USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=8 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 Set 1.1: A 14 CYS SG : rot -69:sc= 0.297 USER MOD Set 1.2: A 15 ASN : amide:sc= -0.312 K(o=-0.015,f=-2.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0958 X(o=-0.096,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.939 K(o=-0.94,f=-2.9!) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0543 (180deg=-0.251) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.544 F(o=-2.2,f=-0.54) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0105 K(o=-0.01,f=-1.1) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) 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 -168:sc= -0.407 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -6.339 -8.899 1.198 1.00 0.00 N ATOM 67 CA PRO A 8 -4.938 -8.703 0.814 1.00 0.00 C ATOM 68 C PRO A 8 -4.357 -7.412 1.381 1.00 0.00 C ATOM 69 O PRO A 8 -5.074 -6.431 1.576 1.00 0.00 O ATOM 70 CB PRO A 8 -4.995 -8.637 -0.714 1.00 0.00 C ATOM 71 CG PRO A 8 -6.377 -8.175 -1.022 1.00 0.00 C ATOM 72 CD PRO A 8 -7.255 -8.749 0.055 1.00 0.00 C ATOM 0 HA PRO A 8 -4.296 -9.496 1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.250 -7.946 -1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.795 -9.611 -1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.432 -7.086 -1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.693 -8.518 -2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.087 -8.086 0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.685 -9.705 -0.244 1.00 0.00 H new ATOM 80 N ARG A 9 -3.054 -7.421 1.645 1.00 0.00 N ATOM 81 CA ARG A 9 -2.377 -6.251 2.191 1.00 0.00 C ATOM 82 C ARG A 9 -0.966 -6.126 1.625 1.00 0.00 C ATOM 83 O ARG A 9 -0.448 -7.057 1.009 1.00 0.00 O ATOM 84 CB ARG A 9 -2.321 -6.334 3.717 1.00 0.00 C ATOM 85 CG ARG A 9 -3.665 -6.105 4.390 1.00 0.00 C ATOM 86 CD ARG A 9 -3.662 -6.607 5.825 1.00 0.00 C ATOM 87 NE ARG A 9 -4.950 -6.398 6.481 1.00 0.00 N ATOM 88 CZ ARG A 9 -5.267 -6.918 7.661 1.00 0.00 C ATOM 89 NH1 ARG A 9 -4.394 -7.674 8.312 1.00 0.00 N ATOM 90 NH2 ARG A 9 -6.460 -6.682 8.193 1.00 0.00 N ATOM 0 H ARG A 9 -2.447 -8.226 1.490 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.945 -5.366 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.942 -7.315 4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.609 -5.596 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.904 -5.042 4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.447 -6.615 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.417 -7.669 5.837 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.882 -6.094 6.387 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.644 -5.821 6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.476 -7.857 7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.640 -8.072 9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.134 -6.101 7.695 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.702 -7.082 9.099 1.00 0.00 H new ATOM 104 N ALA A 10 -0.349 -4.968 1.838 1.00 0.00 N ATOM 105 CA ALA A 10 1.003 -4.722 1.351 1.00 0.00 C ATOM 106 C ALA A 10 1.832 -3.972 2.388 1.00 0.00 C ATOM 107 O ALA A 10 1.316 -3.121 3.113 1.00 0.00 O ATOM 108 CB ALA A 10 0.959 -3.943 0.044 1.00 0.00 C ATOM 0 H ALA A 10 -0.764 -4.186 2.344 1.00 0.00 H new ATOM 0 HA ALA A 10 1.479 -5.686 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.975 -3.766 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.410 -4.517 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.460 -2.988 0.206 1.00 0.00 H new ATOM 114 N LYS A 11 3.119 -4.294 2.454 1.00 0.00 N ATOM 115 CA LYS A 11 4.021 -3.651 3.402 1.00 0.00 C ATOM 116 C LYS A 11 5.021 -2.753 2.679 1.00 0.00 C ATOM 117 O LYS A 11 5.570 -3.128 1.644 1.00 0.00 O ATOM 118 CB LYS A 11 4.767 -4.705 4.223 1.00 0.00 C ATOM 119 CG LYS A 11 5.516 -4.130 5.414 1.00 0.00 C ATOM 120 CD LYS A 11 6.720 -4.983 5.779 1.00 0.00 C ATOM 121 CE LYS A 11 6.323 -6.431 6.024 1.00 0.00 C ATOM 122 NZ LYS A 11 5.529 -6.584 7.274 1.00 0.00 N ATOM 0 H LYS A 11 3.561 -4.997 1.862 1.00 0.00 H new ATOM 0 HA LYS A 11 3.423 -3.033 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.054 -5.449 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.474 -5.224 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.843 -3.116 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.844 -4.062 6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.456 -4.937 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.196 -4.579 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.742 -6.796 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.219 -7.048 6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.278 -7.585 7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.093 -6.259 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.661 -6.015 7.206 1.00 0.00 H new ATOM 136 N ALA A 12 5.253 -1.567 3.233 1.00 0.00 N ATOM 137 CA ALA A 12 6.189 -0.619 2.642 1.00 0.00 C ATOM 138 C ALA A 12 7.626 -1.108 2.781 1.00 0.00 C ATOM 139 O ALA A 12 8.043 -1.548 3.854 1.00 0.00 O ATOM 140 CB ALA A 12 6.030 0.750 3.288 1.00 0.00 C ATOM 0 H ALA A 12 4.806 -1.240 4.090 1.00 0.00 H new ATOM 0 HA ALA A 12 5.963 -0.536 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.735 1.449 2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.013 1.110 3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.228 0.673 4.357 1.00 0.00 H new ATOM 146 N LEU A 13 8.381 -1.029 1.690 1.00 0.00 N ATOM 147 CA LEU A 13 9.773 -1.464 1.690 1.00 0.00 C ATOM 148 C LEU A 13 10.709 -0.296 1.985 1.00 0.00 C ATOM 149 O LEU A 13 11.800 -0.484 2.524 1.00 0.00 O ATOM 150 CB LEU A 13 10.132 -2.091 0.342 1.00 0.00 C ATOM 151 CG LEU A 13 9.195 -3.193 -0.156 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.439 -3.475 -1.631 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.376 -4.459 0.668 1.00 0.00 C ATOM 0 H LEU A 13 8.052 -0.668 0.795 1.00 0.00 H new ATOM 0 HA LEU A 13 9.894 -2.210 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.161 -1.300 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.139 -2.502 0.412 1.00 0.00 H new ATOM 0 HG LEU A 13 8.167 -2.850 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.764 -4.261 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.258 -2.569 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.471 -3.797 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.702 -5.232 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.406 -4.805 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.150 -4.248 1.713 