USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=7 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= -0.0638 X(o=-0.064,f=-0.064) 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 : amide:sc= -0.0743 K(o=-0.074,f=-0.9) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -0.0568 (180deg=-0.511) USER MOD Single : A 27 ASN : amide:sc= -0.163 K(o=-0.16,f=-2.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.75) USER MOD Single : A 41 ASN : amide:sc= -0.591 K(o=-0.59,f=-0.035) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.535 K(o=-0.54,f=-3.9!) USER MOD Single : A 48 ASN : amide:sc= -0.017 K(o=-0.017,f=-0.76!) USER MOD Single : A 51 SER OG : rot -19:sc= 0.0459 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -54:sc= -0.828 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -6.274 -8.830 0.826 1.00 0.00 N ATOM 67 CA PRO A 8 -4.844 -8.656 0.555 1.00 0.00 C ATOM 68 C PRO A 8 -4.282 -7.392 1.197 1.00 0.00 C ATOM 69 O PRO A 8 -4.983 -6.389 1.331 1.00 0.00 O ATOM 70 CB PRO A 8 -4.781 -8.555 -0.971 1.00 0.00 C ATOM 71 CG PRO A 8 -6.126 -8.055 -1.373 1.00 0.00 C ATOM 72 CD PRO A 8 -7.096 -8.634 -0.380 1.00 0.00 C ATOM 0 HA PRO A 8 -4.249 -9.472 0.966 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.993 -7.873 -1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.567 -9.523 -1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.157 -6.966 -1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.372 -8.369 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.930 -7.958 -0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.521 -9.573 -0.734 1.00 0.00 H new ATOM 80 N ARG A 9 -3.014 -7.447 1.591 1.00 0.00 N ATOM 81 CA ARG A 9 -2.359 -6.306 2.219 1.00 0.00 C ATOM 82 C ARG A 9 -1.035 -5.991 1.529 1.00 0.00 C ATOM 83 O ARG A 9 -0.580 -6.742 0.666 1.00 0.00 O ATOM 84 CB ARG A 9 -2.119 -6.583 3.704 1.00 0.00 C ATOM 85 CG ARG A 9 -3.398 -6.704 4.516 1.00 0.00 C ATOM 86 CD ARG A 9 -3.114 -6.684 6.010 1.00 0.00 C ATOM 87 NE ARG A 9 -2.884 -5.329 6.505 1.00 0.00 N ATOM 88 CZ ARG A 9 -3.025 -4.978 7.778 1.00 0.00 C ATOM 89 NH1 ARG A 9 -3.393 -5.877 8.680 1.00 0.00 N ATOM 90 NH2 ARG A 9 -2.798 -3.725 8.151 1.00 0.00 N ATOM 0 H ARG A 9 -2.420 -8.269 1.486 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.016 -5.442 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.546 -7.505 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.509 -5.781 4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.071 -5.885 4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.910 -7.630 4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.954 -7.128 6.545 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.240 -7.300 6.221 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.600 -4.613 5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.569 -6.841 8.397 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.501 -5.605 9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.515 -3.030 7.460 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.907 -3.456 9.129 1.00 0.00 H new ATOM 104 N ALA A 10 -0.422 -4.877 1.915 1.00 0.00 N ATOM 105 CA ALA A 10 0.849 -4.464 1.334 1.00 0.00 C ATOM 106 C ALA A 10 1.760 -3.846 2.390 1.00 0.00 C ATOM 107 O ALA A 10 1.303 -3.108 3.264 1.00 0.00 O ATOM 108 CB ALA A 10 0.616 -3.482 0.196 1.00 0.00 C ATOM 0 H ALA A 10 -0.785 -4.244 2.628 1.00 0.00 H new ATOM 0 HA ALA A 10 1.344 -5.351 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.574 -3.182 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.010 -3.957 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.096 -2.602 0.575 1.00 0.00 H new ATOM 114 N LYS A 11 3.050 -4.152 2.305 1.00 0.00 N ATOM 115 CA LYS A 11 4.026 -3.627 3.252 1.00 0.00 C ATOM 116 C LYS A 11 4.993 -2.670 2.563 1.00 0.00 C ATOM 117 O LYS A 11 5.394 -2.893 1.421 1.00 0.00 O ATOM 118 CB LYS A 11 4.803 -4.773 3.903 1.00 0.00 C ATOM 119 CG LYS A 11 5.324 -4.443 5.292 1.00 0.00 C ATOM 120 CD LYS A 11 6.599 -5.208 5.605 1.00 0.00 C ATOM 121 CE LYS A 11 6.320 -6.684 5.842 1.00 0.00 C ATOM 122 NZ LYS A 11 5.872 -6.947 7.237 1.00 0.00 N ATOM 0 H LYS A 11 3.444 -4.762 1.589 1.00 0.00 H new ATOM 0 HA LYS A 11 3.487 -3.077 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.158 -5.649 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.644 -5.041 3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.514 -3.372 5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.563 -4.684 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.303 -5.098 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.074 -4.780 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.555 -7.025 5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.221 -7.262 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.692 -7.964 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.612 -6.645 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.998 -6.416 7.427 1.00 0.00 H new ATOM 136 N ALA A 12 5.364 -1.604 3.264 1.00 0.00 N ATOM 137 CA ALA A 12 6.287 -0.615 2.721 1.00 0.00 C ATOM 138 C ALA A 12 7.723 -1.124 2.762 1.00 0.00 C ATOM 139 O ALA A 12 8.169 -1.675 3.769 1.00 0.00 O ATOM 140 CB ALA A 12 6.167 0.695 3.485 1.00 0.00 C ATOM 0 H ALA A 12 5.039 -1.403 4.210 1.00 0.00 H new ATOM 0 HA ALA A 12 6.021 -0.440 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.862 1.424 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.149 1.074 3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.404 0.527 4.535 1.00 0.00 H new ATOM 146 N LEU A 13 8.444 -0.937 1.662 1.00 0.00 N ATOM 147 CA LEU A 13 9.832 -1.378 1.572 1.00 0.00 C ATOM 148 C LEU A 13 10.789 -0.222 1.843 1.00 0.00 C ATOM 149 O LEU A 13 11.905 -0.426 2.321 1.00 0.00 O ATOM 150 CB LEU A 13 10.110 -1.972 0.190 1.00 0.00 C ATOM 151 CG LEU A 13 9.186 -3.108 -0.250 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.623 -3.660 -1.598 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.161 -4.212 0.797 1.00 0.00 C ATOM 0 H LEU A 13 8.091 -0.483 0.820 1.00 0.00 H new ATOM 0 HA LEU A 13 9.994 -2.145 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.045 -1.172 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.136 -2.338 0.174 1.00 0.00 H new ATOM 0 HG LEU A 13 8.177 -2.710 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.954 -4.468 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.588 -2.867 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.641 -4.042 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.498 -5.012 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.168 -4.608 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.799 -3.808 1.743 1.00 0.00 H new ATOM 165 N CYS A 14 10.345 0.992 1.535 1.00 0.00 N ATOM 166 CA CYS A 14 11.162 2.182 1.747 1.00 0.00 C ATOM 167 C CYS A 14 10.322 3.326 2.303 1.00 0.00 C ATOM 168 O CYS A 14 9.111 3.194 2.476 1.00 0.00 O ATOM 169 CB CYS A 14 11.825 2.610 0.437 1.00 0.00 C ATOM 170 SG CYS A 14 10.664 3.178 -0.827 1.00 0.00 S ATOM 0 H CYS A 14 9.424 1.178 1.138 1.00 0.00 H new ATOM 0 HA CYS A 14 11.936 1.937 2.475 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.537 3.409 0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.396 1.771 0.040 1.00 0.00 H new ATOM 0 HG CYS A 14 11.320 3.520 -1.896 1.00 0.00 H new ATOM 176 N ASN A 15 10.973 4.450 2.583 1.00 0.00 N ATOM 177 CA ASN A 15 10.286 5.618 3.123 1.00 0.00 C ATOM 178 C ASN A 15 9.502 6.340 2.032 1.00 0.00 C ATOM 179 O ASN A 15 10.078 6.828 1.059 1.00 0.00 O ATOM 180 CB ASN A 15 11.292 6.577 3.763 1.00 0.00 C ATOM 181 CG ASN A 15 12.408 5.846 4.486 1.00 0.00 C ATOM 182 OD1 ASN A 15 13.575 5.943 4.108 1.00 0.00 O ATOM 183 ND2 ASN A 15 12.052 5.110 5.532 1.00 0.00 N ATOM 0 H ASN A 15 11.976 4.577 2.445 1.00 0.00 H new ATOM 0 HA ASN A 15 9.585 5.276 3.884 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.721 7.217 2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.773 7.228 4.466 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.759 4.596 6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.072 5.059 5.810 1.00 0.00 H new ATOM 190 N TYR A 16 8.187 6.405 2.201 1.00 0.00 N ATOM 191 CA TYR A 16 7.323 7.066 1.230 1.00 0.00 C ATOM 192 C TYR A 16 6.532 8.195 1.883 1.00 0.00 C ATOM 193 O TYR A 16 5.630 8.770 1.274 1.00 0.00 O ATOM 194 CB TYR A 16 6.363 6.056 0.598 1.00 0.00 C ATOM 195 CG TYR A 16 5.931 6.425 -0.803 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.825 6.368 -1.865 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.628 6.831 -1.064 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.434 6.706 -3.146 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.228 7.169 -2.343 1.00 0.00 C ATOM 200 CZ TYR A 16 5.134 7.106 -3.380 1.00 0.00 C ATOM 201 OH TYR A 16 4.741 7.441 -4.655 1.00 0.00 O ATOM 0 H TYR A 16 7.695 6.008 3.002 1.00 0.00 H new ATOM 0 HA TYR A 16 7.956 7.493 0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.842 5.077 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.479 5.964 1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.843 6.054 -1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.916 6.883 -0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.142 6.658 -3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.211 7.481 -2.529 1.00 0.00 H new ATOM 0 HH TYR A 16 3.796 7.699 -4.649 1.00 0.00 H new ATOM 211 N ARG A 17 6.878 8.507 3.128 1.00 0.00 N ATOM 212 CA ARG A 17 6.202 9.567 3.866 1.00 0.00 C ATOM 213 C ARG A 17 6.762 10.935 3.489 1.00 0.00 C ATOM 214 O ARG A 17 6.790 11.853 4.308 1.00 0.00 O ATOM 215 CB ARG A 17 6.347 9.341 5.372 1.00 0.00 C ATOM 216 CG ARG A 17 5.309 10.080 6.202 1.00 0.00 C ATOM 217 CD ARG A 17 4.077 9.223 6.444 1.00 0.00 C ATOM 218 NE ARG A 17 2.894 10.032 6.724 1.00 0.00 N ATOM 219 CZ ARG A 17 2.613 10.535 7.921 1.00 0.00 C ATOM 220 NH1 ARG A 17 3.427 10.312 8.944 1.00 0.00 N ATOM 221 NH2 ARG A 17 1.517 11.262 8.096 1.00 0.00 N ATOM 0 H ARG A 17 7.622 8.041 3.646 1.00 0.00 H new ATOM 0 HA ARG A 17 5.145 9.542 3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.273 8.273 5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.342 9.658 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.745 10.370 7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.020 10.999 5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.891 8.600 5.569 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.262 8.550 7.281 1.00 0.00 H new ATOM 0 HE ARG A 17 2.248 10.221 5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.270 9.754 8.812 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.210 10.699 9.862 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.889 11.435 7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.302 11.648 9.016 1.00 0.00 H new ATOM 235 N GLY A 18 7.208 11.064 2.243 1.00 0.00 N ATOM 236 CA GLY A 18 7.762 12.323 1.780 1.00 0.00 C ATOM 237 C GLY A 18 6.694 13.281 1.290 1.00 0.00 C ATOM 238 O GLY A 18 5.597 13.338 1.847 1.00 0.00 O ATOM 0 H GLY A 18 7.196 10.319 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.321 12.791 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.470 12.130 0.974 1.00 0.00 H new ATOM 242 N LYS A 19 7.015 14.039 0.247 1.00 0.00 N ATOM 243 CA LYS A 19 6.075 15.000 -0.318 1.00 0.00 C ATOM 244 C LYS A 19 5.744 14.651 -1.765 1.00 0.00 C ATOM 245 O LYS A 19 6.566 14.834 -2.662 1.00 0.00 O ATOM 246 CB LYS A 19 6.655 16.414 -0.244 1.00 0.00 C ATOM 247 CG LYS A 19 7.915 16.599 -1.072 1.00 0.00 C ATOM 248 CD LYS A 19 8.790 17.711 -0.517 1.00 0.00 C ATOM 249 CE LYS A 19 9.638 17.224 0.648 1.00 0.00 C ATOM 250 NZ LYS A 19 10.905 17.996 0.773 1.00 0.00 N ATOM 0 H LYS A 19 7.919 14.006 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 19 5.156 14.959 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.901 17.125 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.876 16.653 0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.479 15.666 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.644 16.828 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.438 18.093 -1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.163 18.540 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.068 17.310 1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.869 16.167 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.454 17.634 1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.461 17.894 -0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.685 19.001 0.928 1.00 0.00 H new ATOM 264 N ASN A 20 4.533 14.148 -1.985 1.00 0.00 N ATOM 265 CA ASN A 20 4.093 13.773 -3.324 1.00 0.00 C ATOM 266 C ASN A 20 2.709 14.343 -3.621 1.00 0.00 C ATOM 267 O ASN A 20 1.912 14.605 -2.720 1.00 0.00 O ATOM 268 CB ASN A 20 4.072 12.250 -3.470 1.00 0.00 C ATOM 269 CG ASN A 20 5.419 11.691 -3.885 1.00 0.00 C ATOM 270 OD1 ASN A 20 6.116 12.273 -4.717 1.00 0.00 O ATOM 271 ND2 ASN A 20 5.792 10.555 -3.306 1.00 0.00 N ATOM 0 H ASN A 20 3.840 13.991 -1.254 1.00 0.00 H new ATOM 0 HA ASN A 20 4.800 14.190 -4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.771 11.801 -2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.322 11.969 -4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.688 10.131 -3.546 