1229 C GLN A 76 17.830 2.704 -4.897 1.00 62.15 C ATOM 1230 O GLN A 76 16.653 3.064 -4.876 1.00 3.31 O ATOM 1231 CB GLN A 76 19.443 2.783 -6.808 1.00 73.43 C ATOM 1232 CG GLN A 76 20.540 3.530 -7.549 1.00 20.30 C ATOM 1233 CD GLN A 76 20.312 3.566 -9.047 1.00 43.23 C ATOM 1234 OE1 GLN A 76 19.200 3.818 -9.512 1.00 20.21 O ATOM 1235 NE2 GLN A 76 21.368 3.315 -9.813 1.00 74.21 N ATOM 0 H GLN A 76 20.893 3.555 -4.973 1.00 33.34 H new ATOM 0 HA GLN A 76 18.429 4.468 -5.944 1.00 22.15 H new ATOM 0 HB2 GLN A 76 19.832 1.821 -6.474 1.00 73.43 H new ATOM 0 HB3 GLN A 76 18.626 2.574 -7.499 1.00 73.43 H new ATOM 0 HG2 GLN A 76 20.600 4.550 -7.170 1.00 20.30 H new ATOM 0 HG3 GLN A 76 21.500 3.057 -7.343 1.00 20.30 H new ATOM 0 HE21 GLN A 76 22.271 3.111 -9.385 1.00 74.21 H new ATOM 0 HE22 GLN A 76 21.276 3.327 -10.829 1.00 74.21 H new ATOM 1244 N VAL A 77 18.254 1.582 -4.323 1.00 54.23 N ATOM 1245 CA VAL A 77 17.339 0.692 -3.618 1.00 62.25 C ATOM 1246 C VAL A 77 16.544 1.447 -2.559 1.00 63.21 C ATOM 1247 O VAL A 77 15.393 1.115 -2.279 1.00 52.12 O ATOM 1248 CB VAL A 77 18.094 -0.471 -2.947 1.00 0.44 C ATOM 1249 CG1 VAL A 77 18.763 -0.002 -1.663 1.00 74.41 C ATOM 1250 CG2 VAL A 77 17.149 -1.631 -2.673 1.00 24.12 C ATOM 0 H VAL A 77 19.224 1.268 -4.332 1.00 54.23 H new ATOM 0 HA VAL A 77 16.653 0.288 -4.363 1.00 62.25 H new ATOM 0 HB VAL A 77 18.871 -0.819 -3.628 1.00 0.44 H new ATOM 0 HG11 VAL A 77 19.292 -0.837 -1.202 1.00 74.41 H new ATOM 0 HG12 VAL A 77 19.471 0.794 -1.892 1.00 74.41 H new ATOM 0 HG13 VAL A 77 18.006 0.373 -0.974 1.00 74.41 H new ATOM 0 HG21 VAL A 77 17.699 -2.444 -2.199 1.00 24.12 H new ATOM 0 HG22 VAL A 77 16.349 -1.300 -2.011 1.00 24.12 H new ATOM 0 HG23 VAL A 77 16.721 -1.982 -3.612 1.00 24.12 H new ATOM 1260 N MET A 78 17.167 2.464 -1.973 1.00 40.44 N ATOM 1261 CA MET A 78 16.516 3.268 -0.945 1.00 44.32 C ATOM 1262 C MET A 78 15.364 4.076 -1.535 1.00 21.45 C ATOM 1263 O MET A 78 14.231 3.998 -1.059 1.00 1.21 O ATOM 1264 CB MET A 78 17.528 4.208 -0.286 1.00 61.12 C ATOM 1265 CG MET A 78 18.106 3.665 1.011 1.00 42.23 C ATOM 1266 SD MET A 78 19.156 4.862 1.858 1.00 53.03 S ATOM 1267 CE MET A 78 20.783 4.255 1.420 1.00 51.23 C ATOM 0 H MET A 78 18.121 2.751 -2.192 1.00 40.44 H new ATOM 0 HA MET A 78 16.114 2.592 -0.191 1.00 44.32 H new ATOM 0 HB2 MET A 78 18.342 4.400 -0.985 1.00 61.12 H new ATOM 0 HB3 MET A 78 17.046 5.165 -0.087 1.00 61.12 H new ATOM 0 HG2 MET A 78 17.291 3.370 1.672 1.00 42.23 H new ATOM 0 HG3 MET A 78 18.685 2.766 0.798 1.00 42.23 H new ATOM 0 HE1 MET A 78 21.487 4.493 2.217 1.00 51.23 H new ATOM 0 HE2 MET A 78 20.743 3.174 1.282 1.00 51.23 H new ATOM 0 HE3 MET A 78 21.110 4.727 0.494 1.00 51.23 H new ATOM 1277 N LYS A 79 15.660 4.850 -2.572 1.00 44.54 N ATOM 1278 CA LYS A 79 14.650 5.672 -3.228 1.00 34.21 C ATOM 1279 C LYS A 79 13.474 4.819 -3.694 1.00 60.20 C ATOM 1280 O LYS A 79 12.320 5.242 -3.619 1.00 21.24 O ATOM 1281 CB LYS A 79 15.260 6.413 -4.420 1.00 14.24 C ATOM 1282 CG LYS A 79 15.956 7.708 -4.039 1.00 0.15 C ATOM 1283 CD LYS A 79 17.467 7.547 -4.029 1.00 71.10 C ATOM 1284 CE LYS A 79 18.171 8.873 -4.271 1.00 54.41 C ATOM 1285 NZ LYS A 79 17.932 9.384 -5.650 1.00 5.15 N ATOM 0 H LYS A 79 16.593 4.926 -2.978 1.00 44.54 H new ATOM 0 HA LYS A 79 14.284 6.400 -2.504 1.00 34.21 H new ATOM 0 HB2 LYS A 79 15.976 5.758 -4.917 1.00 14.24 H new ATOM 0 HB3 LYS A 79 14.474 6.632 -5.142 1.00 14.24 H new ATOM 0 HG2 LYS A 79 15.677 8.492 -4.743 1.00 0.15 H new ATOM 0 HG3 LYS A 79 15.617 8.028 -3.054 1.00 0.15 H new ATOM 0 HD2 LYS A 79 17.784 7.135 -3.071 1.00 71.10 H new ATOM 0 HD3 LYS A 79 17.763 6.832 -4.796 1.00 71.10 H new ATOM 0 HE2 LYS A 79 17.821 9.608 -3.546 1.00 54.41 H new ATOM 0 HE3 LYS A 79 19.242 8.750 -4.110 1.00 54.41 H new ATOM 0 HZ1 LYS A 79 18.713 