1.00 0.00 H new ATOM 165 N CYS A 14 10.274 0.908 1.631 1.00 0.00 N ATOM 166 CA CYS A 14 11.072 2.107 1.860 1.00 0.00 C ATOM 167 C CYS A 14 10.203 3.248 2.379 1.00 0.00 C ATOM 168 O CYS A 14 8.976 3.173 2.341 1.00 0.00 O ATOM 169 CB CYS A 14 11.774 2.531 0.569 1.00 0.00 C ATOM 170 SG CYS A 14 13.320 3.431 0.830 1.00 0.00 S ATOM 0 H CYS A 14 9.373 1.080 1.184 1.00 0.00 H new ATOM 0 HA CYS A 14 11.823 1.875 2.615 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.980 1.643 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.096 3.156 -0.012 1.00 0.00 H new ATOM 0 HG CYS A 14 13.062 4.597 1.344 1.00 0.00 H new ATOM 176 N ASN A 15 10.849 4.302 2.866 1.00 0.00 N ATOM 177 CA ASN A 15 10.135 5.458 3.395 1.00 0.00 C ATOM 178 C ASN A 15 9.402 6.201 2.283 1.00 0.00 C ATOM 179 O ASN A 15 10.022 6.715 1.351 1.00 0.00 O ATOM 180 CB ASN A 15 11.108 6.405 4.101 1.00 0.00 C ATOM 181 CG ASN A 15 12.063 7.078 3.135 1.00 0.00 C ATOM 182 OD1 ASN A 15 12.772 6.412 2.381 1.00 0.00 O ATOM 183 ND2 ASN A 15 12.087 8.406 3.154 1.00 0.00 N ATOM 0 H ASN A 15 11.865 4.380 2.905 1.00 0.00 H new ATOM 0 HA ASN A 15 9.399 5.100 4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.544 7.166 4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.679 5.847 4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.711 8.914 2.527 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.482 8.918 3.796 1.00 0.00 H new ATOM 190 N TYR A 16 8.079 6.255 2.387 1.00 0.00 N ATOM 191 CA TYR A 16 7.260 6.933 1.389 1.00 0.00 C ATOM 192 C TYR A 16 6.421 8.035 2.030 1.00 0.00 C ATOM 193 O TYR A 16 5.545 8.616 1.389 1.00 0.00 O ATOM 194 CB TYR A 16 6.349 5.931 0.679 1.00 0.00 C ATOM 195 CG TYR A 16 6.030 6.309 -0.750 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.995 6.221 -1.744 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.762 6.752 -1.104 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.708 6.566 -3.051 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.465 7.098 -2.409 1.00 0.00 C ATOM 200 CZ TYR A 16 5.442 7.004 -3.378 1.00 0.00 C ATOM 201 OH TYR A 16 5.151 7.347 -4.679 1.00 0.00 O ATOM 0 H TYR A 16 7.550 5.837 3.153 1.00 0.00 H new ATOM 0 HA TYR A 16 7.927 7.388 0.657 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.824 4.950 0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.418 5.840 1.238 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.987 5.877 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.995 6.827 -0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.471 6.493 -3.812 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.474 7.440 -2.668 1.00 0.00 H new ATOM 0 HH TYR A 16 4.216 7.634 -4.740 1.00 0.00 H new ATOM 211 N ARG A 17 6.697 8.316 3.299 1.00 0.00 N ATOM 212 CA ARG A 17 5.968 9.347 4.029 1.00 0.00 C ATOM 213 C ARG A 17 6.530 10.732 3.720 1.00 0.00 C ATOM 214 O ARG A 17 6.503 11.626 4.564 1.00 0.00 O ATOM 215 CB ARG A 17 6.036 9.082 5.534 1.00 0.00 C ATOM 216 CG ARG A 17 4.802 9.546 6.290 1.00 0.00 C ATOM 217 CD ARG A 17 4.759 11.061 6.411 1.00 0.00 C ATOM 218 NE ARG A 17 3.854 11.500 7.469 1.00 0.00 N ATOM 219 CZ ARG A 17 3.744 12.764 7.864 1.00 0.00 C ATOM 220 NH1 ARG A 17 4.478 13.708 7.291 1.00 0.00 N ATOM 221 NH2 ARG A 17 2.897 13.086 8.834 1.00 0.00 N ATOM 0 H ARG A 17 7.420 7.845 3.843 1.00 0.00 H new ATOM 0 HA ARG A 17 4.927 9.316 3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.173 8.014 5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.913 9.584 5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.907 9.195 5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.794 9.100 7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.762 11.437 6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.442 11.492 5.461 1.00 0.00 H new ATOM 0 HE ARG A 17 3.275 10.798 7.930 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.129 13.465 6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.391 14.677 7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.330 12.363 9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.813 14.056 9.137 1.00 0.00 H new ATOM 235 N GLY A 18 7.040 10.900 2.503 1.00 0.00 N ATOM 236 CA GLY A 18 7.601 12.178 2.105 1.00 0.00 C ATOM 237 C GLY A 18 6.548 13.139 1.590 1.00 0.00 C ATOM 238 O GLY A 18 5.431 13.182 2.105 1.00 0.00 O ATOM 0 H GLY A 18 7.074 10.175 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.113 12.627 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.351 12.017 1.331 1.00 0.00 H new ATOM 242 N LYS A 19 6.905 13.915 0.572 1.00 0.00 N ATOM 243 CA LYS A 19 5.983 14.881 -0.013 1.00 0.00 C ATOM 244 C LYS A 19 5.710 14.554 -1.478 1.00 0.00 C ATOM 245 O LYS A 19 6.577 14.723 -2.334 1.00 0.00 O ATOM 246 CB LYS A 19 6.552 16.297 0.107 1.00 0.00 C ATOM 247 CG LYS A 19 8.044 16.378 -0.166 1.00 0.00 C ATOM 248 CD LYS A 19 8.856 16.113 1.091 1.00 0.00 C ATOM 249 CE LYS A 19 10.255 15.619 0.757 1.00 0.00 C ATOM 250 NZ LYS A 19 11.129 16.719 0.262 1.00 0.00 N ATOM 0 H LYS A 19 7.826 13.894 0.135 1.00 0.00 H new ATOM 0 HA LYS A 19 5.042 14.826 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.028 16.951 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.353 16.676 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.314 15.653 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.290 17.365 -0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.923 17.027 1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.345 15.373 1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.703 15.170 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.193 14.836 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.073 16.341 0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.715 17.131 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.209 17.454 0.993 1.00 0.00 H new ATOM 264 N ASN A 20 4.498 14.087 -1.759 1.00 0.00 N ATOM 265 CA ASN A 20 4.110 13.737 -3.121 1.00 0.00 C ATOM 266 C ASN A 20 2.740 14.316 -3.462 1.00 0.00 C ATOM 267 O ASN A 20 1.872 14.468 -2.603 1.00 0.00 O ATOM 268 CB ASN A 20 4.092 12.217 -3.294 1.00 0.00 C ATOM 269 CG ASN A 20 5.459 11.658 -3.636 1.00 0.00 C ATOM 270 OD1 ASN A 20 5.709 11.249 -4.770 1.00 0.00 O ATOM 271 ND2 ASN A 20 6.353 11.636 -2.653 1.00 0.00 N ATOM 0 H ASN A 20 3.768 13.942 -1.062 1.00 0.00 H new ATOM 0 HA ASN A 20 4.845 14.164 -3.803 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.733 11.754 -2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.387 11.952 -4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.290 11.270 -2.824 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.103 