USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 435 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.836 X(o=-0.84,f=-1.3) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.1 F(o=-1.2,f=-0.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -5.1! C(o=-5.1!,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= 1.23 (180deg=0.378) USER MOD Single : A 37 GLN : amide:sc= -0.0301 K(o=-0.03,f=-1.1) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.29 F(o=-1.5,f=-0.29) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0577 K(o=-0.058,f=-1.4) USER MOD Single : A 48 ASN :FLIP amide:sc= 0.752 F(o=-0.88,f=0.75) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.85 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -6.234 -8.694 1.295 1.00 0.00 N ATOM 67 CA PRO A 8 -4.854 -8.493 0.843 1.00 0.00 C ATOM 68 C PRO A 8 -4.198 -7.286 1.504 1.00 0.00 C ATOM 69 O PRO A 8 -4.840 -6.257 1.717 1.00 0.00 O ATOM 70 CB PRO A 8 -5.004 -8.262 -0.663 1.00 0.00 C ATOM 71 CG PRO A 8 -6.388 -7.735 -0.829 1.00 0.00 C ATOM 72 CD PRO A 8 -7.215 -8.399 0.237 1.00 0.00 C ATOM 0 HA PRO A 8 -4.215 -9.339 1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.263 -7.552 -1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.863 -9.187 -1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.408 -6.651 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.776 -7.963 -1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.009 -7.744 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.693 -9.306 -0.132 1.00 0.00 H new ATOM 80 N ARG A 9 -2.915 -7.419 1.826 1.00 0.00 N ATOM 81 CA ARG A 9 -2.172 -6.339 2.464 1.00 0.00 C ATOM 82 C ARG A 9 -0.808 -6.153 1.805 1.00 0.00 C ATOM 83 O ARG A 9 -0.333 -7.030 1.084 1.00 0.00 O ATOM 84 CB ARG A 9 -1.995 -6.625 3.957 1.00 0.00 C ATOM 85 CG ARG A 9 -3.306 -6.811 4.701 1.00 0.00 C ATOM 86 CD ARG A 9 -3.073 -7.161 6.162 1.00 0.00 C ATOM 87 NE ARG A 9 -4.191 -7.908 6.732 1.00 0.00 N ATOM 88 CZ ARG A 9 -4.554 -9.117 6.318 1.00 0.00 C ATOM 89 NH1 ARG A 9 -3.890 -9.713 5.336 1.00 0.00 N ATOM 90 NH2 ARG A 9 -5.583 -9.733 6.886 1.00 0.00 N ATOM 0 H ARG A 9 -2.369 -8.264 1.656 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.743 -5.418 2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.389 -7.523 4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.442 -5.804 4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.896 -5.897 4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.887 -7.601 4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.160 -7.750 6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.920 -6.246 6.734 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.722 -7.478 7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.098 -9.243 4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.171 -10.641 5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.096 -9.278 7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.861 -10.661 6.567 1.00 0.00 H new ATOM 104 N ALA A 10 -0.185 -5.007 2.058 1.00 0.00 N ATOM 105 CA ALA A 10 1.124 -4.708 1.491 1.00 0.00 C ATOM 106 C ALA A 10 2.062 -4.136 2.548 1.00 0.00 C ATOM 107 O ALA A 10 1.619 -3.532 3.525 1.00 0.00 O ATOM 108 CB ALA A 10 0.985 -3.739 0.326 1.00 0.00 C ATOM 0 H ALA A 10 -0.566 -4.270 2.652 1.00 0.00 H new ATOM 0 HA ALA A 10 1.556 -5.640 1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.970 -3.524 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.357 -4.185 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.529 -2.813 0.676 1.00 0.00 H new ATOM 114 N LYS A 11 3.361 -4.331 2.347 1.00 0.00 N ATOM 115 CA LYS A 11 4.364 -3.834 3.282 1.00 0.00 C ATOM 116 C LYS A 11 5.326 -2.876 2.589 1.00 0.00 C ATOM 117 O LYS A 11 5.889 -3.195 1.542 1.00 0.00 O ATOM 118 CB LYS A 11 5.142 -5.001 3.895 1.00 0.00 C ATOM 119 CG LYS A 11 6.105 -4.581 4.991 1.00 0.00 C ATOM 120 CD LYS A 11 6.320 -5.695 6.002 1.00 0.00 C ATOM 121 CE LYS A 11 7.443 -6.627 5.574 1.00 0.00 C ATOM 122 NZ LYS A 11 7.757 -7.635 6.624 1.00 0.00 N ATOM 0 H LYS A 11 3.744 -4.830 1.544 1.00 0.00 H new ATOM 0 HA LYS A 11 3.849 -3.292 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.435 -5.724 4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.700 -5.508 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.061 -4.300 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.717 -3.698 5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.554 -5.264 6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.398 -6.264 6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.160 -7.137 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.336 -6.042 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.527 -8.251 6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.051 -7.149 7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.912 -8.210 6.817 1.00 0.00 H new ATOM 136 N ALA A 12 5.512 -1.700 3.181 1.00 0.00 N ATOM 137 CA ALA A 12 6.410 -0.697 2.622 1.00 0.00 C ATOM 138 C ALA A 12 7.848 -1.202 2.594 1.00 0.00 C ATOM 139 O ALA A 12 8.293 -1.892 3.513 1.00 0.00 O ATOM 140 CB ALA A 12 6.318 0.596 3.419 1.00 0.00 C ATOM 0 H ALA A 12 5.053 -1.419 4.047 1.00 0.00 H new ATOM 0 HA ALA A 12 6.102 -0.501 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.994 1.336 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.296 0.974 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.598 0.406 4.455 1.00 0.00 H new ATOM 146 N LEU A 13 8.571 -0.855 1.535 1.00 0.00 N ATOM 147 CA LEU A 13 9.961 -1.275 1.387 1.00 0.00 C ATOM 148 C LEU A 13 10.910 -0.100 1.601 1.00 0.00 C ATOM 149 O LEU A 13 12.126 -0.278 1.677 1.00 0.00 O ATOM 150 CB LEU A 13 10.186 -1.880 0.000 1.00 0.00 C ATOM 151 CG LEU A 13 9.122 -2.866 -0.483 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.189 -3.027 -1.994 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.289 -4.212 0.207 1.00 0.00 C ATOM 0 H LEU A 13 8.219 -0.284 0.766 1.00 0.00 H new ATOM 0 HA LEU A 13 10.170 -2.030 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.254 -1.067 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.150 -2.388 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 13 8.141 -2.467 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.424 -3.732 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.018 -2.062 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.173 -3.402 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.523 -4.901 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.275 -4.617 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.188 -4.083 1.285 1.00 0.00 H new ATOM 165 N CYS