10.013 -5.927 1.00 5.15 H new ATOM 0 HZ2 LYS A 79 17.880 8.584 -6.312 1.00 5.15 H new ATOM 0 HZ3 LYS A 79 17.037 9.912 -5.674 1.00 5.15 H new ATOM 1299 N ILE A 80 13.775 3.617 -4.174 1.00 33.22 N ATOM 1300 CA ILE A 80 12.742 2.704 -4.649 1.00 41.42 C ATOM 1301 C ILE A 80 11.844 2.246 -3.505 1.00 40.50 C ATOM 1302 O ILE A 80 10.621 2.368 -3.576 1.00 13.41 O ATOM 1303 CB ILE A 80 13.355 1.468 -5.333 1.00 33.34 C ATOM 1304 CG1 ILE A 80 14.197 1.889 -6.539 1.00 12.14 C ATOM 1305 CG2 ILE A 80 12.260 0.500 -5.756 1.00 71.13 C ATOM 1306 CD1 ILE A 80 15.059 0.776 -7.092 1.00 3.32 C ATOM 0 H ILE A 80 14.725 3.253 -4.244 1.00 33.22 H new ATOM 0 HA ILE A 80 12.146 3.254 -5.377 1.00 41.42 H new ATOM 0 HB ILE A 80 14.005 0.962 -4.620 1.00 33.34 H new ATOM 0 HG12 ILE A 80 13.535 2.250 -7.326 1.00 12.14 H new ATOM 0 HG13 ILE A 80 14.836 2.724 -6.252 1.00 12.14 H new ATOM 0 HG21 ILE A 80 12.709 -0.369 -6.238 1.00 71.13 H new ATOM 0 HG22 ILE A 80 11.699 0.179 -4.878 1.00 71.13 H new ATOM 0 HG23 ILE A 80 11.587 0.996 -6.455 1.00 71.13 H new ATOM 0 HD11 ILE A 80 15.628 1.146 -7.945 1.00 3.32 H new ATOM 0 HD12 ILE A 80 15.746 0.430 -6.320 1.00 3.32 H new ATOM 0 HD13 ILE A 80 14.425 -0.051 -7.410 1.00 3.32 H new ATOM 1318 N ILE A 81 12.459 1.721 -2.451 1.00 44.11 N ATOM 1319 CA ILE A 81 11.716 1.248 -1.290 1.00 73.23 C ATOM 1320 C ILE A 81 10.945 2.386 -0.630 1.00 22.13 C ATOM 1321 O ILE A 81 9.834 2.192 -0.136 1.00 2.51 O ATOM 1322 CB ILE A 81 12.649 0.602 -0.249 1.00 13.11 C ATOM 1323 CG1 ILE A 81 13.320 -0.642 -0.835 1.00 51.31 C ATOM 1324 CG2 ILE A 81 11.872 0.248 1.010 1.00 21.34 C ATOM 1325 CD1 ILE A 81 14.438 -1.188 0.026 1.00 54.53 C ATOM 0 H ILE A 81 13.471 1.612 -2.377 1.00 44.11 H new ATOM 0 HA ILE A 81 11.013 0.497 -1.650 1.00 73.23 H new ATOM 0 HB ILE A 81 13.426 1.319 0.016 1.00 13.11 H new ATOM 0 HG12 ILE A 81 12.568 -1.418 -0.975 1.00 51.31 H new ATOM 0 HG13 ILE A 81 13.717 -0.401 -1.821 1.00 51.31 H new ATOM 0 HG21 ILE A 81 12.545 -0.208 1.737 1.00 21.34 H new ATOM 0 HG22 ILE A 81 11.437 1.152 1.435 1.00 21.34 H new ATOM 0 HG23 ILE A 81 11.077 -0.455 0.761 1.00 21.34 H new ATOM 0 HD11 ILE A 81 14.868 -2.069 -0.451 1.00 54.53 H new ATOM 0 HD12 ILE A 81 15.210 -0.428 0.146 1.00 54.53 H new ATOM 0 HD13 ILE A 81 14.043 -1.461 1.005 1.00 54.53 H new ATOM 1337 N ASP A 82 11.542 3.573 -0.626 1.00 32.20 N ATOM 1338 CA ASP A 82 10.911 4.744 -0.029 1.00 34.13 C ATOM 1339 C ASP A 82 9.733 5.217 -0.875 1.00 12.23 C ATOM 1340 O ASP A 82 8.645 5.466 -0.356 1.00 40.23 O ATOM 1341 CB ASP A 82 11.929 5.874 0.128 1.00 51.30 C ATOM 1342 CG ASP A 82 11.347 7.085 0.831 1.00 33.42 C ATOM 1343 OD1 ASP A 82 10.190 7.002 1.296 1.00 42.13 O ATOM 1344 OD2 ASP A 82 12.048 8.114 0.918 1.00 51.11 O ATOM 0 H ASP A 82 12.462 3.749 -1.030 1.00 32.20 H new ATOM 0 HA ASP A 82 10.538 4.463 0.956 1.00 34.13 H new ATOM 0 HB2 ASP A 82 12.788 5.509 0.691 1.00 51.30 H new ATOM 0 HB3 ASP A 82 12.294 6.169 -0.856 1.00 51.30 H new ATOM 1349 N GLU A 83 9.959 5.340 -2.179 1.00 71.20 N ATOM 1350 CA GLU A 83 8.916 5.785 -3.096 1.00 1.32 C ATOM 1351 C GLU A 83 7.731 4.824 -3.080 1.00 40.04 C ATOM 1352 O GLU A 83 6.589 5.232 -2.868 1.00 50.24 O ATOM 1353 CB GLU A 83 9.472 5.904 -4.516 1.00 51.44 C ATOM 1354 CG GLU A 83 10.372 7.111 -4.718 1.00 45.45 C ATOM 1355 CD GLU A 83 11.165 7.039 -6.009 1.00 73.44 C ATOM 1356 OE1 GLU A 83 12.181 6.314 -6.041 1.00 5.04 O ATOM 1357 OE2 GLU A 83 10.769 7.706 -6.988 1.00 35.33 O ATOM 0 H GLU A 83 10.854 5.138 -2.624 1.00 71.20 H new ATOM 0 HA GLU A 83 8.571 6.765 -2.766 1.00 1.32 H new ATOM 0 HB2 GLU A 83 10.032 5.000 -4.755 1.00 51.44 H new ATOM 0 HB3 GLU A 83 8.641 5.959 -5.219 1.00 51.44 H new ATOM 0 HG2 GLU A 83 9.765 8.016 -4.719 1.00 45.45 H new ATOM 0 HG3 GLU A 83 11.061 7.191 -3.877 1.00 45.45 H