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.182 10.107 -2.622 1.00 0.00 H new ATOM 278 N PRO A 21 2.414 14.538 -4.915 1.00 0.00 N ATOM 279 CA PRO A 21 1.126 15.077 -5.361 1.00 0.00 C ATOM 280 C PRO A 21 -0.019 14.093 -5.148 1.00 0.00 C ATOM 281 O PRO A 21 0.025 12.962 -5.629 1.00 0.00 O ATOM 282 CB PRO A 21 1.345 15.329 -6.855 1.00 0.00 C ATOM 283 CG PRO A 21 2.423 14.378 -7.245 1.00 0.00 C ATOM 284 CD PRO A 21 3.316 14.248 -6.042 1.00 0.00 C ATOM 0 HA PRO A 21 0.841 15.968 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.433 15.149 -7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.640 16.361 -7.043 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.007 13.411 -7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.979 14.750 -8.105 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.745 13.249 -5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.148 14.951 -6.082 1.00 0.00 H new ATOM 292 N GLY A 22 -1.044 14.532 -4.423 1.00 0.00 N ATOM 293 CA GLY A 22 -2.186 13.677 -4.160 1.00 0.00 C ATOM 294 C GLY A 22 -1.797 12.221 -4.004 1.00 0.00 C ATOM 295 O GLY A 22 -2.364 11.346 -4.660 1.00 0.00 O ATOM 0 H GLY A 22 -1.103 15.464 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.688 14.015 -3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.903 13.773 -4.975 1.00 0.00 H new ATOM 299 N ASP A 23 -0.825 11.959 -3.137 1.00 0.00 N ATOM 300 CA ASP A 23 -0.360 10.598 -2.898 1.00 0.00 C ATOM 301 C ASP A 23 -0.524 10.218 -1.430 1.00 0.00 C ATOM 302 O ASP A 23 -0.978 11.023 -0.616 1.00 0.00 O ATOM 303 CB ASP A 23 1.105 10.457 -3.313 1.00 0.00 C ATOM 304 CG ASP A 23 1.264 10.206 -4.800 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.249 9.904 -5.463 1.00 0.00 O ATOM 306 OD2 ASP A 23 2.402 10.312 -5.301 1.00 0.00 O ATOM 0 H ASP A 23 -0.344 12.671 -2.588 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.967 9.922 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.646 11.363 -3.041 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.559 9.636 -2.758 1.00 0.00 H new ATOM 311 N LEU A 24 -0.152 8.986 -1.098 1.00 0.00 N ATOM 312 CA LEU A 24 -0.258 8.498 0.273 1.00 0.00 C ATOM 313 C LEU A 24 1.115 8.427 0.934 1.00 0.00 C ATOM 314 O LEU A 24 2.051 7.846 0.384 1.00 0.00 O ATOM 315 CB LEU A 24 -0.919 7.119 0.294 1.00 0.00 C ATOM 316 CG LEU A 24 -1.675 6.756 1.572 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.696 5.662 1.297 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.705 6.321 2.661 1.00 0.00 C ATOM 0 H LEU A 24 0.225 8.307 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.875 9.199 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.613 7.058 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.149 6.366 0.125 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.207 7.642 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.224 5.417 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.410 6.010 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.186 4.774 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.261 6.067 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.145 5.450 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.013 7.135 2.879 1.00 0.00 H new ATOM 330 N LYS A 25 1.227 9.019 2.118 1.00 0.00 N ATOM 331 CA LYS A 25 2.484 9.021 2.857 1.00 0.00 C ATOM 332 C LYS A 25 2.561 7.826 3.802 1.00 0.00 C ATOM 333 O LYS A 25 1.693 7.640 4.655 1.00 0.00 O ATOM 334 CB LYS A 25 2.632 10.322 3.649 1.00 0.00 C ATOM 335 CG LYS A 25 2.922 11.533 2.780 1.00 0.00 C ATOM 336 CD LYS A 25 1.642 12.163 2.256 1.00 0.00 C ATOM 337 CE LYS A 25 1.898 12.982 1.000 1.00 0.00 C ATOM 338 NZ LYS A 25 2.250 12.119 -0.162 1.00 0.00 N ATOM 0 H LYS A 25 0.462 9.504 2.587 1.00 0.00 H new ATOM 0 HA LYS A 25 3.300 8.946 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.716 10.501 4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.436 10.206 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.482 12.270 3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.553 11.238 1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.913 11.382 2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.208 12.801 3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.011 13.568 0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.707 13.689 1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.055 12.631 -1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.260 11.874 -0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.681 11.249 -0.133 1.00 0.00 H new ATOM 352 N PHE A 26 3.606 7.020 3.646 1.00 0.00 N ATOM 353 CA PHE A 26 3.796 5.843 4.486 1.00 0.00 C ATOM 354 C PHE A 26 5.276 5.619 4.781 1.00 0.00 C ATOM 355 O PHE A 26 6.143 6.046 4.020 1.00 0.00 O ATOM 356 CB PHE A 26 3.207 4.605 3.807 1.00 0.00 C ATOM 357 CG PHE A 26 3.848 4.283 2.488 1.00 0.00 C ATOM 358 CD1 PHE A 26 5.003 3.520 2.431 1.00 0.00 C ATOM 359 CD2 PHE A 26 3.296 4.744 1.303 1.00 0.00 C ATOM 360 CE1 PHE A 26 5.595 3.221 1.219 1.00 0.00 C ATOM 361 CE2 PHE A 26 3.883 4.448 0.088 1.00 0.00 C ATOM 362 CZ PHE A 26 5.035 3.686 0.045 1.00 0.00 C ATOM 0 H PHE A 26 4.334 7.160 2.946 1.00 0.00 H new ATOM 0 HA PHE A 26 3.277 6.013 5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.315 3.749 4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.138 4.758 3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.446 3.154 3.345 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.397 5.341 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.495 2.624 1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.442 4.812 -0.828 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.496 3.455 -0.904 1.00 0.00 H new ATOM 372 N ASN A 27 5.557 4.947 5.893 1.00 0.00 N ATOM 373 CA ASN A 27 6.931 4.667 6.290 1.00 0.00 C ATOM 374 C ASN A 27 7.285 3.205 6.034 1.00 0.00 C ATOM 375 O ASN A 27 6.405 2.367 5.841 1.00 0.00 O ATOM 376 CB ASN A 27 7.135 5.000 7.770 1.00 0.00 C ATOM 377 CG ASN A 27 7.453 6.466 7.994 1.00 0.00 C ATOM 378 OD1 ASN A 27 7.965 7.145 7.104 1.00 0.00 O ATOM 379 ND2 ASN A 27 7.150 6.961 9.189 1.00 0.00 N ATOM 0 H ASN A 27 4.851 4.587 6.535 1.00 0.00 H new ATOM 0 HA ASN A 27 7.590 5.293 5.689 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.235 4.737 8.326 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.946 4.390 8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.341 7.941 9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.726 6.361 9.897 1.00 0.00 H new ATOM 386 N LYS A 28 8.580 2.907 6.032 1.00 0.00 N ATOM 387 CA LYS A 28 9.052 1.547 5.801 1.00 0.00 C ATOM 388 C LYS A 28 8.456 0.583 6.823 1.00 0.00 C ATOM 389 