A 14 10.346 1.099 1.700 1.00 0.00 N ATOM 166 CA CYS A 14 11.142 2.303 1.908 1.00 0.00 C ATOM 167 C CYS A 14 10.277 3.441 2.442 1.00 0.00 C ATOM 168 O CYS A 14 9.054 3.326 2.507 1.00 0.00 O ATOM 169 CB CYS A 14 11.814 2.727 0.602 1.00 0.00 C ATOM 170 SG CYS A 14 10.658 3.239 -0.691 1.00 0.00 S ATOM 0 H CYS A 14 9.341 1.263 1.640 1.00 0.00 H new ATOM 0 HA CYS A 14 11.911 2.077 2.647 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.499 3.549 0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.415 1.898 0.229 1.00 0.00 H new ATOM 0 HG CYS A 14 11.321 3.581 -1.755 1.00 0.00 H new ATOM 176 N ASN A 15 10.922 4.538 2.825 1.00 0.00 N ATOM 177 CA ASN A 15 10.213 5.696 3.356 1.00 0.00 C ATOM 178 C ASN A 15 9.400 6.384 2.263 1.00 0.00 C ATOM 179 O ASN A 15 9.953 6.864 1.273 1.00 0.00 O ATOM 180 CB ASN A 15 11.201 6.688 3.973 1.00 0.00 C ATOM 181 CG ASN A 15 12.177 7.241 2.953 1.00 0.00 C ATOM 182 OD1 ASN A 15 11.902 8.244 2.294 1.00 0.00 O ATOM 183 ND2 ASN A 15 13.325 6.588 2.817 1.00 0.00 N ATOM 0 H ASN A 15 11.935 4.649 2.777 1.00 0.00 H new ATOM 0 HA ASN A 15 9.528 5.348 4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.649 7.511 4.428 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.755 6.196 4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.020 6.914 2.146 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.512 5.761 3.384 1.00 0.00 H new ATOM 190 N TYR A 16 8.086 6.428 2.450 1.00 0.00 N ATOM 191 CA TYR A 16 7.196 7.055 1.480 1.00 0.00 C ATOM 192 C TYR A 16 6.350 8.140 2.139 1.00 0.00 C ATOM 193 O TYR A 16 5.424 8.676 1.529 1.00 0.00 O ATOM 194 CB TYR A 16 6.289 6.006 0.835 1.00 0.00 C ATOM 195 CG TYR A 16 5.908 6.329 -0.592 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.850 6.279 -1.611 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.605 6.684 -0.920 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.507 6.575 -2.916 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.252 6.979 -2.223 1.00 0.00 C ATOM 200 CZ TYR A 16 5.206 6.924 -3.217 1.00 0.00 C ATOM 201 OH TYR A 16 4.860 7.217 -4.516 1.00 0.00 O ATOM 0 H TYR A 16 7.613 6.037 3.265 1.00 0.00 H new ATOM 0 HA TYR A 16 7.810 7.518 0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.792 5.039 0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.382 5.907 1.431 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.868 6.004 -1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.856 6.730 -0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.253 6.534 -3.696 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.234 7.251 -2.462 1.00 0.00 H new ATOM 0 HH TYR A 16 3.907 7.442 -4.558 1.00 0.00 H new ATOM 211 N ARG A 17 6.675 8.459 3.387 1.00 0.00 N ATOM 212 CA ARG A 17 5.945 9.479 4.130 1.00 0.00 C ATOM 213 C ARG A 17 6.440 10.875 3.765 1.00 0.00 C ATOM 214 O ARG A 17 6.421 11.787 4.591 1.00 0.00 O ATOM 215 CB ARG A 17 6.097 9.250 5.635 1.00 0.00 C ATOM 216 CG ARG A 17 5.038 9.954 6.468 1.00 0.00 C ATOM 217 CD ARG A 17 3.838 9.053 6.719 1.00 0.00 C ATOM 218 NE ARG A 17 4.162 7.948 7.617 1.00 0.00 N ATOM 219 CZ ARG A 17 3.247 7.182 8.200 1.00 0.00 C ATOM 220 NH1 ARG A 17 1.957 7.401 7.982 1.00 0.00 N ATOM 221 NH2 ARG A 17 3.620 6.195 9.004 1.00 0.00 N ATOM 0 H ARG A 17 7.439 8.026 3.905 1.00 0.00 H new ATOM 0 HA ARG A 17 4.891 9.404 3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.054 8.180 5.837 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.082 9.595 5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.468 10.263 7.421 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.714 10.860 5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.026 9.641 7.146 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.478 8.655 5.770 1.00 0.00 H new ATOM 0 HE ARG A 17 5.145 7.754 7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.666 8.159 7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.257 6.811 8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.611 6.023 9.175 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.916 5.608 9.451 1.00 0.00 H new ATOM 235 N GLY A 18 6.883 11.035 2.522 1.00 0.00 N ATOM 236 CA GLY A 18 7.377 12.322 2.069 1.00 0.00 C ATOM 237 C GLY A 18 6.269 13.220 1.555 1.00 0.00 C ATOM 238 O GLY A 18 5.160 13.219 2.090 1.00 0.00 O ATOM 0 H GLY A 18 6.909 10.295 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.892 12.820 2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.112 12.168 1.279 1.00 0.00 H new ATOM 242 N LYS A 19 6.569 13.990 0.515 1.00 0.00 N ATOM 243 CA LYS A 19 5.591 14.898 -0.072 1.00 0.00 C ATOM 244 C LYS A 19 5.306 14.527 -1.524 1.00 0.00 C ATOM 245 O LYS A 19 6.135 14.750 -2.405 1.00 0.00 O ATOM 246 CB LYS A 19 6.093 16.342 0.007 1.00 0.00 C ATOM 247 CG LYS A 19 7.591 16.477 -0.205 1.00 0.00 C ATOM 248 CD LYS A 19 8.353 16.336 1.102 1.00 0.00 C ATOM 249 CE LYS A 19 9.746 15.769 0.876 1.00 0.00 C ATOM 250 NZ LYS A 19 10.684 16.149 1.968 1.00 0.00 N ATOM 0 H LYS A 19 7.482 14.003 0.061 1.00 0.00 H new ATOM 0 HA LYS A 19 4.665 14.810 0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.573 16.940 -0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.834 16.755 0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.930 15.717 -0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.810 17.446 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.429 17.309 1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.799 15.685 1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.689 14.683 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.134 16.128 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.622 15.743 1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.758 17.185 2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.327 15.784 2.874 1.00 0.00 H new ATOM 264 N ASN A 20 4.128 13.960 -1.765 1.00 0.00 N ATOM 265 CA ASN A 20 3.735 13.559 -3.111 1.00 0.00 C ATOM 266 C ASN A 20 2.339 14.075 -3.446 1.00 0.00 C ATOM 267 O ASN A 20 1.498 14.280 -2.569 1.00 0.00 O ATOM 268 CB ASN A 20 3.772 12.035 -3.243 1.00 0.00 C ATOM 269 CG ASN A 20 5.146 11.521 -3.627 1.00 0.00 C ATOM 270 OD1 ASN A 20 5.728 12.109 -4.666 1.00 0.00 O flip ATOM 271 ND2 ASN A 20 5.679 10.607 -2.997 1.00 0.00 N flip ATOM 0 H ASN A 20 3.430 13.768 -1.047 1.00 0.00 H new ATOM 0 HA ASN A 20 4.444 13.996 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.469 11.584 -2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.047 11.720 -3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.195 10.184 -2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.604 10.273 -3.267 1.00 0.00 H