11.985 -1.728 1.00 0.00 H new ATOM 278 N PRO A 21 2.541 14.645 -4.746 1.00 0.00 N ATOM 279 CA PRO A 21 1.278 15.211 -5.231 1.00 0.00 C ATOM 280 C PRO A 21 0.143 14.194 -5.214 1.00 0.00 C ATOM 281 O PRO A 21 0.233 13.138 -5.840 1.00 0.00 O ATOM 282 CB PRO A 21 1.604 15.625 -6.669 1.00 0.00 C ATOM 283 CG PRO A 21 2.730 14.737 -7.073 1.00 0.00 C ATOM 284 CD PRO A 21 3.532 14.491 -5.825 1.00 0.00 C ATOM 0 HA PRO A 21 0.932 16.033 -4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.742 15.494 -7.324 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.889 16.676 -6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.358 13.801 -7.489 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.341 15.208 -7.843 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.977 13.496 -5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.349 15.206 -5.725 1.00 0.00 H new ATOM 292 N GLY A 22 -0.927 14.519 -4.494 1.00 0.00 N ATOM 293 CA GLY A 22 -2.065 13.622 -4.409 1.00 0.00 C ATOM 294 C GLY A 22 -1.651 12.172 -4.261 1.00 0.00 C ATOM 295 O GLY A 22 -2.174 11.296 -4.950 1.00 0.00 O ATOM 0 H GLY A 22 -1.026 15.387 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.686 13.908 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.678 13.732 -5.304 1.00 0.00 H new ATOM 299 N ASP A 23 -0.707 11.916 -3.362 1.00 0.00 N ATOM 300 CA ASP A 23 -0.222 10.562 -3.126 1.00 0.00 C ATOM 301 C ASP A 23 -0.440 10.151 -1.673 1.00 0.00 C ATOM 302 O ASP A 23 -0.950 10.930 -0.867 1.00 0.00 O ATOM 303 CB ASP A 23 1.263 10.460 -3.480 1.00 0.00 C ATOM 304 CG ASP A 23 1.496 10.353 -4.974 1.00 0.00 C ATOM 305 OD1 ASP A 23 1.322 9.245 -5.525 1.00 0.00 O ATOM 306 OD2 ASP A 23 1.852 11.377 -5.594 1.00 0.00 O ATOM 0 H ASP A 23 -0.262 12.629 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.788 9.884 -3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.786 11.336 -3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.693 9.589 -2.985 1.00 0.00 H new ATOM 311 N LEU A 24 -0.052 8.924 -1.346 1.00 0.00 N ATOM 312 CA LEU A 24 -0.207 8.409 0.010 1.00 0.00 C ATOM 313 C LEU A 24 1.138 8.356 0.729 1.00 0.00 C ATOM 314 O LEU A 24 2.080 7.716 0.260 1.00 0.00 O ATOM 315 CB LEU A 24 -0.837 7.015 -0.021 1.00 0.00 C ATOM 316 CG LEU A 24 -1.660 6.623 1.206 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.696 5.571 0.840 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.752 6.116 2.318 1.00 0.00 C ATOM 0 H LEU A 24 0.372 8.267 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.864 9.086 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.478 6.947 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.041 6.281 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.183 7.509 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.272 5.304 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.366 5.970 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.193 4.684 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.355 5.842 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.201 5.243 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.049 6.900 2.600 1.00 0.00 H new ATOM 330 N LYS A 25 1.219 9.030 1.871 1.00 0.00 N ATOM 331 CA LYS A 25 2.447 9.058 2.657 1.00 0.00 C ATOM 332 C LYS A 25 2.475 7.910 3.662 1.00 0.00 C ATOM 333 O LYS A 25 1.575 7.775 4.490 1.00 0.00 O ATOM 334 CB LYS A 25 2.576 10.395 3.391 1.00 0.00 C ATOM 335 CG LYS A 25 3.065 11.529 2.506 1.00 0.00 C ATOM 336 CD LYS A 25 2.990 12.867 3.223 1.00 0.00 C ATOM 337 CE LYS A 25 2.839 14.018 2.240 1.00 0.00 C ATOM 338 NZ LYS A 25 1.428 14.186 1.795 1.00 0.00 N ATOM 0 H LYS A 25 0.449 9.564 2.273 1.00 0.00 H new ATOM 0 HA LYS A 25 3.289 8.942 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.607 10.665 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.264 10.276 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.093 11.336 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.464 11.568 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.147 12.864 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.891 13.012 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.185 14.941 2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.475 13.840 1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.367 14.980 1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.105 13.315 1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.825 14.381 2.620 1.00 0.00 H new ATOM 352 N PHE A 26 3.515 7.087 3.583 1.00 0.00 N ATOM 353 CA PHE A 26 3.661 5.951 4.486 1.00 0.00 C ATOM 354 C PHE A 26 5.127 5.726 4.844 1.00 0.00 C ATOM 355 O PHE A 26 6.026 6.103 4.093 1.00 0.00 O ATOM 356 CB PHE A 26 3.081 4.688 3.848 1.00 0.00 C ATOM 357 CG PHE A 26 3.729 4.323 2.543 1.00 0.00 C ATOM 358 CD1 PHE A 26 4.852 3.513 2.515 1.00 0.00 C ATOM 359 CD2 PHE A 26 3.215 4.791 1.345 1.00 0.00 C ATOM 360 CE1 PHE A 26 5.451 3.175 1.316 1.00 0.00 C ATOM 361 CE2 PHE A 26 3.809 4.456 0.142 1.00 0.00 C ATOM 362 CZ PHE A 26 4.929 3.648 0.128 1.00 0.00 C ATOM 0 H PHE A 26 4.269 7.185 2.903 1.00 0.00 H new ATOM 0 HA PHE A 26 3.112 6.173 5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.190 3.856 4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.012 4.830 3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.265 3.141 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.340 5.425 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.326 2.542 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.398 4.826 -0.786 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.396 3.387 -0.810 1.00 0.00 H new ATOM 372 N ASN A 27 5.360 5.109 5.998 1.00 0.00 N ATOM 373 CA ASN A 27 6.717 4.835 6.458 1.00 0.00 C ATOM 374 C ASN A 27 7.101 3.384 6.184 1.00 0.00 C ATOM 375 O ASN A 27 6.250 2.494 6.186 1.00 0.00 O ATOM 376 CB ASN A 27 6.841 5.133 7.953 1.00 0.00 C ATOM 377 CG ASN A 27 6.278 6.493 8.320 1.00 0.00 C ATOM 378 OD1 ASN A 27 6.772 7.525 7.865 1.00 0.00 O ATOM 379 ND2 ASN A 27 5.240 6.499 9.148 1.00 0.00 N ATOM 0 H ASN A 27 4.627 4.789 6.631 1.00 0.00 H new ATOM 0 HA ASN A 27 7.399 5.483 5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.319 4.362 8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.890 5.087 8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.819 7.384 9.432 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.864 5.619 9.500 1.00 0.00 H new ATOM 386 N LYS A 28 8.388 3.152 5.949 1.00 0.00 N ATOM 387 CA LYS A 28 8.887 1.810 5.675 1.00 0.00 C ATOM 388 C LYS A 28 8.431 0.830 6.752 1.00 0.00 C ATOM 389 O LYS A 28 8.634 1.062 7.942 1.00 0.00 O ATOM 390 CB LYS A 28 