O LYS A 28 8.432 0.868 8.019 1.00 0.00 O ATOM 390 CB LYS A 28 10.580 1.497 5.869 1.00 0.00 C ATOM 391 CG LYS A 28 11.159 0.133 5.535 1.00 0.00 C ATOM 392 CD LYS A 28 12.505 -0.080 6.206 1.00 0.00 C ATOM 393 CE LYS A 28 13.391 -1.014 5.395 1.00 0.00 C ATOM 394 NZ LYS A 28 14.782 -1.058 5.924 1.00 0.00 N ATOM 0 H LYS A 28 9.322 3.590 6.188 1.00 0.00 H new ATOM 0 HA LYS A 28 8.728 1.241 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.990 2.235 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.900 1.783 6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.466 -0.646 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.271 0.039 4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.006 0.880 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.354 -0.494 7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.966 -2.018 5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.408 -0.687 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.354 -1.705 5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.197 -0.105 5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.769 -1.395 6.908 1.00 0.00 H new ATOM 408 N GLY A 29 7.975 -0.560 6.342 1.00 0.00 N ATOM 409 CA GLY A 29 7.387 -1.548 7.226 1.00 0.00 C ATOM 410 C GLY A 29 5.885 -1.392 7.353 1.00 0.00 C ATOM 411 O GLY A 29 5.146 -2.377 7.318 1.00 0.00 O ATOM 0 H GLY A 29 7.983 -0.819 5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.615 -2.546 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.842 -1.465 8.213 1.00 0.00 H new ATOM 415 N ASP A 30 5.431 -0.152 7.502 1.00 0.00 N ATOM 416 CA ASP A 30 4.006 0.129 7.635 1.00 0.00 C ATOM 417 C ASP A 30 3.196 -0.677 6.624 1.00 0.00 C ATOM 418 O ASP A 30 3.452 -0.621 5.422 1.00 0.00 O ATOM 419 CB ASP A 30 3.740 1.623 7.445 1.00 0.00 C ATOM 420 CG ASP A 30 4.010 2.424 8.704 1.00 0.00 C ATOM 421 OD1 ASP A 30 3.900 1.850 9.808 1.00 0.00 O ATOM 422 OD2 ASP A 30 4.333 3.624 8.585 1.00 0.00 O ATOM 0 H ASP A 30 6.029 0.674 7.534 1.00 0.00 H new ATOM 0 HA ASP A 30 3.695 -0.163 8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.366 2.001 6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.704 1.769 7.140 1.00 0.00 H new ATOM 427 N VAL A 31 2.218 -1.427 7.121 1.00 0.00 N ATOM 428 CA VAL A 31 1.370 -2.245 6.262 1.00 0.00 C ATOM 429 C VAL A 31 0.062 -1.530 5.939 1.00 0.00 C ATOM 430 O VAL A 31 -0.674 -1.125 6.839 1.00 0.00 O ATOM 431 CB VAL A 31 1.052 -3.602 6.916 1.00 0.00 C ATOM 432 CG1 VAL A 31 0.212 -4.461 5.983 1.00 0.00 C ATOM 433 CG2 VAL A 31 2.335 -4.320 7.304 1.00 0.00 C ATOM 0 H VAL A 31 1.993 -1.485 8.114 1.00 0.00 H new ATOM 0 HA VAL A 31 1.925 -2.416 5.339 1.00 0.00 H new ATOM 0 HB VAL A 31 0.475 -3.422 7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.003 -5.416 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.724 -3.948 5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.760 -4.635 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.091 -5.277 7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.941 -4.490 6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.894 -3.709 8.012 1.00 0.00 H new ATOM 443 N ILE A 32 -0.220 -1.379 4.650 1.00 0.00 N ATOM 444 CA ILE A 32 -1.440 -0.714 4.208 1.00 0.00 C ATOM 445 C ILE A 32 -2.484 -1.728 3.752 1.00 0.00 C ATOM 446 O ILE A 32 -2.146 -2.797 3.242 1.00 0.00 O ATOM 447 CB ILE A 32 -1.159 0.270 3.057 1.00 0.00 C ATOM 448 CG1 ILE A 32 -0.103 1.294 3.478 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.442 0.969 2.633 1.00 0.00 C ATOM 450 CD1 ILE A 32 0.741 1.800 2.329 1.00 0.00 C ATOM 0 H ILE A 32 0.379 -1.708 3.893 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.825 -0.159 5.063 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.775 -0.291 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.599 2.140 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.549 0.844 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.227 1.661 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.167 0.227 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.853 1.520 3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.468 2.522 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.265 0.964 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.099 2.280 1.590 1.00 0.00 H new ATOM 462 N LEU A 33 -3.754 -1.384 3.938 1.00 0.00 N ATOM 463 CA LEU A 33 -4.849 -2.263 3.544 1.00 0.00 C ATOM 464 C LEU A 33 -5.351 -1.915 2.146 1.00 0.00 C ATOM 465 O LEU A 33 -5.759 -0.783 1.886 1.00 0.00 O ATOM 466 CB LEU A 33 -5.997 -2.163 4.550 1.00 0.00 C ATOM 467 CG LEU A 33 -5.748 -2.799 5.918 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.124 -1.790 6.870 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.044 -3.348 6.495 1.00 0.00 C ATOM 0 H LEU A 33 -4.050 -0.503 4.359 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.474 -3.286 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.232 -1.109 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.880 -2.628 4.111 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.051 -3.627 5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.954 -2.260 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.174 -1.445 6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.796 -0.941 6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.847 -3.797 7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.764 -2.538 6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.450 -4.104 5.823 1.00 0.00 H new ATOM 481 N LEU A 34 -5.320 -2.896 1.251 1.00 0.00 N ATOM 482 CA LEU A 34 -5.775 -2.694 -0.121 1.00 0.00 C ATOM 483 C LEU A 34 -7.284 -2.477 -0.168 1.00 0.00 C ATOM 484 O LEU A 34 -8.053 -3.273 0.370 1.00 0.00 O ATOM 485 CB LEU A 34 -5.394 -3.896 -0.987 1.00 0.00 C ATOM 486 CG LEU A 34 -3.908 -4.039 -1.322 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.649 -5.347 -2.052 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.434 -2.857 -2.156 1.00 0.00 C ATOM 0 H LEU A 34 -4.985 -3.839 1.450 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.286 -1.802 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.720 -4.803 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.952 -3.837 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.344 -4.050 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.587 -5.431 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.951 -6.182 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.223 -5.367 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.375 -2.975 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.004 -2.815 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.583 -1.934 -1.596 1.00 0.00 H new ATOM 500 N ARG A 35 -7.700 -1.395 -0.818 1.00 0.00 N ATOM 501 CA ARG A 35 -9.117 -1.073 -0.937 1.00 0.00 C ATOM 502 C ARG A 35 -9.577 -1.171 -2.388 1.00 0.00 C ATOM 503 O ARG A 35 -10.563 -1.843 -2.694 1.00 0.00 O ATOM 504 CB ARG A 35 -9.390 0.332 -0.398 1.00 0.00 C ATOM 505 CG ARG A 35 -10.862 0.710 -0.399 1.00 0.00 C ATOM 506 CD ARG A 35 -11.642 -0.085 0.637 1.00 0.00 C ATOM 507 NE ARG A 35 -12.839 0.623 1.082 1.00 0.00 N ATOM 508 CZ ARG A 35 -12.817 1.632 1.946 1.00 0.00 C ATOM 509 NH1 ARG A 35 -11.666 2.049 2.454 1.00 0.00 N ATOM 510 NH2 ARG A 35 -13.949 2.225 2.303 1.00 0.00 N ATOM 0 H ARG A 35 -7.076 -0.727 -1.270 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.679 -1.797 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.006 0.402 0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.838 1.056 -0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.965 1.776 -0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.284 0.533 -1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.927 -1.049 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.001 -0.289 1.495 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.741 0.327 0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.794 1.595 2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.652 2.824 3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.836 1.906 1.914 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.932 3.000 2.966 1.00 0.00 H new ATOM 524 N ARG A 36 -8.857 -0.497 -3.279 1.00 0.00 N ATOM 525 CA ARG A 36 -9.192 -0.507 -4.698 1.00 0.00 C ATOM 526 C ARG A 36 -7.937 -0.669 -5.551 1.00 0.00 C ATOM 527 O ARG A 36 -7.125 0.249 -5.657 1.00 0.00 O ATOM 528 CB ARG A 36 -9.919 0.783 -5.081 1.00 0.00 C ATOM 529 CG ARG A 36 -10.456 0.781 -6.502 1.00 0.00 C ATOM 530 CD ARG A 36 -10.779 2.188 -6.979 1.00 0.00 C ATOM 531 NE ARG A 36 -11.993 2.711 -6.357 1.00 0.00 N ATOM 532 CZ ARG A 36 -12.264 4.007 -6.251 1.00 0.00 C ATOM 533 NH1 ARG A 36 -11.413 4.907 -6.723 1.00 0.00 N ATOM 534 NH2 ARG A 36 -13.390 4.406 -5.672 1.00 0.00 N ATOM 0 H ARG A 36 -8.038 0.063 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.850 -1.356 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.746 0.943 -4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.236 1.624 -4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.721 0.330 -7.169 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.353 0.164 -6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.942 2.849 -6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.899 2.185 -8.062 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.669 2.045 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.547 4.605 -7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.624 5.901 -6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.048 3.717 -5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.597 5.402 -5.591 1.00 0.00 H new ATOM 548 N GLN A 37 -7.787 -1.843 -6.157 1.00 0.00 N ATOM 549 CA GLN A 37 -6.631 -2.125 -6.999 1.00 0.00 C ATOM 550 C GLN A 37 -6.844 -1.590 -8.412 1.00 0.00 C ATOM 551 O GLN A 37 -7.445 -2.256 -9.255 1.00 0.00 O ATOM 552 CB GLN A 37 -6.363 -3.630 -7.047 1.00 0.00 C ATOM 553 CG GLN A 37 -5.214 -4.015 -7.964 1.00 0.00 C ATOM 554 CD GLN A 37 -5.031 -5.516 -8.073 1.00 0.00 C ATOM 555 OE1 GLN A 37 -5.519 -6.275 -7.235 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.326 -5.953 -9.110 1.00 0.00 N ATOM 0 H GLN A 37 -8.451 -2.613 -6.080 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.766 -1.623 -6.565 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.147 -3.984 -6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.267 -4.141 -7.377 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.392 -3.602 -8.957 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.292 -3.567 -7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.940 -5.288 -9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.171 -6.953 -9.236 1.00 0.00 H new ATOM 565 N LEU A 38 -6.348 -0.383 -8.663 1.00 0.00 N ATOM 566 CA LEU A 38 -6.484 0.242 -9.974 1.00 0.00 C ATOM 567 C LEU A 38 -5.836 -0.615 -11.056 1.00 0.00 C ATOM 568 O LEU A 38 -6.421 -0.844 -12.114 1.00 0.00 O ATOM 569 CB LEU A 38 -5.851 1.635 -9.964 1.00 0.00 C ATOM 570 CG LEU A 38 -6.369 2.600 -8.897 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.305 3.629 -8.547 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.642 3.286 -9.370 1.00 0.00 C ATOM 0 H LEU A 38 -5.848 0.182 -7.976 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.547 0.333 -10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.775 1.522 -9.832 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.006 2.090 -10.942 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.602 2.028 -7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.691 4.307 -7.786 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.420 3.121 -8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.041 4.197 -9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.996 3.969 -8.598 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.436 3.846 -10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.407 2.536 -9.569 1.00 0.00 H new ATOM 584 N ASP A 39 -4.625 -1.089 -10.782 1.00 0.00 N ATOM 585 CA ASP A 39 -3.899 -1.925 -11.731 1.00 0.00 C ATOM 586 C ASP A 39 -2.759 -2.667 -11.040 1.00 0.00 C ATOM 587 O ASP A 39 -2.606 -2.591 -9.822 1.00 0.00 O ATOM 588 CB ASP A 39 -3.349 -1.073 -12.876 1.00 0.00 C ATOM 589 CG ASP A 39 -3.129 -1.878 -14.142 1.00 0.00 C ATOM 590 OD1 ASP A 39 -3.795 -2.922 -14.305 1.00 0.00 O ATOM 591 OD2 ASP A 39 -2.292 -1.463 -14.971 1.00 0.00 O ATOM 0 H ASP A 39 -4.126 -0.909 -9.911 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.594 -2.660 -12.136 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.042 -0.257 -13.083 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.406 -0.620 -12.568 1.00 0.00 H new ATOM 596 N GLU A 40 -1.964 -3.385 -11.827 1.00 0.00 N ATOM 597 CA GLU A 40 -0.840 -4.143 -11.289 1.00 0.00 C ATOM 598 C GLU A 40 0.400 -3.262 -11.167 1.00 0.00 C ATOM 599 O GLU A 40 1.528 -3.744 -11.266 1.00 0.00 O ATOM 600 CB GLU A 40 -0.536 -5.349 -12.180 1.00 0.00 C ATOM 601 CG GLU A 40 -1.706 -6.309 -12.325 1.00 0.00 C ATOM 602 CD GLU A 40 -1.885 -7.197 -11.109 1.00 0.00 C ATOM 603 OE1 GLU A 40 -1.725 -6.694 -9.977 1.00 0.00 O ATOM 604 OE2 GLU A 40 -2.186 -8.396 -11.290 1.00 0.00 O ATOM 0 H GLU A 40 -2.077 -3.458 -12.838 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.115 -4.495 -10.295 