new ATOM 278 N PRO A 21 2.083 14.290 -4.745 1.00 0.00 N ATOM 279 CA PRO A 21 0.790 14.784 -5.226 1.00 0.00 C ATOM 280 C PRO A 21 -0.318 13.746 -5.080 1.00 0.00 C ATOM 281 O PRO A 21 -0.214 12.636 -5.599 1.00 0.00 O ATOM 282 CB PRO A 21 1.052 15.082 -6.705 1.00 0.00 C ATOM 283 CG PRO A 21 2.185 14.189 -7.076 1.00 0.00 C ATOM 284 CD PRO A 21 3.038 14.068 -5.844 1.00 0.00 C ATOM 0 HA PRO A 21 0.447 15.648 -4.657 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.171 14.877 -7.312 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.308 16.130 -6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.823 13.212 -7.397 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.755 14.606 -7.906 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.508 13.087 -5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.839 14.807 -5.836 1.00 0.00 H new ATOM 292 N GLY A 22 -1.379 14.116 -4.370 1.00 0.00 N ATOM 293 CA GLY A 22 -2.491 13.206 -4.168 1.00 0.00 C ATOM 294 C GLY A 22 -2.040 11.770 -3.990 1.00 0.00 C ATOM 295 O GLY A 22 -2.576 10.860 -4.622 1.00 0.00 O ATOM 0 H GLY A 22 -1.488 15.030 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.056 13.517 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.167 13.268 -5.021 1.00 0.00 H new ATOM 299 N ASP A 23 -1.049 11.565 -3.128 1.00 0.00 N ATOM 300 CA ASP A 23 -0.525 10.230 -2.869 1.00 0.00 C ATOM 301 C ASP A 23 -0.695 9.855 -1.400 1.00 0.00 C ATOM 302 O ASP A 23 -1.203 10.644 -0.602 1.00 0.00 O ATOM 303 CB ASP A 23 0.952 10.154 -3.259 1.00 0.00 C ATOM 304 CG ASP A 23 1.147 9.883 -4.738 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.175 9.458 -5.397 1.00 0.00 O ATOM 306 OD2 ASP A 23 2.271 10.097 -5.237 1.00 0.00 O ATOM 0 H ASP A 23 -0.593 12.307 -2.597 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.090 9.521 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.443 11.091 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.437 9.367 -2.681 1.00 0.00 H new ATOM 311 N LEU A 24 -0.270 8.646 -1.050 1.00 0.00 N ATOM 312 CA LEU A 24 -0.376 8.165 0.323 1.00 0.00 C ATOM 313 C LEU A 24 0.987 8.163 1.007 1.00 0.00 C ATOM 314 O LEU A 24 1.954 7.606 0.486 1.00 0.00 O ATOM 315 CB LEU A 24 -0.973 6.757 0.346 1.00 0.00 C ATOM 316 CG LEU A 24 -1.695 6.355 1.633 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.737 5.285 1.348 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.699 5.868 2.674 1.00 0.00 C ATOM 0 H LEU A 24 0.151 7.981 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.034 8.841 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.675 6.668 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.171 6.041 0.164 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.204 7.233 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.241 5.011 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.469 5.670 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.250 4.406 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.231 5.586 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.161 5.003 2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.009 6.665 2.900 1.00 0.00 H new ATOM 330 N LYS A 25 1.057 8.788 2.177 1.00 0.00 N ATOM 331 CA LYS A 25 2.301 8.857 2.935 1.00 0.00 C ATOM 332 C LYS A 25 2.390 7.712 3.939 1.00 0.00 C ATOM 333 O LYS A 25 1.505 7.538 4.777 1.00 0.00 O ATOM 334 CB LYS A 25 2.405 10.198 3.664 1.00 0.00 C ATOM 335 CG LYS A 25 2.819 11.349 2.764 1.00 0.00 C ATOM 336 CD LYS A 25 2.553 12.694 3.420 1.00 0.00 C ATOM 337 CE LYS A 25 1.078 13.060 3.361 1.00 0.00 C ATOM 338 NZ LYS A 25 0.784 14.301 4.131 1.00 0.00 N ATOM 0 H LYS A 25 0.266 9.255 2.622 1.00 0.00 H new ATOM 0 HA LYS A 25 3.130 8.767 2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.442 10.431 4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.126 10.105 4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.879 11.263 2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.275 11.289 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.880 12.664 4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.141 13.465 2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.779 13.198 2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.483 12.237 3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.231 14.517 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.046 14.161 5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.332 15.092 3.737 1.00 0.00 H new ATOM 352 N PHE A 26 3.463 6.934 3.850 1.00 0.00 N ATOM 353 CA PHE A 26 3.668 5.806 4.751 1.00 0.00 C ATOM 354 C PHE A 26 5.144 5.654 5.106 1.00 0.00 C ATOM 355 O PHE A 26 6.008 6.275 4.489 1.00 0.00 O ATOM 356 CB PHE A 26 3.149 4.516 4.113 1.00 0.00 C ATOM 357 CG PHE A 26 3.760 4.222 2.773 1.00 0.00 C ATOM 358 CD1 PHE A 26 4.922 3.474 2.676 1.00 0.00 C ATOM 359 CD2 PHE A 26 3.172 4.694 1.611 1.00 0.00 C ATOM 360 CE1 PHE A 26 5.486 3.201 1.444 1.00 0.00 C ATOM 361 CE2 PHE A 26 3.732 4.424 0.376 1.00 0.00 C ATOM 362 CZ PHE A 26 4.891 3.678 0.293 1.00 0.00 C ATOM 0 H PHE A 26 4.205 7.064 3.162 1.00 0.00 H new ATOM 0 HA PHE A 26 3.111 5.999 5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.349 3.682 4.785 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.067 4.584 4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.393 3.100 3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.266 5.279 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.391 2.615 1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.263 4.796 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.331 3.468 -0.671 1.00 0.00 H new ATOM 372 N ASN A 27 5.424 4.822 6.104 1.00 0.00 N ATOM 373 CA ASN A 27 6.795 4.588 6.542 1.00 0.00 C ATOM 374 C ASN A 27 7.171 3.118 6.388 1.00 0.00 C ATOM 375 O ASN A 27 6.361 2.227 6.647 1.00 0.00 O ATOM 376 CB ASN A 27 6.967 5.021 8.000 1.00 0.00 C ATOM 377 CG ASN A 27 6.393 4.010 8.974 1.00 0.00 C ATOM 378 OD1 ASN A 27 5.383 4.268 9.630 1.00 0.00 O ATOM 379 ND2 ASN A 27 7.037 2.853 9.075 1.00 0.00 N ATOM 0 H ASN A 27 4.720 4.299 6.624 1.00 0.00 H new ATOM 0 HA ASN A 27 7.458 5.182 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.027 5.164 8.211 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.479 5.984 8.150 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.698 2.135 9.716 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.870 2.682 8.512 1.00 0.00 H new ATOM 386 N LYS A 28 8.407 2.870 5.967 1.00 0.00 N ATOM 387 CA LYS A 28 8.894 1.509 5.780 1.00 0.00 C ATOM 388 C LYS A 28 8.519 0.629 6.968 1.00 0.00 C ATOM 389 O LYS A 28 8.958 0.869 8.093 1.00 0.00 O ATOM 390 CB LYS A 28 10.412 