10.415 1.818 5.592 1.00 0.00 C ATOM 391 CG LYS A 28 11.022 0.437 5.417 1.00 0.00 C ATOM 392 CD LYS A 28 11.324 -0.213 6.757 1.00 0.00 C ATOM 393 CE LYS A 28 11.971 -1.578 6.580 1.00 0.00 C ATOM 394 NZ LYS A 28 13.277 -1.485 5.870 1.00 0.00 N ATOM 0 H LYS A 28 9.105 3.877 5.943 1.00 0.00 H new ATOM 0 HA LYS A 28 8.479 1.487 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.722 2.449 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.817 2.270 6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.336 -0.194 4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.939 0.513 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.985 0.432 7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.402 -0.318 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.121 -2.038 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.299 -2.229 6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.794 -2.381 5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.111 -1.297 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.840 -0.711 6.278 1.00 0.00 H new ATOM 408 N GLY A 29 7.815 -0.268 6.324 1.00 0.00 N ATOM 409 CA GLY A 29 7.342 -1.267 7.264 1.00 0.00 C ATOM 410 C GLY A 29 5.835 -1.241 7.429 1.00 0.00 C ATOM 411 O GLY A 29 5.193 -2.289 7.497 1.00 0.00 O ATOM 0 H GLY A 29 7.635 -0.483 5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.650 -2.256 6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.813 -1.102 8.233 1.00 0.00 H new ATOM 415 N ASP A 30 5.270 -0.040 7.496 1.00 0.00 N ATOM 416 CA ASP A 30 3.829 0.119 7.655 1.00 0.00 C ATOM 417 C ASP A 30 3.076 -0.629 6.560 1.00 0.00 C ATOM 418 O ASP A 30 3.361 -0.467 5.373 1.00 0.00 O ATOM 419 CB ASP A 30 3.453 1.601 7.629 1.00 0.00 C ATOM 420 CG ASP A 30 3.645 2.271 8.975 1.00 0.00 C ATOM 421 OD1 ASP A 30 3.175 1.713 9.989 1.00 0.00 O ATOM 422 OD2 ASP A 30 4.267 3.353 9.016 1.00 0.00 O ATOM 0 H ASP A 30 5.788 0.837 7.443 1.00 0.00 H new ATOM 0 HA ASP A 30 3.545 -0.303 8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.059 2.113 6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.413 1.703 7.321 1.00 0.00 H new ATOM 427 N VAL A 31 2.113 -1.450 6.966 1.00 0.00 N ATOM 428 CA VAL A 31 1.318 -2.224 6.020 1.00 0.00 C ATOM 429 C VAL A 31 -0.009 -1.533 5.723 1.00 0.00 C ATOM 430 O VAL A 31 -0.823 -1.318 6.622 1.00 0.00 O ATOM 431 CB VAL A 31 1.038 -3.643 6.550 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.018 -4.332 5.700 1.00 0.00 C ATOM 433 CG2 VAL A 31 2.321 -4.459 6.587 1.00 0.00 C ATOM 0 H VAL A 31 1.864 -1.596 7.944 1.00 0.00 H new ATOM 0 HA VAL A 31 1.901 -2.296 5.102 1.00 0.00 H new ATOM 0 HB VAL A 31 0.655 -3.564 7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.202 -5.333 6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.942 -3.755 5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.333 -4.402 4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.106 -5.459 6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.735 -4.532 5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.043 -3.972 7.242 1.00 0.00 H new ATOM 443 N ILE A 32 -0.220 -1.189 4.458 1.00 0.00 N ATOM 444 CA ILE A 32 -1.449 -0.525 4.042 1.00 0.00 C ATOM 445 C ILE A 32 -2.482 -1.535 3.554 1.00 0.00 C ATOM 446 O ILE A 32 -2.140 -2.527 2.909 1.00 0.00 O ATOM 447 CB ILE A 32 -1.184 0.502 2.926 1.00 0.00 C ATOM 448 CG1 ILE A 32 -0.100 1.491 3.360 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.467 1.237 2.567 1.00 0.00 C ATOM 450 CD1 ILE A 32 0.718 2.034 2.209 1.00 0.00 C ATOM 0 H ILE A 32 0.444 -1.359 3.703 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.838 -0.005 4.917 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.832 -0.028 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.568 2.323 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.566 0.999 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.263 1.960 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.212 0.521 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.846 1.758 3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.467 2.728 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.215 1.211 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.063 2.555 1.511 1.00 0.00 H new ATOM 462 N LEU A 33 -3.748 -1.275 3.864 1.00 0.00 N ATOM 463 CA LEU A 33 -4.833 -2.160 3.455 1.00 0.00 C ATOM 464 C LEU A 33 -5.309 -1.823 2.046 1.00 0.00 C ATOM 465 O LEU A 33 -5.582 -0.663 1.732 1.00 0.00 O ATOM 466 CB LEU A 33 -6.000 -2.057 4.438 1.00 0.00 C ATOM 467 CG LEU A 33 -5.867 -2.871 5.726 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.189 -2.048 6.810 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.231 -3.354 6.195 1.00 0.00 C ATOM 0 H LEU A 33 -4.048 -0.459 4.397 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.455 -3.182 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.131 -1.009 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.909 -2.371 3.926 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.247 -3.743 5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.103 -2.644 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.195 -1.753 6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.782 -1.157 7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.117 -3.931 7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.876 -2.496 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.679 -3.982 5.425 1.00 0.00 H new ATOM 481 N LEU A 34 -5.409 -2.843 1.201 1.00 0.00 N ATOM 482 CA LEU A 34 -5.855 -2.655 -0.176 1.00 0.00 C ATOM 483 C LEU A 34 -7.345 -2.332 -0.226 1.00 0.00 C ATOM 484 O LEU A 34 -8.183 -3.163 0.125 1.00 0.00 O ATOM 485 CB LEU A 34 -5.566 -3.910 -1.002 1.00 0.00 C ATOM 486 CG LEU A 34 -4.122 -4.085 -1.472 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.967 -5.384 -2.249 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.689 -2.899 -2.322 1.00 0.00 C ATOM 0 H LEU A 34 -5.188 -3.808 1.444 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.305 -1.814 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.843 -4.782 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.214 -3.901 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.478 -4.131 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.933 -5.491 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.235 -6.225 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.622 -5.368 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.658 -3.041 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.337 -2.821 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.761 -1.984 -1.734 1.00 0.00 H new ATOM 500 N ARG A 35 -7.668 -1.120 -0.667 1.00 0.00 N ATOM 501 CA ARG A 35 -9.057 -0.688 -0.764 1.00 0.00 C ATOM 502 C ARG A 35 -9.566 -0.813 -2.197 1.00 0.00 C ATOM 503 O ARG A 35 -10.664 -1.316 -2.434 1.00 0.00 O ATOM 504 CB ARG A 35 -9.197 0.759 -0.286 1.00 0.00 C ATOM 505 CG ARG A 35 -10.610 1.306 -0.409 1.00 0.00 C ATOM 506 CD ARG A 35 -11.534 0.703 0.638 1.00 0.00 C ATOM 507 NE ARG A 35 -12.676 1.567 0.922 1.00 0.00 N ATOM 508 CZ ARG A 35 -13.767 1.617 0.164 1.00 0.00 C ATOM 509 NH1 ARG A 35 -13.861 0.855 -0.917 1.00 0.00 N ATOM 510 NH2 ARG A 35 -14.765 2.428 0.488 1.00 0.00 N ATOM 0 H ARG A 35 -6.987 -0.421 -0.962 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.659 -1.335 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.882 0.821 0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.520 1.390 -0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.592 2.390 -0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.998 1.093 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.891 -0.267 0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.975 0.527 1.557 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.635 2.165 1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.096 0.229 -1.168 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.699 0.895 -1.498 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.696 3.014 1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.601 2.465 -0.095 1.00 0.00 H new ATOM 524 N ARG A 36 -8.760 -0.352 -3.148 1.00 0.00 N ATOM 525 CA ARG A 36 -9.130 -0.411 -4.557 1.00 0.00 C ATOM 526 C ARG A 36 -7.895 -0.579 -5.437 1.00 0.00 C ATOM 527 O ARG A 36 -6.964 0.224 -5.375 1.00 0.00 O ATOM 528 CB ARG A 36 -9.889 0.855 -4.961 1.00 0.00 C ATOM 529 CG ARG A 36 -10.154 0.956 -6.454 1.00 0.00 C ATOM 530 CD ARG A 36 -10.486 2.382 -6.865 1.00 0.00 C ATOM 531 NE ARG A 36 -11.367 2.424 -8.029 1.00 0.00 N ATOM 532 CZ ARG A 36 -11.848 3.550 -8.546 1.00 0.00 C ATOM 533 NH1 ARG A 36 -11.535 4.719 -8.005 1.00 0.00 N ATOM 534 NH2 ARG A 36 -12.644 3.507 -9.607 1.00 0.00 N ATOM 0 H ARG A 36 -7.847 0.066 -2.968 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.778 -1.276 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.840 0.884 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.319 1.728 -4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.278 0.612 -7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.979 0.297 -6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.962 2.898 -6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.564 2.919 -7.088 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.627 1.541 -8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.923 4.756 -7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.906 5.581 -8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.887 2.609 -10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.013 4.372 -10.003 1.00 0.00 H new ATOM 548 N GLN A 37 -7.894 -1.627 -6.254 1.00 0.00 N ATOM 549 CA GLN A 37 -6.773 -1.900 -7.145 1.00 0.00 C ATOM 550 C GLN A 37 -7.007 -1.283 -8.520 1.00 0.00 C ATOM 551 O GLN A 37 -7.697 -1.859 -9.361 1.00 0.00 O ATOM 552 CB GLN A 37 -6.557 -3.409 -7.280 1.00 0.00 C ATOM 553 CG GLN A 37 -5.394 -3.778 -8.186 1.00 0.00 C ATOM 554 CD GLN A 37 -5.227 -5.277 -8.340 1.00 0.00 C ATOM 555 OE1 GLN A 37 -5.844 -6.059 -7.617 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.390 -5.686 -9.287 1.00 0.00 N ATOM 0 H GLN A 37 -8.657 -2.301 -6.317 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.880 -1.449 -6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.385 -3.833 -6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.468 -3.865 -7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.547 -3.331 -9.168 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.475 -3.353 -7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.899 -5.003 -9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.238 -6.683 -9.438 1.00 0.00 H new ATOM 565 N LEU A 38 -6.429 -0.107 -8.741 1.00 0.00 N ATOM 566 CA LEU A 38 -6.574 0.589 -10.014 1.00 0.00 C ATOM 567 C LEU A 38 -5.946 -0.214 -11.149 1.00 0.00 C ATOM 568 O LEU A 38 -6.588 -0.474 -12.168 1.00 0.00 O ATOM 569 CB LEU A 38 -5.930 1.974 -9.937 1.00 0.00 C ATOM 570 CG LEU A 38 -6.392 2.866 -8.784 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.353 3.937 -8.488 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.738 3.500 -9.106 1.00 0.00 C ATOM 0 H LEU A 38 -5.856 0.384 -8.055 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.639 0.701 -10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.850 1.847 -9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.125 2.496 -10.874 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.508 2.246 -7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.699 4.562 -7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.411 3.463 -8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.204 4.554 -9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.051 4.131 -8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.648 4.106 -10.008 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.480 2.718 -9.267 1.00 0.00 H new ATOM 584 N ASP A 39 -4.690 -0.605 -10.965 1.00 0.00 N ATOM 585 CA ASP A 39 -3.977 -1.382 -11.972 1.00 0.00 C ATOM 586 C ASP A 39 -2.921 -2.272 -11.324 1.00 0.00 C ATOM 587 O ASP A 39 -2.760 -2.272 -10.104 1.00 0.00 O ATOM 588 CB ASP A 39 -3.320 -0.451 -12.994 1.00 0.00 C ATOM 589 CG ASP A 39 -4.329 0.185 -13.929 1.00 0.00 C ATOM 590 OD1 ASP A 39 -4.915 -0.545 -14.755 1.00 0.00 O ATOM 591 OD2 ASP A 39 -4.532 1.414 -13.836 1.00 0.00 O ATOM 0 H ASP A 39 -4.145 -0.397 -10.128 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.699 -2.019 -12.483 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.772 0.331 -12.469 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.592 -1.013 -13.578 1.00 0.00 H new ATOM 596 N GLU A 40 -2.204 -3.028 -12.150 1.00 0.00 N ATOM 597 CA GLU A 40 -1.165 -3.924 -11.655 1.00 0.00 C ATOM 598 C GLU A 40 0.151 -3.176 -11.461 1.00 0.00 C ATOM 599 O GLU A 40 1.223 -3.779 -11.446 1.00 0.00 O ATOM 600 CB GLU A 40 -0.963 -5.090 -12.625 1.00 0.00 C ATOM 601 CG GLU A 40 -0.750 -4.655 -14.065 1.00 0.00 C ATOM 602 CD GLU A 40 -2.054 -4.465 -14.816 1.00 0.00 C ATOM 603 OE1 GLU A 40 -2.607 -5.472 -15.306 1.00 0.00 O ATOM 604 OE2 GLU A 40 -2.521 -3.311 -14.913 1.00 0.00 O ATOM 0 H GLU A 40 -2.323 -3.038 -13.163 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.487 -4.315 -10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.103 -5.676 -12.301 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.832 -5.746 -12.577 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.188 -3.721 -14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.144 -5.400 -14.580 1.00 0.00 H new ATOM 611 N ASN A 41 0.059 -1.859 -11.312 1.00 0.00 N ATOM 612 CA ASN A 41 1.242 -1.027 -11.119 1.00 0.00 C ATOM 613 C ASN A 41 1.118 -0.192 -9.849 1.00 0.00 C ATOM 614 O ASN A 41 2.119 0.153 -9.221 1.00 0.00 O ATOM 615 CB ASN A 41 1.449 -0.111 -12.327 1.00 0.00 C ATOM 616 CG ASN A 41 1.542 -0.883 -13.629 1.00 0.00 C ATOM 617 OD1 ASN A 41 0.419 -1.442 -14.067 1.00 0.00 O flip ATOM 618 ND2 ASN A 41 2.610 -0.976 -14.234 1.00 0.00 N flip ATOM 0 H ASN A 41 -0.822 -1.345 -11.321 1.00 0.00 H new ATOM 0 HA ASN A 41 2.106 -1.684 -11.017 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.624 0.599 -12.387 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.360 0.470 -12.187 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.448 -0.530 -13.861 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.657 -1.499 -15.109 1.00 0.00 H new ATOM 625 N TRP A 42 -0.115 0.128 -9.476 1.00 0.00 N ATOM 626 CA TRP A 42 -0.370 0.923 -8.280 1.00 0.00 C ATOM 627 C TRP A 42 -1.417 0.255 -7.395 1.00 0.00 C ATOM 628 O TRP A 42 -2.093 -0.683 -7.818 1.00 0.00 O ATOM 629 CB TRP A 42 -0.833 2.329 -8.665 1.00 0.00 C ATOM 630 CG TRP A 42 0.253 3.167 -9.269 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.984 2.880 -10.386 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.731 4.428 -8.786 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.888 3.887 -10.627 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.753 4.848 -9.661 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.395 5.243 -7.702 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.439 6.046 -9.482 1.00 0.00 C ATOM 637 CZ3 TRP A 42 1.077 6.431 -7.526 1.00 0.00 C ATOM 638 CH2 TRP A 42 2.089 6.825 -8.412 1.00 0.00 C ATOM 0 H TRP A 42 -0.954 -0.151 -9.984 1.00 0.00 H new ATOM 0 HA TRP A 42 0.561 0.996 -7.718 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.658 2.251 -9.373 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.220 2.832 -7.779 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.869 1.993 -10.991 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.552 3.914 -11.401 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.384 4.949 -7.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.220 6.350 -10.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.826 7.068 -6.691 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.602 7.761 -8.248 1.00 0.00 H new ATOM 649 N TYR A 43 -1.544 0.742 -6.166 1.00 0.00 N ATOM 650 CA TYR A 43 -2.508 0.190 -5.221 1.00 0.00 C ATOM 651 C TYR A 43 -3.086 1.285 -4.330 1.00 0.00 C ATOM 652 O TYR A 43 -2.348 2.026 -3.682 1.00 0.00 O ATOM 653 CB TYR A 43 -1.848 -0.889 -4.360 1.00 0.00 C ATOM 654 CG TYR A 43 -1.415 -2.108 -5.143 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.314 -2.797 -5.947 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.106 -2.570 -5.079 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.923 -3.912 -6.663 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.295 -3.682 -5.793 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.617 -4.350 -6.583 1.00 0.00 C ATOM 660 OH TYR A 43 -0.223 -5.459 -7.296 1.00 0.00 O ATOM 0 H TYR A 43 -0.992 1.518 -5.801 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.323 -0.257 -5.791 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.979 -0.462 -3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.545 -1.197 -3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.336 -2.455 -6.014 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.610 -2.050 -4.460 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.635 -4.438 -7.282 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.317 -4.027 -5.733 1.00 0.00 H new ATOM 0 HH TYR A 43 0.727 -5.634 -7.131 1.00 0.00 H new ATOM 670 N GLN A 44 -4.411 1.378 -4.303 1.00 0.00 N ATOM 671 CA GLN A 44 -5.090 2.382 -3.492 1.00 0.00 C ATOM 672 C GLN A 44 -5.551 1.789 -2.165 1.00 0.00 C ATOM 673 O GLN A 44 -6.397 0.896 -2.133 1.00 0.00 O ATOM 674 CB GLN A 44 -6.287 2.958 -4.251 1.00 0.00 C ATOM 675 CG GLN A 44 -6.871 4.206 -3.609 1.00 0.00 C ATOM 676 CD GLN A 44 -7.899 4.888 -4.490 1.00 0.00 C ATOM 677 OE1 GLN A 44 -7.776 4.898 -5.715 1.00 0.00 O ATOM 678 NE2 GLN A 44 -8.922 5.464 -3.869 1.00 0.00 N ATOM 0 H GLN A 44 -5.036 0.771 -4.833 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.382 3.184 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.981 3.193 -5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.064 2.197 -4.319 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.332 3.939 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.066 4.907 -3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.985 5.432 -2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.645 5.939 -4.410 1.00 0.00 H new ATOM 687 N GLY A 45 -4.988 2.291 -1.070 1.00 0.00 N ATOM 688 CA GLY A 45 -5.354 1.798 0.245 1.00 0.00 C ATOM 689 C GLY A 45 -5.442 2.906 1.276 1.00 0.00 C ATOM 690 O GLY A 45 -5.304 4.083 0.944 1.00 0.00 O ATOM 0 H GLY A 45 -4.285 3.030 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.314 1.286 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.620 1.061 0.570 1.00 0.00 H new ATOM 694 N GLU A 46 -5.672 2.529 2.530 1.00 0.00 N ATOM 695 CA GLU A 46 -5.780 3.501 3.611 1.00 0.00 C ATOM 696 C GLU A 46 -4.772 3.199 4.716 1.00 0.00 C ATOM 697 O GLU A 46 -4.520 2.039 5.041 1.00 0.00 O ATOM 698 CB GLU A 46 -7.198 3.503 4.186 1.00 0.00 C ATOM 699 CG GLU A 46 -7.256 3.847 5.664 1.00 0.00 C ATOM 700 CD GLU A 46 -7.167 2.622 6.553 1.00 0.00 C ATOM 701 OE1 GLU A 46 -7.653 1.550 6.135 1.00 0.00 O ATOM 702 OE2 GLU A 46 -6.611 2.734 7.666 1.00 0.00 O ATOM 0 H GLU A 46 -5.787 1.558 2.822 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.561 4.487 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.805 4.219 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.644 2.520 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.440 4.527 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.185 4.376 5.874 1.00 0.00 H new ATOM 709 N ILE A 47 -4.199 4.252 5.290 1.00 0.00 N ATOM 710 CA ILE A 47 -3.220 4.100 6.359 1.00 0.00 C ATOM 711 C ILE A 47 -3.430 5.145 7.450 1.00 0.00 C ATOM 712 O ILE A 47 -3.438 6.345 7.181 1.00 0.00 O ATOM 713 CB ILE A 47 -1.780 4.217 5.823 1.00 0.00 C ATOM 714 CG1 ILE A 47 -0.777 3.796 6.899 