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.243 -4.995 -13.168 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.317 -5.889 -11.768 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.620 -5.739 -12.492 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.553 -6.932 -13.206 1.00 0.00 H new ATOM 611 N ASN A 41 0.182 -1.969 -10.951 1.00 0.00 N ATOM 612 CA ASN A 41 1.281 -1.020 -10.816 1.00 0.00 C ATOM 613 C ASN A 41 1.083 -0.129 -9.594 1.00 0.00 C ATOM 614 O ASN A 41 2.044 0.235 -8.916 1.00 0.00 O ATOM 615 CB ASN A 41 1.398 -0.160 -12.076 1.00 0.00 C ATOM 616 CG ASN A 41 1.616 -0.992 -13.325 1.00 0.00 C ATOM 617 OD1 ASN A 41 2.724 -1.053 -13.858 1.00 0.00 O ATOM 618 ND2 ASN A 41 0.556 -1.636 -13.799 1.00 0.00 N ATOM 0 H ASN A 41 -0.746 -1.554 -10.866 1.00 0.00 H new ATOM 0 HA ASN A 41 2.203 -1.586 -10.685 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.492 0.435 -12.192 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.226 0.540 -11.960 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.641 -2.210 -14.638 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.343 -1.557 -13.324 1.00 0.00 H new ATOM 625 N TRP A 42 -0.169 0.220 -9.320 1.00 0.00 N ATOM 626 CA TRP A 42 -0.493 1.069 -8.179 1.00 0.00 C ATOM 627 C TRP A 42 -1.522 0.398 -7.276 1.00 0.00 C ATOM 628 O TRP A 42 -2.229 -0.518 -7.699 1.00 0.00 O ATOM 629 CB TRP A 42 -1.022 2.422 -8.658 1.00 0.00 C ATOM 630 CG TRP A 42 0.016 3.254 -9.348 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.586 3.011 -10.565 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.608 4.463 -8.859 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.497 3.996 -10.863 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.529 4.899 -9.833 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.449 5.220 -7.696 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.286 6.057 -9.675 1.00 0.00 C ATOM 637 CZ3 TRP A 42 1.202 6.369 -7.541 1.00 0.00 C ATOM 638 CH2 TRP A 42 2.110 6.779 -8.526 1.00 0.00 C ATOM 0 H TRP A 42 -0.976 -0.071 -9.872 1.00 0.00 H new ATOM 0 HA TRP A 42 0.420 1.226 -7.604 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.857 2.257 -9.339 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.412 2.975 -7.803 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.355 2.169 -11.200 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.058 4.047 -11.713 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.250 4.913 -6.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.987 6.374 -10.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.088 6.961 -6.645 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.682 7.683 -8.376 1.00 0.00 H new ATOM 649 N TYR A 43 -1.601 0.858 -6.033 1.00 0.00 N ATOM 650 CA TYR A 43 -2.543 0.300 -5.070 1.00 0.00 C ATOM 651 C TYR A 43 -3.181 1.402 -4.230 1.00 0.00 C ATOM 652 O TYR A 43 -2.485 2.204 -3.608 1.00 0.00 O ATOM 653 CB TYR A 43 -1.838 -0.707 -4.159 1.00 0.00 C ATOM 654 CG TYR A 43 -1.382 -1.957 -4.877 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.207 -2.595 -5.795 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.125 -2.499 -4.639 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.795 -3.738 -6.452 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.296 -3.641 -5.293 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.542 -4.257 -6.198 1.00 0.00 C ATOM 660 OH TYR A 43 -0.128 -5.394 -6.852 1.00 0.00 O ATOM 0 H TYR A 43 -1.024 1.616 -5.668 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.330 -0.211 -5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.974 -0.226 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.513 -0.988 -3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.187 -2.190 -5.998 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.534 -2.019 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.450 -4.223 -7.161 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.276 -4.049 -5.096 1.00 0.00 H new ATOM 0 HH TYR A 43 0.778 -5.627 -6.561 1.00 0.00 H new ATOM 670 N GLN A 44 -4.510 1.434 -4.218 1.00 0.00 N ATOM 671 CA GLN A 44 -5.242 2.438 -3.455 1.00 0.00 C ATOM 672 C GLN A 44 -5.765 1.853 -2.147 1.00 0.00 C ATOM 673 O GLN A 44 -6.629 0.977 -2.148 1.00 0.00 O ATOM 674 CB GLN A 44 -6.406 2.988 -4.281 1.00 0.00 C ATOM 675 CG GLN A 44 -7.090 4.187 -3.645 1.00 0.00 C ATOM 676 CD GLN A 44 -8.442 4.484 -4.264 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.646 4.286 -5.462 1.00 0.00 O ATOM 678 NE2 GLN A 44 -9.375 4.962 -3.448 1.00 0.00 N ATOM 0 H GLN A 44 -5.101 0.777 -4.727 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.555 3.251 -3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.039 3.271 -5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.141 2.197 -4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.215 4.005 -2.578 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.448 5.062 -3.746 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.162 5.111 -2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.304 5.180 -3.808 1.00 0.00 H new ATOM 687 N GLY A 45 -5.233 2.343 -1.031 1.00 0.00 N ATOM 688 CA GLY A 45 -5.657 1.856 0.269 1.00 0.00 C ATOM 689 C GLY A 45 -5.825 2.973 1.280 1.00 0.00 C ATOM 690 O GLY A 45 -6.058 4.123 0.909 1.00 0.00 O ATOM 0 H GLY A 45 -4.516 3.068 -1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.601 1.321 0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.925 1.140 0.642 1.00 0.00 H new ATOM 694 N GLU A 46 -5.709 2.634 2.560 1.00 0.00 N ATOM 695 CA GLU A 46 -5.852 3.618 3.626 1.00 0.00 C ATOM 696 C GLU A 46 -4.996 3.241 4.832 1.00 0.00 C ATOM 697 O GLU A 46 -5.068 2.118 5.332 1.00 0.00 O ATOM 698 CB GLU A 46 -7.318 3.738 4.046 1.00 0.00 C ATOM 699 CG GLU A 46 -7.517 4.482 5.356 1.00 0.00 C ATOM 700 CD GLU A 46 -8.920 5.040 5.502 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.532 5.383 4.469 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.404 5.136 6.649 1.00 0.00 O ATOM 0 H GLU A 46 -5.517 1.686 2.884 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.510 4.581 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.872 4.250 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.744 2.739 4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.309 3.808 6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.797 5.298 5.419 1.00 0.00 H new ATOM 709 N ILE A 47 -4.185 4.188 5.294 1.00 0.00 N ATOM 710 CA ILE A 47 -3.316 3.956 6.440 1.00 0.00 C ATOM 711 C ILE A 47 -3.443 5.081 7.462 1.00 0.00 C ATOM 712 O ILE A 47 -3.232 6.250 7.143 1.00 0.00 O ATOM 713 CB ILE A 47 -1.842 3.830 6.013 1.00 0.00 C ATOM 714 CG1 ILE A 47 -0.983 3.371 7.193 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.334 5.156 5.466 1.00 0.00 C ATOM 716 CD1 ILE A 47 0.351 2.791 6.780 1.00 0.00 C ATOM 0 H ILE A 47 -4.112 5.122 4.892 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.635 3.018 6.893 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.771 3.082 5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.812 4.217 7.858 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.534 2.623 7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.291 5.051 5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.931 5.445 4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.416 5.923 6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.906 2.487 7.667 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.188 1.924 6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.922 3.543 6.235 1.00 0.00 H new ATOM 728 N ASN A 48 -3.787 4.718 8.694 1.00 0.00 N ATOM 729 CA ASN A 48 -3.941 5.696 9.764 1.00 0.00 C ATOM 730 C ASN A 48 -4.935 6.784 9.368 1.00 0.00 C ATOM 731 O ASN A 48 -4.648 7.974 9.484 1.00 0.00 O ATOM 732 CB ASN A 48 -2.589 6.326 10.106 1.00 0.00 C ATOM 733 CG ASN A 48 -2.550 6.880 11.517 1.00 0.00 C ATOM 734 OD1 ASN A 48 -3.507 7.502 11.979 1.00 0.00 O ATOM 735 ND2 ASN A 48 -1.439 6.656 12.210 1.00 0.00 N ATOM 0 H ASN A 48 -3.964 3.754 8.975 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.326 5.178 10.642 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.803 5.579 9.990 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.375 7.127 9.398 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.355 7.004 13.165 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.670 6.135 11.787 1.00 0.00 H new ATOM 742 N GLY A 49 -6.108 6.365 8.901 1.00 0.00 N ATOM 743 CA GLY A 49 -7.127 7.315 8.496 1.00 0.00 C ATOM 744 C GLY A 49 -6.656 8.231 7.384 1.00 0.00 C ATOM 745 O GLY A 49 -7.021 9.406 7.342 1.00 0.00 O ATOM 0 H GLY A 49 -6.370 5.385 8.796 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.013 6.774 8.166 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.422 7.915 9.357 1.00 0.00 H new ATOM 749 N VAL A 50 -5.842 7.694 6.481 1.00 0.00 N ATOM 750 CA VAL A 50 -5.320 8.471 5.364 1.00 0.00 C ATOM 751 C VAL A 50 -5.516 7.735 4.043 1.00 0.00 C ATOM 752 O VAL A 50 -4.950 6.663 3.829 1.00 0.00 O ATOM 753 CB VAL A 50 -3.823 8.784 5.548 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.297 9.591 4.371 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.591 9.521 6.858 1.00 0.00 C ATOM 0 H VAL A 50 -5.530 6.723 6.502 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.879 9.407 5.341 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.274 7.843 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.238 9.802 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.428 9.021 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.847 10.529 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.528 9.734 6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.150 10.456 6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.928 8.901 7.689 1.00 0.00 H new ATOM 765 N SER A 51 -6.320 8.318 3.160 1.00 0.00 N ATOM 766 CA SER A 51 -6.593 7.716 1.861 1.00 0.00 C ATOM 767 C SER A 51 -5.675 8.297 0.789 1.00 0.00 C ATOM 768 O SER A 51 -5.538 9.513 0.666 1.00 0.00 O ATOM 769 CB SER A 51 -8.056 7.937 1.470 1.00 0.00 C ATOM 770 OG SER A 51 -8.930 7.306 2.389 1.00 0.00 O ATOM 0 H SER A 51 -6.794 9.207 3.321 1.00 0.00 H new ATOM 0 HA SER A 51 -6.402 6.646 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.269 9.005 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.231 7.545 0.468 1.00 0.00 H new ATOM 0 HG SER A 51 -8.437 6.628 2.897 1.00 0.00 H new ATOM 776 N GLY A 52 -5.049 7.416 0.015 1.00 0.00 N ATOM 777 CA GLY A 52 -4.152 7.859 -1.037 1.00 0.00 C ATOM 778 C GLY A 52 -3.716 6.725 -1.943 1.00 0.00 C ATOM 779 O GLY A 52 -4.107 5.575 -1.741 1.00 0.00 O ATOM 0 H GLY A 52 -5.147 6.404 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.647 8.626 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.272 8.321 -0.589 1.00 0.00 H new ATOM 783 N ILE A 53 -2.907 7.048 -2.946 1.00 0.00 N ATOM 784 CA ILE A 53 -2.419 6.048 -3.887 1.00 0.00 C ATOM 785 C ILE A 53 -0.910 5.868 -3.765 1.00 0.00 C ATOM 786 O ILE A 53 -0.187 6.806 -3.429 1.00 0.00 O ATOM 787 CB ILE A 53 -2.764 6.425 -5.340 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.105 7.754 -5.714 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.273 6.506 -5.522 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.000 7.977 -7.207 1.00 0.00 C ATOM 0 H ILE A 53 -2.575 7.995 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.916 5.111 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.379 5.650 -6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.676 8.571 -5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.107 7.791 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.501 6.773 -6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.720 5.539 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.680 7.264 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.523 8.938 -7.399 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.404 7.181 -7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.997 7.973 -7.647 1.00 0.00 H new ATOM 802 N PHE A 54 -0.439 4.657 -4.043 1.00 0.00 N ATOM 803 CA PHE A 54 0.985 4.353 -3.965 1.00 0.00 C ATOM 804 C PHE A 54 1.360 3.248 -4.949 1.00 0.00 C ATOM 805 O PHE A 54 0.531 2.429 -5.346 1.00 0.00 O ATOM 806 CB PHE A 54 1.362 3.935 -2.543 1.00 0.00 C ATOM 807 CG PHE A 54 0.445 2.900 -1.959 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.720 3.275 -1.307 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.745 1.551 -2.061 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.565 2.324 -0.768 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.097 0.596 -1.525 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.254 0.983 -0.878 1.00 0.00 C ATOM 0 H PHE A 54 -1.023 3.870 -4.325 1.00 0.00 H new ATOM 0 HA PHE A 54 1.538 5.254 -4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.380 3.547 -2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.358 4.816 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.970 4.322 -1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.648 1.242 -2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.468 2.629 -0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.149 -0.452 -1.612 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.914 0.238 -0.459 1.00 0.00 H new ATOM 822 N PRO A 55 2.639 3.224 -5.351 