new ATOM 1364 N PHE A 84 8.011 3.545 -3.307 1.00 43.03 N ATOM 1365 CA PHE A 84 6.969 2.525 -3.321 1.00 64.14 C ATOM 1366 C PHE A 84 6.405 2.304 -1.921 1.00 4.22 C ATOM 1367 O PHE A 84 5.377 1.650 -1.749 1.00 14.00 O ATOM 1368 CB PHE A 84 7.521 1.209 -3.874 1.00 45.33 C ATOM 1369 CG PHE A 84 7.699 1.214 -5.366 1.00 23.43 C ATOM 1370 CD1 PHE A 84 8.581 2.096 -5.969 1.00 70.31 C ATOM 1371 CD2 PHE A 84 6.984 0.336 -6.164 1.00 63.43 C ATOM 1372 CE1 PHE A 84 8.747 2.102 -7.341 1.00 43.03 C ATOM 1373 CE2 PHE A 84 7.147 0.337 -7.537 1.00 33.02 C ATOM 1374 CZ PHE A 84 8.028 1.222 -8.126 1.00 43.01 C ATOM 0 H PHE A 84 8.951 3.190 -3.484 1.00 43.03 H new ATOM 0 HA PHE A 84 6.163 2.874 -3.967 1.00 64.14 H new ATOM 0 HB2 PHE A 84 8.481 1.000 -3.402 1.00 45.33 H new ATOM 0 HB3 PHE A 84 6.847 0.397 -3.599 1.00 45.33 H new ATOM 0 HD1 PHE A 84 9.145 2.787 -5.360 1.00 70.31 H new ATOM 0 HD2 PHE A 84 6.292 -0.357 -5.709 1.00 63.43 H new ATOM 0 HE1 PHE A 84 9.438 2.794 -7.799 1.00 43.03 H new ATOM 0 HE2 PHE A 84 6.586 -0.354 -8.148 1.00 33.02 H new ATOM 0 HZ PHE A 84 8.155 1.226 -9.199 1.00 43.01 H new ATOM 1384 N LYS A 85 7.087 2.854 -0.922 1.00 10.23 N ATOM 1385 CA LYS A 85 6.656 2.720 0.465 1.00 72.43 C ATOM 1386 C LYS A 85 6.570 1.251 0.868 1.00 71.15 C ATOM 1387 O LYS A 85 5.532 0.787 1.340 1.00 12.34 O ATOM 1388 CB LYS A 85 5.297 3.395 0.666 1.00 63.13 C ATOM 1389 CG LYS A 85 5.340 4.905 0.511 1.00 1.33 C ATOM 1390 CD LYS A 85 5.743 5.587 1.808 1.00 11.21 C ATOM 1391 CE LYS A 85 5.284 7.037 1.841 1.00 31.14 C ATOM 1392 NZ LYS A 85 5.808 7.757 3.035 1.00 40.44 N ATOM 0 H LYS A 85 7.941 3.397 -1.047 1.00 10.23 H new ATOM 0 HA LYS A 85 7.396 3.210 1.098 1.00 72.43 H new ATOM 0 HB2 LYS A 85 4.587 2.984 -0.052 1.00 63.13 H new ATOM 0 HB3 LYS A 85 4.923 3.151 1.660 1.00 63.13 H new ATOM 0 HG2 LYS A 85 6.046 5.171 -0.276 1.00 1.33 H new ATOM 0 HG3 LYS A 85 4.361 5.268 0.197 1.00 1.33 H new ATOM 0 HD2 LYS A 85 5.313 5.049 2.652 1.00 11.21 H new ATOM 0 HD3 LYS A 85 6.826 5.544 1.921 1.00 11.21 H new ATOM 0 HE2 LYS A 85 5.617 7.544 0.936 1.00 31.14 H new ATOM 0 HE3 LYS A 85 4.195 7.073 1.844 1.00 31.14 H new ATOM 0 HZ1 LYS A 85 5.473 8.742 3.021 1.00 40.44 H new ATOM 0 HZ2 LYS A 85 5.469 7.288 3.899 1.00 40.44 H new ATOM 0 HZ3 LYS A 85 6.848 7.745 3.019 1.00 40.44 H new ATOM 1406 N ILE A 86 7.667 0.525 0.679 1.00 52.25 N ATOM 1407 CA ILE A 86 7.715 -0.890 1.025 1.00 50.20 C ATOM 1408 C ILE A 86 7.965 -1.082 2.517 1.00 62.31 C ATOM 1409 O ILE A 86 8.865 -0.480 3.104 1.00 72.45 O ATOM 1410 CB ILE A 86 8.811 -1.626 0.233 1.00 63.32 C ATOM 1411 CG1 ILE A 86 8.745 -1.245 -1.248 1.00 34.35 C ATOM 1412 CG2 ILE A 86 8.669 -3.131 0.405 1.00 32.20 C ATOM 1413 CD1 ILE A 86 9.826 -1.890 -2.087 1.00 13.34 C ATOM 0 H ILE A 86 8.534 0.893 0.288 1.00 52.25 H new ATOM 0 HA ILE A 86 6.745 -1.312 0.764 1.00 50.20 H new ATOM 0 HB ILE A 86 9.784 -1.325 0.623 1.00 63.32 H new ATOM 0 HG12 ILE A 86 7.770 -1.529 -1.645 1.00 34.35 H new ATOM 0 HG13 ILE A 86 8.823 -0.162 -1.340 1.00 34.35 H new ATOM 0 HG21 ILE A 86 9.451 -3.637 -0.161 1.00 32.20 H new ATOM 0 HG22 ILE A 86 8.761 -3.387 1.460 1.00 32.20 H new ATOM 0 HG23 ILE A 86 7.693 -3.449 0.039 1.00 32.20 H new ATOM 0 HD11 ILE A 86 9.718 -1.575 -3.125 1.00 13.34 H new ATOM 0 HD12 ILE A 86 10.805 -1.586 -1.716 1.00 13.34 H new ATOM 0 HD13 ILE A 86 9.736 -2.975 -2.026 1.00 13.34 H new ATOM 1425 N PRO A 87 7.152 -1.943 3.147 1.00 61.10 N ATOM 1426 CA PRO A 87 7.267 -2.237 4.578 1.00 31.34 C ATOM 1427 C PRO A 87 8.525 -3.033 4.908 1.00 64.05 C ATOM 1428 O PRO A 87 9.107 -3.683 4.038 1.00 2.02 O ATOM 1429 CB PRO A 87 6.016 -3.070 4.871 1.00 41.30 C ATOM 1430 CG PRO A 87 5.661 -3.692 3.565 1.00 51.43 C ATOM 1431 CD PRO A 87 6.058 -2.696 2.510 1.00 3.13 C ATOM 0 HA PRO A 87 7.341 -1.328 5.175 