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.502 5.638 5.359 1.00 0.00 C ATOM 716 CD1 ILE A 47 0.497 3.205 6.339 1.00 0.00 C ATOM 0 H ILE A 47 -4.396 5.219 5.033 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.364 3.105 6.780 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.670 3.549 4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.528 4.663 7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.248 3.066 7.557 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.481 5.705 4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.199 5.904 4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.626 6.325 6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.161 2.929 7.158 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.259 2.319 5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.991 3.940 5.704 1.00 0.00 H new ATOM 728 N ASN A 48 -3.599 4.678 8.683 1.00 0.00 N ATOM 729 CA ASN A 48 -3.809 5.572 9.816 1.00 0.00 C ATOM 730 C ASN A 48 -4.884 6.607 9.501 1.00 0.00 C ATOM 731 O ASN A 48 -4.720 7.793 9.782 1.00 0.00 O ATOM 732 CB ASN A 48 -2.501 6.275 10.187 1.00 0.00 C ATOM 733 CG ASN A 48 -1.655 5.456 11.142 1.00 0.00 C ATOM 734 OD1 ASN A 48 -1.651 5.698 12.349 1.00 0.00 O ATOM 735 ND2 ASN A 48 -0.933 4.480 10.605 1.00 0.00 N ATOM 0 H ASN A 48 -3.595 3.687 8.923 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.144 4.972 10.662 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.930 6.476 9.281 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.726 7.240 10.642 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.344 3.895 11.198 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.967 4.315 9.599 1.00 0.00 H new ATOM 742 N GLY A 49 -5.986 6.148 8.916 1.00 0.00 N ATOM 743 CA GLY A 49 -7.073 7.047 8.572 1.00 0.00 C ATOM 744 C GLY A 49 -6.703 8.004 7.457 1.00 0.00 C ATOM 745 O GLY A 49 -7.214 9.122 7.393 1.00 0.00 O ATOM 0 H GLY A 49 -6.146 5.170 8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.942 6.462 8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.362 7.617 9.455 1.00 0.00 H new ATOM 749 N VAL A 50 -5.810 7.567 6.575 1.00 0.00 N ATOM 750 CA VAL A 50 -5.371 8.393 5.457 1.00 0.00 C ATOM 751 C VAL A 50 -5.507 7.646 4.135 1.00 0.00 C ATOM 752 O VAL A 50 -4.785 6.683 3.877 1.00 0.00 O ATOM 753 CB VAL A 50 -3.908 8.843 5.632 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.521 9.833 4.544 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.698 9.445 7.013 1.00 0.00 C ATOM 0 H VAL A 50 -5.376 6.645 6.613 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.014 9.273 5.442 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.263 7.969 5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.484 10.140 4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.632 9.362 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.169 10.708 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.659 9.757 7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.351 10.309 7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.933 8.701 7.774 1.00 0.00 H new ATOM 765 N SER A 51 -6.437 8.097 3.300 1.00 0.00 N ATOM 766 CA SER A 51 -6.671 7.469 2.004 1.00 0.00 C ATOM 767 C SER A 51 -5.793 8.101 0.928 1.00 0.00 C ATOM 768 O SER A 51 -5.668 9.322 0.851 1.00 0.00 O ATOM 769 CB SER A 51 -8.144 7.592 1.613 1.00 0.00 C ATOM 770 OG SER A 51 -8.572 8.942 1.651 1.00 0.00 O ATOM 0 H SER A 51 -7.041 8.895 3.497 1.00 0.00 H new ATOM 0 HA SER A 51 -6.411 6.414 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.292 7.189 0.611 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.754 6.995 2.291 1.00 0.00 H new ATOM 0 HG SER A 51 -9.517 8.993 1.395 1.00 0.00 H new ATOM 776 N GLY A 52 -5.185 7.258 0.099 1.00 0.00 N ATOM 777 CA GLY A 52 -4.326 7.751 -0.962 1.00 0.00 C ATOM 778 C GLY A 52 -3.914 6.659 -1.929 1.00 0.00 C ATOM 779 O GLY A 52 -4.449 5.551 -1.888 1.00 0.00 O ATOM 0 H GLY A 52 -5.272 6.243 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.844 8.539 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.434 8.200 -0.524 1.00 0.00 H new ATOM 783 N ILE A 53 -2.964 6.972 -2.803 1.00 0.00 N ATOM 784 CA ILE A 53 -2.482 6.009 -3.786 1.00 0.00 C ATOM 785 C ILE A 53 -0.971 5.831 -3.686 1.00 0.00 C ATOM 786 O ILE A 53 -0.249 6.758 -3.319 1.00 0.00 O ATOM 787 CB ILE A 53 -2.844 6.439 -5.220 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.317 7.848 -5.501 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.350 6.380 -5.427 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.238 8.181 -6.975 1.00 0.00 C ATOM 0 H ILE A 53 -2.512 7.885 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.972 5.061 -3.566 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.374 5.749 -5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.963 8.574 -5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.326 7.951 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.590 6.687 -6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.700 5.361 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.841 7.050 -4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.856 9.194 -7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.569 7.478 -7.471 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.232 8.111 -7.418 1.00 0.00 H new ATOM 802 N PHE A 54 -0.499 4.634 -4.016 1.00 0.00 N ATOM 803 CA PHE A 54 0.927 4.333 -3.965 1.00 0.00 C ATOM 804 C PHE A 54 1.296 3.267 -4.993 1.00 0.00 C ATOM 805 O PHE A 54 0.467 2.457 -5.409 1.00 0.00 O ATOM 806 CB PHE A 54 1.321 3.864 -2.563 1.00 0.00 C ATOM 807 CG PHE A 54 0.399 2.822 -1.998 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.815 3.184 -1.436 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.744 1.481 -2.031 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.665 2.227 -0.915 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.102 0.519 -1.512 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.309 0.893 -0.954 1.00 0.00 C ATOM 0 H PHE A 54 -1.083 3.856 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 54 1.474 5.246 -4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.334 3.463 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.339 4.723 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.100 4.225 -1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.686 1.183 -2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.607 2.522 -0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.180 -0.523 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.973 0.144 -0.549 1.00 0.00 H new ATOM 822 N PRO A 55 2.569 3.267 -5.413 1.00 0.00 