1.510 5.590 1.00 0.00 C ATOM 391 CG LYS A 28 11.039 0.130 5.694 1.00 0.00 C ATOM 392 CD LYS A 28 10.275 -0.893 4.870 1.00 0.00 C ATOM 393 CE LYS A 28 11.093 -2.158 4.654 1.00 0.00 C ATOM 394 NZ LYS A 28 10.227 -3.362 4.523 1.00 0.00 N ATOM 0 H LYS A 28 9.090 3.595 5.749 1.00 0.00 H new ATOM 0 HA LYS A 28 8.423 1.101 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.647 1.934 4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.863 2.162 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.074 0.173 5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.059 -0.184 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.341 -1.144 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.010 -0.460 3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.701 -2.048 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.780 -2.294 5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.774 -4.138 4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.889 -3.650 5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.413 -3.140 3.915 1.00 0.00 H new ATOM 408 N GLY A 29 7.707 -0.392 6.711 1.00 0.00 N ATOM 409 CA GLY A 29 7.289 -1.292 7.770 1.00 0.00 C ATOM 410 C GLY A 29 5.795 -1.237 8.022 1.00 0.00 C ATOM 411 O GLY A 29 5.218 -2.171 8.579 1.00 0.00 O ATOM 0 H GLY A 29 7.331 -0.612 5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.573 -2.312 7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.819 -1.038 8.688 1.00 0.00 H new ATOM 415 N ASP A 30 5.168 -0.140 7.613 1.00 0.00 N ATOM 416 CA ASP A 30 3.732 0.034 7.798 1.00 0.00 C ATOM 417 C ASP A 30 2.949 -0.851 6.833 1.00 0.00 C ATOM 418 O ASP A 30 3.350 -1.043 5.685 1.00 0.00 O ATOM 419 CB ASP A 30 3.344 1.500 7.595 1.00 0.00 C ATOM 420 CG ASP A 30 3.481 2.316 8.866 1.00 0.00 C ATOM 421 OD1 ASP A 30 4.379 2.005 9.677 1.00 0.00 O ATOM 422 OD2 ASP A 30 2.691 3.265 9.048 1.00 0.00 O ATOM 0 H ASP A 30 5.631 0.642 7.151 1.00 0.00 H new ATOM 0 HA ASP A 30 3.483 -0.262 8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.972 1.935 6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.315 1.555 7.241 1.00 0.00 H new ATOM 427 N VAL A 31 1.829 -1.388 7.307 1.00 0.00 N ATOM 428 CA VAL A 31 0.989 -2.252 6.486 1.00 0.00 C ATOM 429 C VAL A 31 -0.255 -1.514 6.006 1.00 0.00 C ATOM 430 O VAL A 31 -1.131 -1.170 6.800 1.00 0.00 O ATOM 431 CB VAL A 31 0.558 -3.513 7.259 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.354 -4.378 6.403 1.00 0.00 C ATOM 433 CG2 VAL A 31 1.777 -4.300 7.717 1.00 0.00 C ATOM 0 H VAL A 31 1.483 -1.240 8.255 1.00 0.00 H new ATOM 0 HA VAL A 31 1.587 -2.549 5.624 1.00 0.00 H new ATOM 0 HB VAL A 31 0.001 -3.203 8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.648 -5.264 6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.243 -3.810 6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.175 -4.681 5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.454 -5.187 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.363 -4.600 6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.388 -3.677 8.370 1.00 0.00 H new ATOM 443 N ILE A 32 -0.327 -1.274 4.701 1.00 0.00 N ATOM 444 CA ILE A 32 -1.465 -0.578 4.114 1.00 0.00 C ATOM 445 C ILE A 32 -2.487 -1.565 3.561 1.00 0.00 C ATOM 446 O ILE A 32 -2.145 -2.468 2.796 1.00 0.00 O ATOM 447 CB ILE A 32 -1.023 0.372 2.985 1.00 0.00 C ATOM 448 CG1 ILE A 32 0.059 1.330 3.489 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.216 1.148 2.448 1.00 0.00 C ATOM 450 CD1 ILE A 32 1.020 1.778 2.410 1.00 0.00 C ATOM 0 H ILE A 32 0.390 -1.551 4.030 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.923 0.007 4.912 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.606 -0.223 2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.419 2.207 3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.621 0.843 4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.887 1.815 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.957 0.451 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.660 1.735 3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.759 2.455 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.525 0.909 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.469 2.294 1.623 1.00 0.00 H new ATOM 462 N LEU A 33 -3.745 -1.387 3.951 1.00 0.00 N ATOM 463 CA LEU A 33 -4.819 -2.260 3.493 1.00 0.00 C ATOM 464 C LEU A 33 -5.311 -1.840 2.112 1.00 0.00 C ATOM 465 O LEU A 33 -5.667 -0.681 1.894 1.00 0.00 O ATOM 466 CB LEU A 33 -5.980 -2.239 4.489 1.00 0.00 C ATOM 467 CG LEU A 33 -5.825 -3.133 5.720 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.004 -2.432 6.790 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.189 -3.530 6.266 1.00 0.00 C ATOM 0 H LEU A 33 -4.046 -0.645 4.584 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.425 -3.274 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.125 -1.213 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.889 -2.533 3.963 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.297 -4.039 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.905 -3.084 7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.015 -2.200 6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.503 -1.509 7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.059 -4.166 7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.743 -2.634 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.743 -4.074 5.501 1.00 0.00 H new ATOM 481 N LEU A 34 -5.332 -2.790 1.183 1.00 0.00 N ATOM 482 CA LEU A 34 -5.783 -2.519 -0.177 1.00 0.00 C ATOM 483 C LEU A 34 -7.278 -2.218 -0.205 1.00 0.00 C ATOM 484 O LEU A 34 -8.092 -3.019 0.254 1.00 0.00 O ATOM 485 CB LEU A 34 -5.474 -3.711 -1.085 1.00 0.00 C ATOM 486 CG LEU A 34 -4.008 -3.894 -1.477 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.797 -5.249 -2.136 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.560 -2.773 -2.403 1.00 0.00 C ATOM 0 H LEU A 34 -5.042 -3.754 1.347 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.248 -1.643 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.812 -4.619 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.063 -3.610 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.402 -3.855 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.748 -5.362 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.078 -6.040 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.414 -5.318 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.514 -2.919 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.171 -2.780 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.674 -1.815 -1.896 1.00 0.00 H