1.00 31.34 H new ATOM 0 HB2 PRO A 87 6.213 -3.827 5.630 1.00 41.30 H new ATOM 0 HB3 PRO A 87 5.204 -2.447 5.246 1.00 41.30 H new ATOM 0 HG2 PRO A 87 6.187 -4.637 3.427 1.00 51.43 H new ATOM 0 HG3 PRO A 87 4.594 -3.910 3.514 1.00 51.43 H new ATOM 0 HD2 PRO A 87 6.389 -3.189 1.596 1.00 3.13 H new ATOM 0 HD3 PRO A 87 5.227 -2.045 2.239 1.00 3.13 H new ATOM 1439 N THR A 88 8.942 -2.979 6.169 1.00 14.40 N ATOM 1440 CA THR A 88 10.131 -3.694 6.613 1.00 45.42 C ATOM 1441 C THR A 88 9.774 -5.071 7.158 1.00 34.24 C ATOM 1442 O THR A 88 8.600 -5.386 7.357 1.00 0.34 O ATOM 1443 CB THR A 88 10.889 -2.905 7.698 1.00 73.01 C ATOM 1444 OG1 THR A 88 10.460 -1.539 7.700 1.00 41.24 O ATOM 1445 CG2 THR A 88 12.391 -2.970 7.465 1.00 33.44 C ATOM 0 H THR A 88 8.473 -2.446 6.901 1.00 14.40 H new ATOM 0 HA THR A 88 10.775 -3.808 5.741 1.00 45.42 H new ATOM 0 HB THR A 88 10.668 -3.356 8.665 1.00 73.01 H new ATOM 0 HG1 THR A 88 10.945 -1.045 8.393 1.00 41.24 H new ATOM 0 HG21 THR A 88 12.905 -2.406 8.243 1.00 33.44 H new ATOM 0 HG22 THR A 88 12.719 -4.009 7.494 1.00 33.44 H new ATOM 0 HG23 THR A 88 12.627 -2.542 6.491 1.00 33.44 H new ATOM 1453 N VAL A 89 10.792 -5.890 7.400 1.00 65.24 N ATOM 1454 CA VAL A 89 10.585 -7.235 7.924 1.00 1.45 C ATOM 1455 C VAL A 89 9.713 -7.208 9.175 1.00 50.13 C ATOM 1456 O VAL A 89 8.657 -7.838 9.220 1.00 62.31 O ATOM 1457 CB VAL A 89 11.924 -7.919 8.260 1.00 14.31 C ATOM 1458 CG1 VAL A 89 11.684 -9.304 8.841 1.00 65.10 C ATOM 1459 CG2 VAL A 89 12.807 -7.995 7.024 1.00 20.11 C ATOM 0 H VAL A 89 11.769 -5.646 7.241 1.00 65.24 H new ATOM 0 HA VAL A 89 10.080 -7.805 7.144 1.00 1.45 H new ATOM 0 HB VAL A 89 12.441 -7.321 9.011 1.00 14.31 H new ATOM 0 HG11 VAL A 89 12.641 -9.772 9.072 1.00 65.10 H new ATOM 0 HG12 VAL A 89 11.092 -9.219 9.752 1.00 65.10 H new ATOM 0 HG13 VAL A 89 11.147 -9.915 8.115 1.00 65.10 H new ATOM 0 HG21 VAL A 89 13.749 -8.481 7.279 1.00 20.11 H new ATOM 0 HG22 VAL A 89 12.300 -8.570 6.249 1.00 20.11 H new ATOM 0 HG23 VAL A 89 13.006 -6.988 6.657 1.00 20.11 H new ATOM 1469 N GLU A 90 10.162 -6.473 10.188 1.00 63.35 N ATOM 1470 CA GLU A 90 9.422 -6.365 11.439 1.00 20.11 C ATOM 1471 C GLU A 90 7.970 -5.973 11.180 1.00 21.14 C ATOM 1472 O GLU A 90 7.045 -6.626 11.663 1.00 64.11 O ATOM 1473 CB GLU A 90 10.083 -5.338 12.361 1.00 54.21 C ATOM 1474 CG GLU A 90 11.388 -5.819 12.972 1.00 11.00 C ATOM 1475 CD GLU A 90 12.070 -4.752 13.806 1.00 14.04 C ATOM 1476 OE1 GLU A 90 11.671 -4.567 14.975 1.00 23.53 O ATOM 1477 OE2 GLU A 90 13.002 -4.102 13.290 1.00 43.44 O ATOM 0 H GLU A 90 11.034 -5.944 10.166 1.00 63.35 H new ATOM 0 HA GLU A 90 9.435 -7.340 11.925 1.00 20.11 H new ATOM 0 HB2 GLU A 90 10.271 -4.424 11.797 1.00 54.21 H new ATOM 0 HB3 GLU A 90 9.389 -5.082 13.162 1.00 54.21 H new ATOM 0 HG2 GLU A 90 11.193 -6.692 13.595 1.00 11.00 H new ATOM 0 HG3 GLU A 90 12.061 -6.139 12.177 1.00 11.00 H new ATOM 1484 N GLN A 91 7.780 -4.902 10.416 1.00 34.43 N ATOM 1485 CA GLN A 91 6.441 -4.423 10.095 1.00 52.55 C ATOM 1486 C GLN A 91 5.619 -5.514 9.417 1.00 64.41 C ATOM 1487 O GLN A 91 4.423 -5.653 9.672 1.00 41.43 O ATOM 1488 CB GLN A 91 6.521 -3.192 9.189 1.00 21.12 C ATOM 1489 CG GLN A 91 7.496 -2.136 9.684 1.00 51.45 C ATOM 1490 CD GLN A 91 7.401 -1.908 11.179 1.00 15.32 C ATOM 1491 OE1 GLN A 91 6.372 -1.460 11.686 1.00 13.33 O ATOM 1492 NE2 GLN A 91 8.476 -2.216 11.895 1.00 13.10 N ATOM 0 H GLN A 91 8.535 -4.350 10.008 1.00 34.43 H new ATOM 0 HA GLN A 91 5.948 -4.149 11.028 1.00 52.55 H new ATOM 0 HB2 GLN A 91 6.816 -3.506 8.188 1.00 21.12 H new ATOM 0 HB3 GLN A 91 5.529 -2.748 9.105 1.00 21.12 H new ATOM 0 HG2 GLN A 91 8.512 -2.438 9.430 1.00 51.45 H new ATOM 0 HG3 GLN A 91 7.303 -1.197 9.164 1.00 51.45 H new ATOM 0 HE21 GLN A 91 9.308 -2.585 11.434 1.00 13.10 H new ATOM 0 HE22 