1.00 0.00 N ATOM 823 CA PRO A 55 3.154 2.225 -6.292 1.00 0.00 C ATOM 824 C PRO A 55 3.218 0.830 -5.680 1.00 0.00 C ATOM 825 O PRO A 55 3.174 0.675 -4.460 1.00 0.00 O ATOM 826 CB PRO A 55 4.562 2.733 -6.614 1.00 0.00 C ATOM 827 CG PRO A 55 4.951 3.546 -5.428 1.00 0.00 C ATOM 828 CD PRO A 55 3.681 4.170 -4.918 1.00 0.00 C ATOM 0 HA PRO A 55 2.513 2.122 -7.167 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.255 1.906 -6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.568 3.332 -7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.414 2.923 -4.663 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.679 4.310 -5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.696 4.283 -3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.523 5.163 -5.340 1.00 0.00 H new ATOM 836 N ALA A 56 3.322 -0.182 -6.535 1.00 0.00 N ATOM 837 CA ALA A 56 3.395 -1.564 -6.077 1.00 0.00 C ATOM 838 C ALA A 56 4.842 -1.996 -5.864 1.00 0.00 C ATOM 839 O ALA A 56 5.123 -2.877 -5.051 1.00 0.00 O ATOM 840 CB ALA A 56 2.708 -2.487 -7.073 1.00 0.00 C ATOM 0 H ALA A 56 3.358 -0.071 -7.548 1.00 0.00 H new ATOM 0 HA ALA A 56 2.878 -1.631 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.770 -3.516 -6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.661 -2.200 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.200 -2.407 -8.042 1.00 0.00 H new ATOM 846 N SER A 57 5.756 -1.372 -6.600 1.00 0.00 N ATOM 847 CA SER A 57 7.174 -1.696 -6.495 1.00 0.00 C ATOM 848 C SER A 57 7.723 -1.291 -5.131 1.00 0.00 C ATOM 849 O SER A 57 8.492 -2.030 -4.515 1.00 0.00 O ATOM 850 CB SER A 57 7.962 -0.995 -7.603 1.00 0.00 C ATOM 851 OG SER A 57 9.345 -1.293 -7.511 1.00 0.00 O ATOM 0 H SER A 57 5.540 -0.639 -7.276 1.00 0.00 H new ATOM 0 HA SER A 57 7.285 -2.775 -6.607 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.583 -1.307 -8.576 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.813 0.083 -7.534 1.00 0.00 H new ATOM 0 HG SER A 57 9.827 -0.835 -8.231 1.00 0.00 H new ATOM 857 N SER A 58 7.324 -0.112 -4.664 1.00 0.00 N ATOM 858 CA SER A 58 7.779 0.394 -3.375 1.00 0.00 C ATOM 859 C SER A 58 7.305 -0.509 -2.239 1.00 0.00 C ATOM 860 O SER A 58 7.980 -0.648 -1.219 1.00 0.00 O ATOM 861 CB SER A 58 7.269 1.819 -3.154 1.00 0.00 C ATOM 862 OG SER A 58 5.930 1.817 -2.693 1.00 0.00 O ATOM 0 H SER A 58 6.686 0.511 -5.160 1.00 0.00 H new ATOM 0 HA SER A 58 8.869 0.402 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.905 2.328 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.335 2.380 -4.086 1.00 0.00 H new ATOM 0 HG SER A 58 5.373 1.298 -3.309 1.00 0.00 H new ATOM 868 N VAL A 59 6.140 -1.121 -2.425 1.00 0.00 N ATOM 869 CA VAL A 59 5.575 -2.011 -1.418 1.00 0.00 C ATOM 870 C VAL A 59 5.600 -3.461 -1.890 1.00 0.00 C ATOM 871 O VAL A 59 6.036 -3.753 -3.003 1.00 0.00 O ATOM 872 CB VAL A 59 4.126 -1.621 -1.073 1.00 0.00 C ATOM 873 CG1 VAL A 59 4.052 -0.160 -0.655 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.205 -1.894 -2.253 1.00 0.00 C ATOM 0 H VAL A 59 5.569 -1.017 -3.264 1.00 0.00 H new ATOM 0 HA VAL A 59 6.193 -1.911 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 59 3.794 -2.232 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.021 0.098 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.680 -0.000 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.403 0.470 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.185 -1.612 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.533 -1.311 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.236 -2.955 -2.501 1.00 0.00 H new ATOM 884 N GLU A 60 5.131 -4.364 -1.035 1.00 0.00 N ATOM 885 CA GLU A 60 5.100 -5.784 -1.366 1.00 0.00 C ATOM 886 C GLU A 60 3.794 -6.423 -0.901 1.00 0.00 C ATOM 887 O GLU A 60 3.257 -6.071 0.149 1.00 0.00 O ATOM 888 CB GLU A 60 6.289 -6.505 -0.726 1.00 0.00 C ATOM 889 CG GLU A 60 7.524 -6.544 -1.610 1.00 0.00 C ATOM 890 CD GLU A 60 8.649 -7.361 -1.005 1.00 0.00 C ATOM 891 OE1 GLU A 60 8.391 -8.510 -0.588 1.00 0.00 O ATOM 892 OE2 GLU A 60 9.788 -6.852 -0.949 1.00 0.00 O ATOM 0 H GLU A 60 4.768 -4.138 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 60 5.166 -5.880 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.540 -6.011 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.995 -7.526 -0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.258 -6.962 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.873 -5.526 -1.786 1.00 0.00 H new ATOM 899 N VAL A 61 3.288 -7.363 -1.693 1.00 0.00 N ATOM 900 CA VAL A 61 2.046 -8.052 -1.364 1.00 0.00 C ATOM 901 C VAL A 61 2.314 -9.303 -0.534 1.00 0.00 C ATOM 902 O VAL A 61 1.419 -10.121 -0.319 1.00 0.00 O ATOM 903 CB VAL A 61 1.270 -8.449 -2.634 1.00 0.00 C ATOM 904 CG1 VAL A 61 -0.192 -8.711 -2.307 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.402 -7.369 -3.697 1.00 0.00 C ATOM 0 H VAL A 61 3.719 -7.665 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 61 1.443 -7.355 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 61 1.699 -9.370 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.724 -8.990 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.263 -9.522 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.638 -7.809 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.848 -7.665 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.999 -6.431 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.453 -7.236 -3.952 1.00 0.00 H new ATOM 915 N ILE A 62 3.551 -9.444 -0.070 1.00 0.00 N ATOM 916 CA ILE A 62 3.936 -10.594 0.738 1.00 0.00 C ATOM 917 C ILE A 62 3.309 -10.526 2.126 1.00 0.00 C ATOM 918 O ILE A 62 3.017 -11.554 2.738 1.00 0.00 O ATOM 919 CB ILE A 62 5.466 -10.694 0.883 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.024 -9.419 1.518 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.111 -10.942 -0.473 1.00 0.00 C ATOM 922 CD1 ILE A 62 6.084 -9.473 3.029 1.00 0.00 C ATOM 0 H ILE A 62 4.303 -8.776 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 62 3.570 -11.480 0.219 1.00 0.00 H new ATOM 0 HB ILE A 62 5.700 -11.535 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.026 -9.237 1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.407 -8.573 1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.192 -11.010 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.732 -11.875 -0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.871 -10.119 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.489 -8.536 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.081 -9.623 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.725 -10.298 3.338 1.00 0.00 H new