new ATOM 500 N ARG A 35 -7.633 -1.058 -0.750 1.00 0.00 N ATOM 501 CA ARG A 35 -9.030 -0.652 -0.839 1.00 0.00 C ATOM 502 C ARG A 35 -9.566 -0.855 -2.253 1.00 0.00 C ATOM 503 O ARG A 35 -10.660 -1.387 -2.442 1.00 0.00 O ATOM 504 CB ARG A 35 -9.183 0.814 -0.430 1.00 0.00 C ATOM 505 CG ARG A 35 -10.589 1.358 -0.629 1.00 0.00 C ATOM 506 CD ARG A 35 -11.502 0.978 0.526 1.00 0.00 C ATOM 507 NE ARG A 35 -11.192 1.730 1.739 1.00 0.00 N ATOM 508 CZ ARG A 35 -11.940 1.696 2.836 1.00 0.00 C ATOM 509 NH1 ARG A 35 -13.036 0.950 2.873 1.00 0.00 N ATOM 510 NH2 ARG A 35 -11.593 2.409 3.900 1.00 0.00 N ATOM 0 H ARG A 35 -6.972 -0.384 -1.136 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.608 -1.275 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.906 0.921 0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.483 1.419 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.551 2.443 -0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.001 0.973 -1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.539 1.158 0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.407 -0.089 0.727 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.355 2.313 1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.307 0.400 2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.608 0.926 3.717 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.751 2.984 3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.168 2.382 4.742 1.00 0.00 H new ATOM 524 N ARG A 36 -8.789 -0.428 -3.242 1.00 0.00 N ATOM 525 CA ARG A 36 -9.186 -0.561 -4.639 1.00 0.00 C ATOM 526 C ARG A 36 -7.963 -0.675 -5.544 1.00 0.00 C ATOM 527 O ARG A 36 -7.102 0.204 -5.551 1.00 0.00 O ATOM 528 CB ARG A 36 -10.040 0.635 -5.065 1.00 0.00 C ATOM 529 CG ARG A 36 -10.486 0.578 -6.517 1.00 0.00 C ATOM 530 CD ARG A 36 -10.866 1.955 -7.037 1.00 0.00 C ATOM 531 NE ARG A 36 -11.001 1.973 -8.491 1.00 0.00 N ATOM 532 CZ ARG A 36 -11.625 2.936 -9.160 1.00 0.00 C ATOM 533 NH1 ARG A 36 -12.169 3.955 -8.508 1.00 0.00 N ATOM 534 NH2 ARG A 36 -11.707 2.882 -10.483 1.00 0.00 N ATOM 0 H ARG A 36 -7.880 0.013 -3.102 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.775 -1.473 -4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.921 0.688 -4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.473 1.552 -4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.684 0.165 -7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.338 -0.096 -6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.806 2.268 -6.582 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.109 2.678 -6.734 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.594 1.203 -9.022 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.109 4.000 -7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.648 4.693 -9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.290 2.100 -10.988 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.187 3.622 -10.995 1.00 0.00 H new ATOM 548 N GLN A 37 -7.895 -1.763 -6.304 1.00 0.00 N ATOM 549 CA GLN A 37 -6.776 -1.992 -7.211 1.00 0.00 C ATOM 550 C GLN A 37 -7.049 -1.372 -8.578 1.00 0.00 C ATOM 551 O GLN A 37 -7.758 -1.950 -9.403 1.00 0.00 O ATOM 552 CB GLN A 37 -6.512 -3.491 -7.361 1.00 0.00 C ATOM 553 CG GLN A 37 -5.334 -3.813 -8.266 1.00 0.00 C ATOM 554 CD GLN A 37 -5.380 -5.231 -8.801 1.00 0.00 C ATOM 555 OE1 GLN A 37 -6.218 -6.034 -8.392 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.476 -5.546 -9.721 1.00 0.00 N ATOM 0 H GLN A 37 -8.601 -2.499 -6.310 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.892 -1.516 -6.786 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.330 -3.920 -6.376 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.406 -3.971 -7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.321 -3.114 -9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.406 -3.667 -7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.800 -4.848 -10.031 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.458 -6.486 -10.118 1.00 0.00 H new ATOM 565 N LEU A 38 -6.482 -0.193 -8.811 1.00 0.00 N ATOM 566 CA LEU A 38 -6.664 0.506 -10.078 1.00 0.00 C ATOM 567 C LEU A 38 -6.001 -0.256 -11.221 1.00 0.00 C ATOM 568 O LEU A 38 -6.629 -0.533 -12.243 1.00 0.00 O ATOM 569 CB LEU A 38 -6.087 1.920 -9.990 1.00 0.00 C ATOM 570 CG LEU A 38 -6.650 2.807 -8.879 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.659 3.903 -8.518 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.983 3.408 -9.300 1.00 0.00 C ATOM 0 H LEU A 38 -5.893 0.299 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.733 0.568 -10.280 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.008 1.843 -9.854 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.253 2.419 -10.945 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.816 2.190 -7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.076 4.524 -7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.728 3.453 -8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.461 4.518 -9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.369 4.036 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.843 4.011 -10.197 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.693 2.608 -9.508 1.00 0.00 H new ATOM 584 N ASP A 39 -4.729 -0.594 -11.040 1.00 0.00 N ATOM 585 CA ASP A 39 -3.981 -1.328 -12.054 1.00 0.00 C ATOM 586 C ASP A 39 -2.846 -2.127 -11.420 1.00 0.00 C ATOM 587 O ASP A 39 -2.678 -2.123 -10.201 1.00 0.00 O ATOM 588 CB ASP A 39 -3.420 -0.364 -13.101 1.00 0.00 C ATOM 589 CG ASP A 39 -3.290 -1.007 -14.468 1.00 0.00 C ATOM 590 OD1 ASP A 39 -3.426 -2.245 -14.557 1.00 0.00 O ATOM 591 OD2 ASP A 39 -3.053 -0.271 -15.450 1.00 0.00 O ATOM 0 H ASP A 39 -4.194 -0.371 -10.200 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.663 -2.025 -12.541 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.070 0.508 -13.173 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.443 -0.007 -12.776 1.00 0.00 H new ATOM 596 N GLU A 40 -2.071 -2.810 -12.257 1.00 0.00 N ATOM 597 CA GLU A 40 -0.954 -3.615 -11.777 1.00 0.00 C ATOM 598 C GLU A 40 0.297 -2.759 -11.601 1.00 0.00 C ATOM 599 O GLU A 40 1.418 -3.261 -11.659 1.00 0.00 O ATOM 600 CB GLU A 40 -0.668 -4.761 -12.750 1.00 0.00 C ATOM 601 CG GLU A 40 -0.373 -4.298 -14.167 1.00 0.00 C ATOM 602 CD GLU A 40 0.370 -5.342 -14.979 1.00 0.00 C ATOM 603 OE1 GLU A 40 1.023 -6.213 -14.368 1.00 0.00 O ATOM 604 OE2 GLU A 40 0.298 -5.287 -16.224 1.00 0.00 O ATOM 0 H GLU A 40 -2.196 -2.822 -13.269 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.229 -4.031 -10.807 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.181 -5.336 -12.381 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.525 -5.434 -12.768 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.310 -4.053 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.218 -3.383 -14.131 1.00 0.00 H new ATOM 611 N ASN A 41 0.094 -1.464 -11.385 1.00 0.00 N ATOM 612 CA ASN A 41 1.205 -0.537 -11.200 1.00 0.00 C ATOM 613 C ASN A 41 1.030 0.275 -9.921 1.00 0.00 C ATOM 614 O ASN A 41 2.007 0.649 -9.272 1.00 0.00 O ATOM 615 CB ASN A 41 1.317 0.403 -12.403 1.00 0.00 C ATOM 616 CG ASN A 41 1.504 -0.347 -13.707 1.00 0.00 C ATOM 617 OD1 ASN A 41 0.437 -0.978 -14.185 1.00 0.00 O flip ATOM 618 ND2 ASN A 41 2.594 -0.358 -14.279 1.00 0.00 N flip ATOM 0 H ASN A 41 -0.829 -1.032 -11.334 1.00 0.00 H new ATOM 0 HA ASN A 41 2.122 -1.120 -11.115 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.419 1.017 -12.466 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.157 1.081 -12.254 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.387 0.141 -13.875 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.704 -0.866 -15.157 1.00 0.00 H new ATOM 625 N TRP A 42 -0.221 0.543 -9.563 1.00 0.00 N ATOM 626 CA TRP A 42 -0.525 1.310 -8.360 1.00 0.00 C ATOM 627 C TRP A 42 -1.551 0.584 -7.497 1.00 0.00 C ATOM 628 O TRP A 42 -2.183 -0.375 -7.941 1.00 0.00 O ATOM 629 CB TRP A 42 -1.045 2.699 -8.734 1.00 0.00 C ATOM 630 CG TRP A 42 -0.003 3.574 -9.363 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.575 3.408 -10.589 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.585 4.749 -8.796 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.487 4.410 -10.818 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.511 5.246 -9.733 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.417 5.432 -7.588 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.266 6.392 -9.498 1.00 0.00 C ATOM 637 CZ3 TRP A 42 1.168 6.569 -7.356 1.00 0.00 C ATOM 638 CH2 TRP A 42 2.082 7.040 -8.307 1.00 0.00 C ATOM 0 H TRP A 42 -1.041 0.241 -10.089 1.00 0.00 H new ATOM 0 HA TRP A 42 0.395 1.417 -7.785 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.883 2.592 -9.423 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.428 3.189 -7.839 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.349 2.607 -11.277 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.054 4.514 -11.659 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.287 5.078 -6.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.972 6.756 -10.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.048 7.103 -6.425 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.653 7.932 -8.096 1.00 0.00 H new ATOM 649 N TYR A 43 -1.712 1.047 -6.262 1.00 0.00 N ATOM 650 CA TYR A 43 -2.660 0.441 -5.336 1.00 0.00 C ATOM 651 C TYR A 43 -3.302 1.498 -4.443 1.00 0.00 C ATOM 652 O TYR A 43 -2.609 2.279 -3.791 1.00 0.00 O ATOM 653 CB TYR A 43 -1.962 -0.614 -4.476 1.00 0.00 C ATOM 654 CG TYR A 43 -1.450 -1.797 -5.265 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.234 -2.397 -6.242 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.181 -2.315 -5.034 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.770 -3.479 -6.965 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.292 -3.395 -5.754 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.507 -3.974 -6.717 1.00 0.00 C ATOM 660 OH TYR A 43 -0.041 -5.051 -7.437 1.00 0.00 O ATOM 0 H TYR A 43 -1.198 1.840 -5.880 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.444 -0.038 -5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.127 -0.149 -3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.658 -0.969 -3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.223 -2.011 -6.440 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.446 -1.865 -4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.393 -3.935 -7.720 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.282 -3.783 -5.564 1.00 0.00 H new ATOM 0 HH TYR A 43 0.866 -5.275 -7.141 1.00 0.00 H new ATOM 670 N GLN A 44 -4.631 1.516 -4.419 1.00 0.00 N ATOM 671 CA GLN A 44 -5.367 2.477 -3.607 1.00 0.00 C ATOM 672 C GLN A 44 -5.814 1.848 -2.291 1.00 0.00 C ATOM 673 O GLN A 44 -6.490 0.821 -2.280 1.00 0.00 O ATOM 674 CB GLN A 44 -6.583 3.000 -4.374 1.00 0.00 C ATOM 675 CG GLN A 44 -7.285 4.158 -3.685 1.00 0.00 C ATOM 676 CD GLN A 44 -8.462 4.685 -4.482 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.625 4.361 -5.659 1.00 0.00 O ATOM 678 NE2 GLN A 44 -9.292 5.502 -3.843 1.00 0.00 N ATOM 0 H GLN A 44 -5.219 0.876 -4.952 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.701 3.311 -3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.266 3.317 -5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.294 2.185 -4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.631 3.835 -2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.571 4.965 -3.522 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.119 5.744 -2.867 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.102 5.887 -4.328 1.00 0.00 H new ATOM 687 N GLY A 45 -5.429 2.473 -1.182 1.00 0.00 N ATOM 688 CA GLY A 45 -5.798 1.960 0.125 1.00 0.00 C ATOM 689 C GLY A 45 -5.958 3.059 1.155 1.00 0.00 C ATOM 690 O GLY A 45 -6.195 4.215 0.807 1.00 0.00 O ATOM 0 H GLY A 45 -4.868 3.325 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.732 1.404 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.037 1.257 0.464 1.00 0.00 H new ATOM 694 N GLU A 46 -5.830 2.698 2.428 1.00 0.00 N ATOM 695 CA GLU A 46 -5.965 3.664 3.513 1.00 0.00 C ATOM 696 C GLU A 46 -5.156 3.229 4.732 1.00 0.00 C ATOM 697 O GLU A 46 -5.158 2.056 5.105 1.00 0.00 O ATOM 698 CB GLU A 46 -7.437 3.831 3.897 1.00 0.00 C ATOM 699 CG GLU A 46 -7.641 4.379 5.299 1.00 0.00 C ATOM 700 CD GLU A 46 -9.103 4.428 5.699 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.767 3.371 5.657 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.584 5.525 6.053 1.00 0.00 O ATOM 0 H GLU A 46 -5.633 1.745 2.733 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.578 4.621 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.917 4.499 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.937 2.866 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.094 3.760 6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.218 5.382 5.358 1.00 0.00 H new ATOM 709 N ILE A 47 -4.465 4.184 5.346 1.00 0.00 N ATOM 710 CA ILE A 47 -3.652 3.900 6.522 1.00 0.00 C ATOM 711 C ILE A 47 -3.783 5.010 7.561 1.00 0.00 C ATOM 712 O ILE A 47 -3.780 6.193 7.223 1.00 0.00 O ATOM 713 CB ILE A 47 -2.167 3.731 6.153 1.00 0.00 C ATOM 714 CG1 ILE A 47 -1.377 3.206 7.353 