GLN A 91 8.470 -2.084 12.906 1.00 13.10 H new ATOM 1501 N TRP A 92 6.269 -6.286 8.554 1.00 62.44 N ATOM 1502 CA TRP A 92 5.598 -7.366 7.839 1.00 61.22 C ATOM 1503 C TRP A 92 5.159 -8.465 8.800 1.00 25.32 C ATOM 1504 O TRP A 92 4.047 -8.984 8.701 1.00 41.31 O ATOM 1505 CB TRP A 92 6.522 -7.948 6.767 1.00 12.42 C ATOM 1506 CG TRP A 92 5.864 -8.994 5.920 1.00 52.03 C ATOM 1507 CD1 TRP A 92 4.702 -8.865 5.214 1.00 34.41 C ATOM 1508 CD2 TRP A 92 6.329 -10.329 5.691 1.00 52.40 C ATOM 1509 NE1 TRP A 92 4.416 -10.040 4.560 1.00 1.15 N ATOM 1510 CE2 TRP A 92 5.399 -10.953 4.836 1.00 5.20 C ATOM 1511 CE3 TRP A 92 7.441 -11.056 6.123 1.00 33.42 C ATOM 1512 CZ2 TRP A 92 5.549 -12.269 4.408 1.00 25.22 C ATOM 1513 CZ3 TRP A 92 7.588 -12.363 5.698 1.00 50.11 C ATOM 1514 CH2 TRP A 92 6.647 -12.958 4.847 1.00 63.30 C ATOM 0 H TRP A 92 7.259 -6.185 8.332 1.00 62.44 H new ATOM 0 HA TRP A 92 4.711 -6.953 7.359 1.00 61.22 H new ATOM 0 HB2 TRP A 92 6.876 -7.141 6.125 1.00 12.42 H new ATOM 0 HB3 TRP A 92 7.399 -8.380 7.249 1.00 12.42 H new ATOM 0 HD1 TRP A 92 4.097 -7.971 5.175 1.00 34.41 H new ATOM 0 HE1 TRP A 92 3.604 -10.205 3.966 1.00 1.15 H new ATOM 0 HE3 TRP A 92 8.172 -10.605 6.777 1.00 33.42 H new ATOM 0 HZ2 TRP A 92 4.825 -12.730 3.753 1.00 25.22 H new ATOM 0 HZ3 TRP A 92 8.443 -12.935 6.027 1.00 50.11 H new ATOM 0 HH2 TRP A 92 6.791 -13.981 4.531 1.00 63.30 H new ATOM 1525 N LYS A 93 6.040 -8.817 9.731 1.00 32.11 N ATOM 1526 CA LYS A 93 5.743 -9.854 10.712 1.00 23.14 C ATOM 1527 C LYS A 93 4.548 -9.462 11.574 1.00 15.32 C ATOM 1528 O LYS A 93 3.627 -10.255 11.774 1.00 44.21 O ATOM 1529 CB LYS A 93 6.964 -10.109 11.600 1.00 15.11 C ATOM 1530 CG LYS A 93 8.199 -10.538 10.827 1.00 33.55 C ATOM 1531 CD LYS A 93 8.164 -12.022 10.500 1.00 11.13 C ATOM 1532 CE LYS A 93 7.708 -12.267 9.070 1.00 44.41 C ATOM 1533 NZ LYS A 93 6.949 -13.541 8.940 1.00 15.21 N ATOM 0 H LYS A 93 6.966 -8.399 9.826 1.00 32.11 H new ATOM 0 HA LYS A 93 5.495 -10.768 10.173 1.00 23.14 H new ATOM 0 HB2 LYS A 93 7.192 -9.201 12.159 1.00 15.11 H new ATOM 0 HB3 LYS A 93 6.717 -10.879 12.331 1.00 15.11 H new ATOM 0 HG2 LYS A 93 8.270 -9.963 9.904 1.00 33.55 H new ATOM 0 HG3 LYS A 93 9.091 -10.314 11.412 1.00 33.55 H new ATOM 0 HD2 LYS A 93 9.155 -12.451 10.645 1.00 11.13 H new ATOM 0 HD3 LYS A 93 7.492 -12.532 11.190 1.00 11.13 H new ATOM 0 HE2 LYS A 93 7.083 -11.437 8.741 1.00 44.41 H new ATOM 0 HE3 LYS A 93 8.576 -12.293 8.411 1.00 44.41 H new ATOM 0 HZ1 LYS A 93 6.187 -13.422 8.242 1.00 15.21 H new ATOM 0 HZ2 LYS A 93 7.591 -14.297 8.626 1.00 15.21 H new ATOM 0 HZ3 LYS A 93 6.538 -13.796 9.861 1.00 15.21 H new ATOM 1547 N ASP A 94 4.567 -8.234 12.081 1.00 51.21 N ATOM 1548 CA ASP A 94 3.483 -7.735 12.919 1.00 33.42 C ATOM 1549 C ASP A 94 2.183 -7.640 12.127 1.00 73.23 C ATOM 1550 O ASP A 94 1.109 -7.959 12.637 1.00 3.45 O ATOM 1551 CB ASP A 94 3.844 -6.366 13.497 1.00 41.05 C ATOM 1552 CG ASP A 94 2.998 -6.004 14.702 1.00 64.23 C ATOM 1553 OD1 ASP A 94 2.273 -6.888 15.203 1.00 12.25 O ATOM 1554 OD2 ASP A 94 3.061 -4.837 15.143 1.00 65.35 O ATOM 0 H ASP A 94 5.322 -7.566 11.926 1.00 51.21 H new ATOM 0 HA ASP A 94 3.338 -8.439 13.738 1.00 33.42 H new ATOM 0 HB2 ASP A 94 4.896 -6.361 13.781 1.00 41.05 H new ATOM 0 HB3 ASP A 94 3.718 -5.605 12.727 1.00 41.05 H new ATOM 1559 N GLN A 95 2.288 -7.199 10.877 1.00 22.23 N ATOM 1560 CA GLN A 95 1.120 -7.061 10.016 1.00 43.55 C ATOM 1561 C GLN A 95 0.427 -8.405 9.818 1.00 40.52 C ATOM 1562 O GLN A 95 -0.789 -8.518 9.975 1.00 11.35 O ATOM 1563 CB GLN A 95 1.526 -6.478 8.660 1.00 23.45 C ATOM 1564 CG GLN A 95 1.744 -4.974 8.685 1.00 23.22 C ATOM 1565 CD GLN A 95 2.771 -4.516 7.668 1.00 74.43 C ATOM 1566 OE1 GLN A 95 3.081 -5.234 6.716 1.00 51.51 O ATOM 1567 NE2 GLN A 95 3.304 -3.316 7.863 1.00 31.21 