N ATOM 823 CA PRO A 55 3.078 2.307 -6.397 1.00 0.00 C ATOM 824 C PRO A 55 3.160 0.891 -5.837 1.00 0.00 C ATOM 825 O PRO A 55 2.895 0.664 -4.657 1.00 0.00 O ATOM 826 CB PRO A 55 4.477 2.836 -6.719 1.00 0.00 C ATOM 827 CG PRO A 55 4.878 3.608 -5.510 1.00 0.00 C ATOM 828 CD PRO A 55 3.611 4.204 -4.960 1.00 0.00 C ATOM 0 HA PRO A 55 2.426 2.231 -7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.173 2.021 -6.917 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.466 3.468 -7.607 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.356 2.961 -4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.597 4.387 -5.765 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.640 4.278 -3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.441 5.210 -5.343 1.00 0.00 H new ATOM 836 N ALA A 56 3.529 -0.058 -6.691 1.00 0.00 N ATOM 837 CA ALA A 56 3.648 -1.451 -6.280 1.00 0.00 C ATOM 838 C ALA A 56 5.102 -1.820 -6.005 1.00 0.00 C ATOM 839 O ALA A 56 5.389 -2.874 -5.436 1.00 0.00 O ATOM 840 CB ALA A 56 3.061 -2.368 -7.343 1.00 0.00 C ATOM 0 H ALA A 56 3.751 0.113 -7.672 1.00 0.00 H new ATOM 0 HA ALA A 56 3.086 -1.580 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.157 -3.405 -7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.007 -2.129 -7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.597 -2.227 -8.281 1.00 0.00 H new ATOM 846 N SER A 57 6.017 -0.946 -6.414 1.00 0.00 N ATOM 847 CA SER A 57 7.442 -1.183 -6.215 1.00 0.00 C ATOM 848 C SER A 57 7.877 -0.744 -4.821 1.00 0.00 C ATOM 849 O SER A 57 8.833 -1.278 -4.260 1.00 0.00 O ATOM 850 CB SER A 57 8.256 -0.437 -7.274 1.00 0.00 C ATOM 851 OG SER A 57 8.322 -1.176 -8.481 1.00 0.00 O ATOM 0 H SER A 57 5.797 -0.068 -6.885 1.00 0.00 H new ATOM 0 HA SER A 57 7.624 -2.253 -6.313 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.805 0.537 -7.464 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.264 -0.254 -6.900 1.00 0.00 H new ATOM 0 HG SER A 57 8.846 -0.677 -9.142 1.00 0.00 H new ATOM 857 N SER A 58 7.167 0.234 -4.267 1.00 0.00 N ATOM 858 CA SER A 58 7.481 0.749 -2.939 1.00 0.00 C ATOM 859 C SER A 58 6.891 -0.149 -1.855 1.00 0.00 C ATOM 860 O SER A 58 7.301 -0.092 -0.695 1.00 0.00 O ATOM 861 CB SER A 58 6.947 2.174 -2.782 1.00 0.00 C ATOM 862 OG SER A 58 7.476 3.029 -3.781 1.00 0.00 O ATOM 0 H SER A 58 6.371 0.685 -4.717 1.00 0.00 H new ATOM 0 HA SER A 58 8.565 0.760 -2.828 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.859 2.167 -2.844 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.208 2.557 -1.795 1.00 0.00 H new ATOM 0 HG SER A 58 7.271 3.961 -3.556 1.00 0.00 H new ATOM 868 N VAL A 59 5.927 -0.977 -2.241 1.00 0.00 N ATOM 869 CA VAL A 59 5.281 -1.889 -1.304 1.00 0.00 C ATOM 870 C VAL A 59 5.378 -3.332 -1.786 1.00 0.00 C ATOM 871 O VAL A 59 5.766 -3.592 -2.924 1.00 0.00 O ATOM 872 CB VAL A 59 3.798 -1.526 -1.100 1.00 0.00 C ATOM 873 CG1 VAL A 59 3.659 -0.082 -0.642 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.010 -1.765 -2.380 1.00 0.00 C ATOM 0 H VAL A 59 5.575 -1.036 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 59 5.806 -1.791 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 59 3.389 -2.170 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.604 0.156 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.189 0.053 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.084 0.581 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.964 -1.503 -2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.419 -1.147 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.082 -2.816 -2.661 1.00 0.00 H new ATOM 884 N GLU A 60 5.022 -4.267 -0.910 1.00 0.00 N ATOM 885 CA GLU A 60 5.069 -5.685 -1.247 1.00 0.00 C ATOM 886 C GLU A 60 3.857 -6.419 -0.683 1.00 0.00 C ATOM 887 O GLU A 60 3.489 -6.234 0.477 1.00 0.00 O ATOM 888 CB GLU A 60 6.356 -6.316 -0.711 1.00 0.00 C ATOM 889 CG GLU A 60 7.520 -6.246 -1.686 1.00 0.00 C ATOM 890 CD GLU A 60 7.201 -6.884 -3.024 1.00 0.00 C ATOM 891 OE1 GLU A 60 7.232 -8.129 -3.109 1.00 0.00 O ATOM 892 OE2 GLU A 60 6.920 -6.138 -3.985 1.00 0.00 O ATOM 0 H GLU A 60 4.698 -4.068 0.037 1.00 0.00 H new ATOM 0 HA GLU A 60 5.053 -5.775 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.638 -5.815 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.163 -7.360 -0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.796 -5.203 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.386 -6.743 -1.248 1.00 0.00 H new ATOM 899 N VAL A 61 3.238 -7.254 -1.512 1.00 0.00 N ATOM 900 CA VAL A 61 2.067 -8.017 -1.097 1.00 0.00 C ATOM 901 C VAL A 61 2.470 -9.250 -0.297 1.00 0.00 C ATOM 902 O VAL A 61 1.657 -10.146 -0.066 1.00 0.00 O ATOM 903 CB VAL A 61 1.226 -8.458 -2.310 1.00 0.00 C ATOM 904 CG1 VAL A 61 -0.206 -8.751 -1.888 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.263 -7.396 -3.398 1.00 0.00 C ATOM 0 H VAL A 61 3.529 -7.419 -2.476 1.00 0.00 H new ATOM 0 HA VAL A 61 1.467 -7.359 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 61 1.655 -9.375 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.785 -9.061 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.210 -9.549 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.650 -7.853 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.664 -7.724 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.859 -6.462 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.293 -7.240 -3.719 1.00 0.00 H new ATOM 915 N ILE A 62 3.730 -9.289 0.125 1.00 0.00 N ATOM 916 CA ILE A 62 4.240 -10.412 0.902 1.00 0.00 C ATOM 917 C ILE A 62 3.670 -10.406 2.316 1.00 0.00 C ATOM 918 O ILE A 62 3.642 -11.436 2.989 1.00 0.00 O ATOM 919 CB ILE A 62 5.778 -10.389 0.980 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.259 -9.082 1.614 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.382 -10.566 -0.405 1.00 0.00 C ATOM 922 CD1 ILE A 62 6.258 -9.107 3.126 1.00 0.00 C ATOM 0 H ILE A 62 4.416 -8.556 -0.058 1.00 0.00 H new ATOM 0 HA ILE A 62 3.924 -11.321 0.390 1.00 0.00 H new ATOM 0 HB ILE A 62 6.107 -11.218 1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.268 -8.867 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.622 -8.266 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.469 -10.547 -0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.062 -11.521 -0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.048 -9.757 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.610 -8.148 3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.246 -9.290 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.917 -9.901 3.477 1.00 0.00 H new