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.588 5.051 5.666 1.00 0.00 C ATOM 716 CD1 ILE A 47 -0.042 2.600 6.980 1.00 0.00 C ATOM 0 H ILE A 47 -4.452 5.160 5.049 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.021 2.965 6.943 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.089 3.003 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.212 4.024 8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.975 2.456 7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.537 4.915 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.136 5.386 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.675 5.799 6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.463 2.249 7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.200 1.761 6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.575 3.353 6.489 1.00 0.00 H new ATOM 728 N ASN A 48 -3.894 4.618 8.826 1.00 0.00 N ATOM 729 CA ASN A 48 -4.024 5.580 9.915 1.00 0.00 C ATOM 730 C ASN A 48 -5.102 6.613 9.602 1.00 0.00 C ATOM 731 O ASN A 48 -4.989 7.778 9.983 1.00 0.00 O ATOM 732 CB ASN A 48 -2.687 6.280 10.166 1.00 0.00 C ATOM 733 CG ASN A 48 -2.609 6.898 11.549 1.00 0.00 C ATOM 734 OD1 ASN A 48 -1.693 6.396 12.370 1.00 0.00 O flip ATOM 735 ND2 ASN A 48 -3.363 7.814 11.875 1.00 0.00 N flip ATOM 0 H ASN A 48 -3.897 3.642 9.122 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.317 5.037 10.814 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.876 5.562 10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.540 7.056 9.415 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.052 8.168 11.211 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.299 8.219 12.809 1.00 0.00 H new ATOM 742 N GLY A 49 -6.147 6.178 8.906 1.00 0.00 N ATOM 743 CA GLY A 49 -7.231 7.077 8.554 1.00 0.00 C ATOM 744 C GLY A 49 -6.863 8.012 7.419 1.00 0.00 C ATOM 745 O GLY A 49 -7.442 9.089 7.280 1.00 0.00 O ATOM 0 H GLY A 49 -6.263 5.219 8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.106 6.492 8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.510 7.664 9.429 1.00 0.00 H new ATOM 749 N VAL A 50 -5.895 7.601 6.606 1.00 0.00 N ATOM 750 CA VAL A 50 -5.450 8.410 5.478 1.00 0.00 C ATOM 751 C VAL A 50 -5.589 7.646 4.165 1.00 0.00 C ATOM 752 O VAL A 50 -5.012 6.572 3.997 1.00 0.00 O ATOM 753 CB VAL A 50 -3.985 8.853 5.648 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.514 9.625 4.425 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.825 9.688 6.910 1.00 0.00 C ATOM 0 H VAL A 50 -5.404 6.713 6.708 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.088 9.293 5.451 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.364 7.963 5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.477 9.929 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.591 8.990 3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.137 10.509 4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.784 9.993 7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.457 10.573 6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.119 9.097 7.777 1.00 0.00 H new ATOM 765 N SER A 51 -6.357 8.209 3.238 1.00 0.00 N ATOM 766 CA SER A 51 -6.574 7.579 1.941 1.00 0.00 C ATOM 767 C SER A 51 -5.596 8.121 0.903 1.00 0.00 C ATOM 768 O SER A 51 -5.366 9.327 0.821 1.00 0.00 O ATOM 769 CB SER A 51 -8.012 7.811 1.473 1.00 0.00 C ATOM 770 OG SER A 51 -8.180 9.126 0.972 1.00 0.00 O ATOM 0 H SER A 51 -6.839 9.099 3.361 1.00 0.00 H new ATOM 0 HA SER A 51 -6.403 6.508 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.267 7.088 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.699 7.644 2.303 1.00 0.00 H new ATOM 0 HG SER A 51 -9.107 9.248 0.678 1.00 0.00 H new ATOM 776 N GLY A 52 -5.023 7.219 0.112 1.00 0.00 N ATOM 777 CA GLY A 52 -4.076 7.625 -0.911 1.00 0.00 C ATOM 778 C GLY A 52 -3.688 6.482 -1.828 1.00 0.00 C ATOM 779 O GLY A 52 -4.070 5.334 -1.596 1.00 0.00 O ATOM 0 H GLY A 52 -5.197 6.215 0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.509 8.431 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.181 8.025 -0.435 1.00 0.00 H new ATOM 783 N ILE A 53 -2.929 6.795 -2.872 1.00 0.00 N ATOM 784 CA ILE A 53 -2.491 5.785 -3.828 1.00 0.00 C ATOM 785 C ILE A 53 -0.971 5.655 -3.831 1.00 0.00 C ATOM 786 O ILE A 53 -0.252 6.654 -3.813 1.00 0.00 O ATOM 787 CB ILE A 53 -2.970 6.113 -5.254 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.510 7.515 -5.660 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.485 6.001 -5.343 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.618 7.780 -7.145 1.00 0.00 C ATOM 0 H ILE A 53 -2.604 7.740 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.934 4.840 -3.514 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.531 5.392 -5.944 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.105 8.254 -5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.475 7.653 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.808 6.236 -6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.790 4.985 -5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.943 6.701 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.275 8.792 -7.360 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.000 7.065 -7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.656 7.674 -7.459 1.00 0.00 H new ATOM 802 N PHE A 54 -0.489 4.417 -3.857 1.00 0.00 N ATOM 803 CA PHE A 54 0.945 4.155 -3.864 1.00 0.00 C ATOM 804 C PHE A 54 1.301 3.105 -4.913 1.00 0.00 C ATOM 805 O PHE A 54 0.493 2.247 -5.268 1.00 0.00 O ATOM 806 CB PHE A 54 1.407 3.689 -2.482 1.00 0.00 C ATOM 807 CG PHE A 54 0.511 2.651 -1.869 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.624 3.024 -1.168 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.804 1.303 -1.995 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.450 2.071 -0.602 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.019 0.345 -1.432 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.148 0.730 -0.735 1.00 0.00 C ATOM 0 H PHE A 54 -1.071 3.579 -3.874 1.00 0.00 H new ATOM 0 HA PHE A 54 1.457 5.083 -4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.416 3.285 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.461 4.550 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.866 4.071 -1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.685 0.997 -2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.331 2.375 -0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.220 -0.703 -1.537 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.793 -0.016 -0.295 1.00 0.00 H new ATOM 822 N PRO A 55 2.541 3.174 -5.421 1.00 0.00 N ATOM 823 