N ATOM 0 H GLN A 95 3.169 -6.932 10.439 1.00 22.23 H new ATOM 0 HA GLN A 95 0.420 -6.381 10.502 1.00 43.55 H new ATOM 0 HB2 GLN A 95 2.442 -6.964 8.325 1.00 23.45 H new ATOM 0 HB3 GLN A 95 0.754 -6.713 7.927 1.00 23.45 H new ATOM 0 HG2 GLN A 95 0.797 -4.470 8.491 1.00 23.22 H new ATOM 0 HG3 GLN A 95 2.067 -4.674 9.682 1.00 23.22 H new ATOM 0 HE21 GLN A 95 3.018 -2.755 8.665 1.00 31.21 H new ATOM 0 HE22 GLN A 95 4.000 -2.955 7.210 1.00 31.21 H new ATOM 1576 N THR A 96 1.208 -9.423 9.471 1.00 44.43 N ATOM 1577 CA THR A 96 0.670 -10.759 9.250 1.00 51.33 C ATOM 1578 C THR A 96 0.126 -11.353 10.544 1.00 75.04 C ATOM 1579 O THR A 96 -0.937 -11.976 10.553 1.00 5.42 O ATOM 1580 CB THR A 96 1.738 -11.707 8.672 1.00 10.43 C ATOM 1581 OG1 THR A 96 3.035 -11.334 9.152 1.00 53.43 O ATOM 1582 CG2 THR A 96 1.725 -11.674 7.151 1.00 3.34 C ATOM 0 H THR A 96 2.216 -9.347 9.337 1.00 44.43 H new ATOM 0 HA THR A 96 -0.142 -10.658 8.530 1.00 51.33 H new ATOM 0 HB THR A 96 1.508 -12.721 8.999 1.00 10.43 H new ATOM 0 HG1 THR A 96 3.369 -10.572 8.634 1.00 53.43 H new ATOM 0 HG21 THR A 96 2.487 -12.351 6.766 1.00 3.34 H new ATOM 0 HG22 THR A 96 0.746 -11.986 6.789 1.00 3.34 H new ATOM 0 HG23 THR A 96 1.933 -10.661 6.807 1.00 3.34 H new ATOM 1941 N PHE B -7 12.642 -14.048 10.884 1.00 32.42 N ATOM 1942 CA PHE B -7 13.146 -13.392 9.684 1.00 52.33 C ATOM 1943 C PHE B -7 14.065 -12.229 10.045 1.00 5.02 C ATOM 1944 O PHE B -7 13.832 -11.090 9.640 1.00 13.11 O ATOM 1945 CB PHE B -7 11.983 -12.889 8.825 1.00 21.23 C ATOM 1946 CG PHE B -7 11.342 -13.965 7.995 1.00 2.44 C ATOM 1947 CD1 PHE B -7 11.991 -14.480 6.885 1.00 53.03 C ATOM 1948 CD2 PHE B -7 10.091 -14.460 8.326 1.00 51.33 C ATOM 1949 CE1 PHE B -7 11.404 -15.470 6.119 1.00 11.10 C ATOM 1950 CE2 PHE B -7 9.499 -15.450 7.564 1.00 4.31 C ATOM 1951 CZ PHE B -7 10.156 -15.955 6.459 1.00 41.42 C ATOM 0 H1 PHE B -7 12.019 -14.836 10.613 1.00 32.42 H new ATOM 0 H2 PHE B -7 13.440 -14.413 11.441 1.00 32.42 H new ATOM 0 H3 PHE B -7 12.106 -13.363 11.455 1.00 32.42 H new ATOM 0 HA PHE B -7 13.720 -14.123 9.115 1.00 52.33 H new ATOM 0 HB2 PHE B -7 11.229 -12.444 9.474 1.00 21.23 H new ATOM 0 HB3 PHE B -7 12.343 -12.099 8.166 1.00 21.23 H new ATOM 0 HD1 PHE B -7 12.967 -14.104 6.615 1.00 53.03 H new ATOM 0 HD2 PHE B -7 9.573 -14.068 9.189 1.00 51.33 H new ATOM 0 HE1 PHE B -7 11.920 -15.864 5.256 1.00 11.10 H new ATOM 0 HE2 PHE B -7 8.524 -15.828 7.833 1.00 4.31 H new ATOM 0 HZ PHE B -7 9.695 -16.728 5.862 1.00 41.42 H new ATOM 1961 N ILE B -6 15.111 -12.525 10.810 1.00 71.11 N ATOM 1962 CA ILE B -6 16.066 -11.505 11.226 1.00 71.53 C ATOM 1963 C ILE B -6 17.417 -11.709 10.548 1.00 12.41 C ATOM 1964 O ILE B -6 18.348 -12.275 11.121 1.00 33.20 O ATOM 1965 CB ILE B -6 16.264 -11.509 12.753 1.00 65.51 C ATOM 1966 CG1 ILE B -6 14.910 -11.527 13.465 1.00 24.42 C ATOM 1967 CG2 ILE B -6 17.080 -10.300 13.184 1.00 11.42 C ATOM 1968 CD1 ILE B -6 14.004 -10.383 13.069 1.00 2.12 C ATOM 0 H ILE B -6 15.318 -13.463 11.154 1.00 71.11 H new ATOM 0 HA ILE B -6 15.652 -10.543 10.925 1.00 71.53 H new ATOM 0 HB ILE B -6 16.811 -12.410 13.031 1.00 65.51 H new ATOM 0 HG12 ILE B -6 14.407 -12.470 13.248 1.00 24.42 H new ATOM 0 HG13 ILE B -6 15.074 -11.493 14.542 1.00 24.42 H new ATOM 0 HG21 ILE B -6 17.212 -10.317 14.266 1.00 11.42 H new ATOM 0 HG22 ILE B -6 18.056 -10.328 12.699 1.00 11.42 H new ATOM 0 HG23 ILE B -6 16.558 -9.387 12.896 1.00 11.42 H new ATOM 0 HD11 ILE B -6 13.062 -10.460 13.613 1.00 2.12 H new ATOM 0 HD12 ILE B -6 14.487 -9.436 13.311 1.00 2.12 H new ATOM 0 HD13 ILE B -6 13.809 -10.427 11.997 1.00 2.12 H new ATOM 1980 N PRO B -5 17.529 -11.234 9.299 1.00 44.13 N ATOM 1981 CA PRO B -5 18.764 -11.349 8.516 1.00 34.32 C ATOM 1982 C PRO B -5 19.879 -10.462 9.059 1.00 71.15 C ATOM 1983 O PRO B -5 20.153 -9.391 8.516 1.00 35.52 O ATOM 1984 CB PRO B -5 18.343 -10.886 7.119 1.00 12.45 C ATOM 1985 CG PRO B -5 17.175 -9.991 7.353 1.00 12.23 C ATOM 1986 CD PRO B -5 16.461 -10.547 8.554 1.00 74.42 C ATOM 0 HA PRO B -5 19.169 -12.361 8.540 1.00 34.32 H new ATOM 0 HB2 PRO B -5 19.153 -10.357 6.616 1.00 12.45 H new ATOM 0 HB3 PRO B -5 18.073 -11.732 6.486 1.00 12.45 H new ATOM 0 HG2 PRO B -5 17.499 -8.966 7.532 1.00 12.23 H new ATOM 0 HG3 PRO B -5 16.518 -9.971 6.483 1.00 12.23 H new ATOM 0 HD2 PRO B -5 16.000 -9.758 9.148 1.00 74.42 H new ATOM 0 HD3 PRO B -5 15.666 -11.235 8.266 1.00 74.42 H new ATOM 1994 N SER B -4 20.520 -10.914 10.131 1.00 31.55 N ATOM 1995 CA SER B -4 21.604 -10.160 10.749 1.00 12.52 C ATOM 1996 C SER B -4 22.920 -10.402 10.017 1.00 5.14 C ATOM 1997 O SER B -4 23.960 -9.858 10.391 1.00 71.03 O ATOM 1998 CB SER B -4 21.748 -10.546 12.223 1.00 54.44 C ATOM 1999 OG SER B -4 20.694 -10.001 12.998 1.00 50.53 O ATOM 0 H SER B -4 20.307 -11.800 10.590 1.00 31.55 H new ATOM 0 HA SER B -4 21.360 -9.100 10.681 1.00 12.52 H new ATOM 0 HB2 SER B -4 21.751 -11.632 12.319 1.00 54.44 H new ATOM 0 HB3 SER B -4 22.705 -10.190 12.604 1.00 54.44 H new ATOM 0 HG SER B -4 20.808 -10.263 13.935 1.00 50.53 H new ATOM 2005 N ARG B -3 22.867 -11.222 8.973 1.00 24.42 N ATOM 2006 CA ARG B -3 24.055 -11.539 8.189 1.00 1.30 C ATOM 2007 C ARG B -3 24.546 -10.312 7.426 1.00 15.51 C ATOM 2008 O ARG B -3 23.819 -9.335 7.240 1.00 44.05 O ATOM 2009 CB ARG B -3 23.758 -12.676 7.210 1.00 12.10 C ATOM 2010 CG ARG B -3 24.362 -14.008 7.622 1.00 24.13 C ATOM 2011 CD ARG B -3 23.549 -14.672 8.723 1.00 64.14 C ATOM 2012 NE ARG B -3 22.180 -14.952 8.299 1.00 41.53 N ATOM 2013 CZ ARG B -3 21.286 -15.569 9.062 1.00 30.43 C ATOM 2014 NH1 ARG B -3 21.615 -15.970 10.283 1.00 42.14 N ATOM 2015 NH2 ARG B -3 20.059 -15.787 8.606 1.00 63.52 N ATOM 0 H ARG B -3 22.014 -11.679 8.650 1.00 24.42 H new ATOM 0 HA ARG B -3 24.839 -11.856 8.876 1.00 1.30 H new ATOM 0 HB2 ARG B -3 22.678 -12.790 7.116 1.00 12.10 H new ATOM 0 HB3 ARG B -3 24.137 -12.404 6.225 1.00 12.10 H new ATOM 0 HG2 ARG B -3 24.413 -14.669 6.757 1.00 24.13 H new ATOM 0 HG3 ARG B -3 25.385 -13.854 7.966 1.00 24.13 H new ATOM 0 HD2 ARG B -3 24.034 -15.602 9.021 1.00 64.14 H new ATOM 0 HD3 ARG B -3 23.532 -14.026 9.601 1.00 64.14 H new ATOM 0 HE ARG B -3 21.895 -14.657 7.365 1.00 41.53 H new ATOM 0 HH11 ARG B -3 22.557 -15.804 10.638 1.00 42.14 H new ATOM 0 HH12 ARG B -3 20.926 -16.444 10.867 1.00 42.14 H new ATOM 0 HH21 ARG B -3 19.802 -15.480 7.668 1.00 63.52 H new ATOM 0 HH22 ARG B -3 19.373 -16.261 9.194 1.00 63.52 H new ATOM 2029 N PRO B -2 25.808 -10.361 6.975 1.00 55.45 N ATOM 2030 CA PRO B -2 26.423 -9.262 6.225 1.00 43.41 C ATOM 2031 C PRO B -2 25.827 -9.105 4.830 1.00 34.33 C ATOM 2032 O PRO B -2 25.235 -10.039 4.290 1.00 33.10 O ATOM 2033 CB PRO B -2 27.894 -9.675 6.134 1.00 44.22 C ATOM 2034 CG PRO B -2 27.878 -11.160 6.248 1.00 24.10 C ATOM 2035 CD PRO B -2 26.730 -11.493 7.160 1.00 4.14 C ATOM 0 HA PRO B -2 26.265 -8.299 6.711 1.00 43.41 H new ATOM 0 HB2 PRO B -2 28.337 -9.355 5.191 1.00 44.22 H new ATOM 0 HB3 PRO B -2 28.482 -9.223 6.933 1.00 44.22 H new ATOM 0 HG2 PRO B -2 27.748 -11.625 5.271 1.00 24.10 H new ATOM 0 HG3 PRO B -2 28.819 -11.530 6.654 1.00 24.10 H new ATOM 0 HD2 PRO B -2 26.263 -12.440 6.889 1.00 4.14 H new ATOM 0 HD3 PRO B -2 27.054 -11.582 8.197 1.00 4.14 H new ATOM 2043 N ALA B -1 25.987 -7.919 4.253 1.00 72.12 N ATOM 2044 CA ALA B -1 25.466 -7.642 2.920 1.00 51.11 C ATOM 2045 C ALA B -1 26.507 -7.949 1.849 1.00 41.41 C ATOM 2046 O ALA B -1 27.532 -7.276 1.735 1.00 50.15 O ATOM 2047 CB ALA B -1 25.015 -6.192 2.821 1.00 71.24 C ATOM 0 H ALA B -1 26.473 -7.135 4.687 1.00 72.12 H new ATOM 0 HA ALA B -1 24.607 -8.291 2.750 