CA PRO A 55 3.033 2.238 -6.436 1.00 0.00 C ATOM 824 C PRO A 55 3.233 0.832 -5.880 1.00 0.00 C ATOM 825 O PRO A 55 3.283 0.636 -4.666 1.00 0.00 O ATOM 826 CB PRO A 55 4.375 2.843 -6.856 1.00 0.00 C ATOM 827 CG PRO A 55 4.814 3.643 -5.678 1.00 0.00 C ATOM 828 CD PRO A 55 3.557 4.170 -5.043 1.00 0.00 C ATOM 0 HA PRO A 55 2.327 2.120 -7.258 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.100 2.067 -7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.267 3.469 -7.742 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.377 3.028 -4.976 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.469 4.459 -5.983 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.657 4.251 -3.961 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.304 5.163 -5.415 1.00 0.00 H new ATOM 836 N ALA A 56 3.348 -0.143 -6.775 1.00 0.00 N ATOM 837 CA ALA A 56 3.546 -1.530 -6.373 1.00 0.00 C ATOM 838 C ALA A 56 5.030 -1.859 -6.247 1.00 0.00 C ATOM 839 O ALA A 56 5.400 -2.997 -5.960 1.00 0.00 O ATOM 840 CB ALA A 56 2.878 -2.468 -7.368 1.00 0.00 C ATOM 0 H ALA A 56 3.307 0.002 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 56 3.086 -1.668 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.034 -3.501 -7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.809 -2.257 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.312 -2.319 -8.357 1.00 0.00 H new ATOM 846 N SER A 57 5.874 -0.856 -6.464 1.00 0.00 N ATOM 847 CA SER A 57 7.318 -1.040 -6.379 1.00 0.00 C ATOM 848 C SER A 57 7.850 -0.553 -5.034 1.00 0.00 C ATOM 849 O SER A 57 8.951 -0.916 -4.621 1.00 0.00 O ATOM 850 CB SER A 57 8.017 -0.294 -7.517 1.00 0.00 C ATOM 851 OG SER A 57 7.633 1.070 -7.544 1.00 0.00 O ATOM 0 H SER A 57 5.583 0.093 -6.700 1.00 0.00 H new ATOM 0 HA SER A 57 7.529 -2.106 -6.469 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.098 -0.369 -7.395 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.770 -0.763 -8.469 1.00 0.00 H new ATOM 0 HG SER A 57 8.095 1.525 -8.279 1.00 0.00 H new ATOM 857 N SER A 58 7.059 0.273 -4.357 1.00 0.00 N ATOM 858 CA SER A 58 7.450 0.814 -3.060 1.00 0.00 C ATOM 859 C SER A 58 6.985 -0.097 -1.928 1.00 0.00 C ATOM 860 O SER A 58 7.421 0.041 -0.785 1.00 0.00 O ATOM 861 CB SER A 58 6.869 2.217 -2.873 1.00 0.00 C ATOM 862 OG SER A 58 5.452 2.187 -2.882 1.00 0.00 O ATOM 0 H SER A 58 6.144 0.582 -4.685 1.00 0.00 H new ATOM 0 HA SER A 58 8.538 0.872 -3.032 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.221 2.637 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.227 2.871 -3.668 1.00 0.00 H new ATOM 0 HG SER A 58 5.105 3.095 -2.759 1.00 0.00 H new ATOM 868 N VAL A 59 6.095 -1.029 -2.255 1.00 0.00 N ATOM 869 CA VAL A 59 5.569 -1.964 -1.267 1.00 0.00 C ATOM 870 C VAL A 59 5.576 -3.391 -1.804 1.00 0.00 C ATOM 871 O VAL A 59 5.920 -3.627 -2.961 1.00 0.00 O ATOM 872 CB VAL A 59 4.135 -1.591 -0.849 1.00 0.00 C ATOM 873 CG1 VAL A 59 4.036 -0.104 -0.546 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.144 -1.990 -1.931 1.00 0.00 C ATOM 0 H VAL A 59 5.723 -1.157 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 59 6.220 -1.904 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 59 3.886 -2.139 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.015 0.140 -0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.717 0.148 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.304 0.467 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.136 -1.719 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.389 -1.471 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.196 -3.067 -2.093 1.00 0.00 H new ATOM 884 N GLU A 60 5.192 -4.339 -0.954 1.00 0.00 N ATOM 885 CA GLU A 60 5.155 -5.743 -1.344 1.00 0.00 C ATOM 886 C GLU A 60 3.930 -6.438 -0.756 1.00 0.00 C ATOM 887 O GLU A 60 3.576 -6.221 0.403 1.00 0.00 O ATOM 888 CB GLU A 60 6.428 -6.457 -0.886 1.00 0.00 C ATOM 889 CG GLU A 60 7.572 -6.360 -1.883 1.00 0.00 C ATOM 890 CD GLU A 60 7.522 -7.451 -2.935 1.00 0.00 C ATOM 891 OE1 GLU A 60 7.571 -8.641 -2.558 1.00 0.00 O ATOM 892 OE2 GLU A 60 7.436 -7.116 -4.134 1.00 0.00 O ATOM 0 H GLU A 60 4.903 -4.160 0.008 1.00 0.00 H new ATOM 0 HA GLU A 60 5.092 -5.790 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.750 -6.034 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.201 -7.508 -0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.541 -5.387 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.520 -6.418 -1.349 1.00 0.00 H new ATOM 899 N VAL A 61 3.286 -7.275 -1.564 1.00 0.00 N ATOM 900 CA VAL A 61 2.102 -8.003 -1.125 1.00 0.00 C ATOM 901 C VAL A 61 2.483 -9.310 -0.440 1.00 0.00 C ATOM 902 O VAL A 61 1.638 -10.181 -0.228 1.00 0.00 O ATOM 903 CB VAL A 61 1.162 -8.309 -2.306 1.00 0.00 C ATOM 904 CG1 VAL A 61 -0.140 -8.918 -1.808 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.896 -7.049 -3.116 1.00 0.00 C ATOM 0 H VAL A 61 3.565 -7.465 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 61 1.582 -7.362 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 61 1.649 -9.035 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.792 -9.128 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.072 -9.845 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.635 -8.218 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.230 -7.284 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.430 -6.298 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.837 -6.661 -3.505 1.00 0.00 H new ATOM 915 N ILE A 62 3.759 -9.442 -0.096 1.00 0.00 N ATOM 916 CA ILE A 62 4.252 -10.643 0.566 1.00 0.00 C ATOM 917 C ILE A 62 3.750 -10.722 2.004 1.00 0.00 C ATOM 918 O ILE A 62 3.588 -11.810 2.557 1.00 0.00 O ATOM 919 CB ILE A 62 5.791 -10.695 0.568 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.364 -9.449 1.246 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.318 -10.819 -0.854 1.00 0.00 C ATOM 922 CD1 ILE A 62 6.565 -9.611 2.737 1.00 0.00 C ATOM 0 H ILE A 62 4.471 -8.731 -0.265 1.00 0.00 H new ATOM 0 HA ILE A 62 3.870 -11.494 0.002 1.00 0.00 H new ATOM 0 HB ILE A 62 6.110 -11.572 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.319 -9.200 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.695 -8.608 1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.407 -10.855 -0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.932 -11.733 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.992 -9.959 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.974 -8.689 3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.608 -9.829 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.258 -10.431 2.924 1.00 0.00 H new