1.00 51.11 H new ATOM 0 HB1 ALA B -1 24.628 -5.999 1.820 1.00 71.24 H new ATOM 0 HB2 ALA B -1 24.232 -6.004 3.555 1.00 71.24 H new ATOM 0 HB3 ALA B -1 25.861 -5.534 3.016 1.00 71.24 H new ATOM 2053 N PRO B 0 26.241 -8.989 1.045 1.00 44.33 N ATOM 2054 CA PRO B 0 27.144 -9.408 -0.031 1.00 61.14 C ATOM 2055 C PRO B 0 27.183 -8.405 -1.179 1.00 43.12 C ATOM 2056 O PRO B 0 26.200 -7.715 -1.449 1.00 34.32 O ATOM 2057 CB PRO B 0 26.543 -10.735 -0.501 1.00 62.24 C ATOM 2058 CG PRO B 0 25.101 -10.647 -0.140 1.00 55.35 C ATOM 2059 CD PRO B 0 25.039 -9.835 1.124 1.00 70.01 C ATOM 0 HA PRO B 0 28.176 -9.488 0.311 1.00 61.14 H new ATOM 0 HB2 PRO B 0 26.675 -10.871 -1.574 1.00 62.24 H new ATOM 0 HB3 PRO B 0 27.023 -11.582 -0.011 1.00 62.24 H new ATOM 0 HG2 PRO B 0 24.528 -10.173 -0.937 1.00 55.35 H new ATOM 0 HG3 PRO B 0 24.676 -11.639 0.012 1.00 55.35 H new ATOM 0 HD2 PRO B 0 24.129 -9.237 1.173 1.00 70.01 H new ATOM 0 HD3 PRO B 0 25.052 -10.469 2.010 1.00 70.01 H new ATOM 2067 N LYS B 1 28.326 -8.328 -1.853 1.00 72.41 N ATOM 2068 CA LYS B 1 28.494 -7.411 -2.974 1.00 14.22 C ATOM 2069 C LYS B 1 28.334 -8.141 -4.303 1.00 53.15 C ATOM 2070 O LYS B 1 28.437 -9.365 -4.383 1.00 73.21 O ATOM 2071 CB LYS B 1 29.868 -6.741 -2.910 1.00 0.23 C ATOM 2072 CG LYS B 1 29.875 -5.442 -2.123 1.00 4.23 C ATOM 2073 CD LYS B 1 31.289 -5.012 -1.769 1.00 43.12 C ATOM 2074 CE LYS B 1 31.866 -5.861 -0.647 1.00 32.22 C ATOM 2075 NZ LYS B 1 33.352 -5.930 -0.711 1.00 20.40 N ATOM 0 H LYS B 1 29.150 -8.890 -1.642 1.00 72.41 H new ATOM 0 HA LYS B 1 27.720 -6.646 -2.904 1.00 14.22 H new ATOM 0 HB2 LYS B 1 30.580 -7.433 -2.459 1.00 0.23 H new ATOM 0 HB3 LYS B 1 30.214 -6.543 -3.924 1.00 0.23 H new ATOM 0 HG2 LYS B 1 29.391 -4.659 -2.707 1.00 4.23 H new ATOM 0 HG3 LYS B 1 29.292 -5.565 -1.210 1.00 4.23 H new ATOM 0 HD2 LYS B 1 31.926 -5.091 -2.650 1.00 43.12 H new ATOM 0 HD3 LYS B 1 31.287 -3.964 -1.470 1.00 43.12 H new ATOM 0 HE2 LYS B 1 31.563 -5.447 0.315 1.00 32.22 H new ATOM 0 HE3 LYS B 1 31.453 -6.868 -0.705 1.00 32.22 H new ATOM 0 HZ1 LYS B 1 33.706 -6.518 0.071 1.00 20.40 H new ATOM 0 HZ2 LYS B 1 33.641 -6.349 -1.618 1.00 20.40 H new ATOM 0 HZ3 LYS B 1 33.748 -4.972 -0.630 1.00 20.40 H new ATOM 2089 N PRO B 2 28.077 -7.374 -5.374 1.00 5.04 N ATOM 2090 CA PRO B 2 27.900 -7.927 -6.720 1.00 3.04 C ATOM 2091 C PRO B 2 29.202 -8.471 -7.299 1.00 13.02 C ATOM 2092 O PRO B 2 30.289 -8.241 -6.769 1.00 41.33 O ATOM 2093 CB PRO B 2 27.413 -6.727 -7.535 1.00 13.41 C ATOM 2094 CG PRO B 2 27.939 -5.537 -6.809 1.00 44.14 C ATOM 2095 CD PRO B 2 27.942 -5.908 -5.352 1.00 55.11 C ATOM 0 HA PRO B 2 27.211 -8.772 -6.726 1.00 3.04 H new ATOM 0 HB2 PRO B 2 27.788 -6.765 -8.558 1.00 13.41 H new ATOM 0 HB3 PRO B 2 26.325 -6.705 -7.595 1.00 13.41 H new ATOM 0 HG2 PRO B 2 28.943 -5.285 -7.149 1.00 44.14 H new ATOM 0 HG3 PRO B 2 27.313 -4.663 -6.988 1.00 44.14 H new ATOM 0 HD2 PRO B 2 28.767 -5.436 -4.819 1.00 55.11 H new ATOM 0 HD3 PRO B 2 27.023 -5.596 -4.856 1.00 55.11 H new ATOM 2103 N PRO B 3 29.091 -9.210 -8.413 1.00 24.14 N ATOM 2104 CA PRO B 3 30.250 -9.801 -9.088 1.00 61.34 C ATOM 2105 C PRO B 3 31.131 -8.750 -9.756 1.00 34.24 C ATOM 2106 O PRO B 3 30.955 -8.436 -10.933 1.00 22.32 O ATOM 2107 CB PRO B 3 29.618 -10.716 -10.141 1.00 5.12 C ATOM 2108 CG PRO B 3 28.277 -10.122 -10.403 1.00 25.32 C ATOM 2109 CD PRO B 3 27.827 -9.525 -9.098 1.00 71.14 C ATOM 0 HA PRO B 3 30.907 -10.320 -8.390 1.00 61.34 H new ATOM 0 HB2 PRO B 3 30.220 -10.750 -11.049 1.00 5.12 H new ATOM 0 HB3 PRO B 3 29.533 -11.740 -9.776 1.00 5.12 H new ATOM 0 HG2 PRO B 3 28.332 -9.361 -11.182 1.00 25.32 H new ATOM 0 HG3 PRO B 3 27.575 -10.881 -10.748 1.00 25.32 H new ATOM 0 HD2 PRO B 3 27.220 -8.633 -9.252 1.00 71.14 H new ATOM 0 HD3 PRO B 3 27.222 -10.226 -8.523 1.00 71.14 H new