USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=9 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+ 161:sc= -0.0195 (180deg=-0.252) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.199 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.063) 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= -0.0713 K(o=-0.071,f=-0.71) USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= 0.973 (180deg=0.349) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc=-0.00529 (180deg=-0.122) USER MOD Single : A 37 GLN : amide:sc= -0.743 X(o=-0.74,f=-0.95) USER MOD Single : A 41 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.026) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -4.47 K(o=-4.5,f=-8.2!) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-1.3) 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 -164:sc= 0.921 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -6.254 -8.914 1.069 1.00 0.00 N ATOM 67 CA PRO A 8 -4.840 -8.722 0.736 1.00 0.00 C ATOM 68 C PRO A 8 -4.222 -7.547 1.486 1.00 0.00 C ATOM 69 O PRO A 8 -4.917 -6.600 1.856 1.00 0.00 O ATOM 70 CB PRO A 8 -4.864 -8.443 -0.769 1.00 0.00 C ATOM 71 CG PRO A 8 -6.222 -7.888 -1.029 1.00 0.00 C ATOM 72 CD PRO A 8 -7.142 -8.570 -0.055 1.00 0.00 C ATOM 0 HA PRO A 8 -4.235 -9.586 1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.086 -7.735 -1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.692 -9.353 -1.343 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.236 -6.807 -0.887 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.531 -8.079 -2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.953 -7.913 0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.602 -9.457 -0.490 1.00 0.00 H new ATOM 80 N ARG A 9 -2.913 -7.613 1.705 1.00 0.00 N ATOM 81 CA ARG A 9 -2.202 -6.554 2.412 1.00 0.00 C ATOM 82 C ARG A 9 -0.838 -6.298 1.777 1.00 0.00 C ATOM 83 O ARG A 9 -0.301 -7.151 1.071 1.00 0.00 O ATOM 84 CB ARG A 9 -2.029 -6.923 3.886 1.00 0.00 C ATOM 85 CG ARG A 9 -3.344 -7.133 4.620 1.00 0.00 C ATOM 86 CD ARG A 9 -3.116 -7.484 6.082 1.00 0.00 C ATOM 87 NE ARG A 9 -4.315 -7.272 6.888 1.00 0.00 N ATOM 88 CZ ARG A 9 -4.500 -7.816 8.086 1.00 0.00 C ATOM 89 NH1 ARG A 9 -3.570 -8.599 8.614 1.00 0.00 N ATOM 90 NH2 ARG A 9 -5.618 -7.576 8.759 1.00 0.00 N ATOM 0 H ARG A 9 -2.323 -8.388 1.403 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.794 -5.642 2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.434 -7.834 3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.466 -6.135 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.948 -6.229 4.552 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.908 -7.931 4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.806 -8.526 6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.301 -6.878 6.478 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.050 -6.674 6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.709 -8.786 8.100 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.716 -9.015 9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.336 -6.974 8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.759 -7.994 9.679 1.00 0.00 H new ATOM 104 N ALA A 10 -0.284 -5.118 2.035 1.00 0.00 N ATOM 105 CA ALA A 10 1.018 -4.750 1.490 1.00 0.00 C ATOM 106 C ALA A 10 1.926 -4.182 2.575 1.00 0.00 C ATOM 107 O ALA A 10 1.453 -3.635 3.572 1.00 0.00 O ATOM 108 CB ALA A 10 0.852 -3.747 0.359 1.00 0.00 C ATOM 0 H ALA A 10 -0.716 -4.401 2.618 1.00 0.00 H new ATOM 0 HA ALA A 10 1.487 -5.651 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.832 -3.481 -0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.247 -4.188 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.358 -2.851 0.736 1.00 0.00 H new ATOM 114 N LYS A 11 3.233 -4.316 2.376 1.00 0.00 N ATOM 115 CA LYS A 11 4.209 -3.815 3.337 1.00 0.00 C ATOM 116 C LYS A 11 5.155 -2.815 2.680 1.00 0.00 C ATOM 117 O LYS A 11 5.703 -3.076 1.610 1.00 0.00 O ATOM 118 CB LYS A 11 5.009 -4.975 3.934 1.00 0.00 C ATOM 119 CG LYS A 11 5.853 -4.579 5.133 1.00 0.00 C ATOM 120 CD LYS A 11 6.369 -5.798 5.879 1.00 0.00 C ATOM 121 CE LYS A 11 7.593 -6.391 5.198 1.00 0.00 C ATOM 122 NZ LYS A 11 8.785 -5.509 5.335 1.00 0.00 N ATOM 0 H LYS A 11 3.641 -4.768 1.557 1.00 0.00 H new ATOM 0 HA LYS A 11 3.668 -3.306 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.320 -5.766 4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.659 -5.391 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.695 -3.971 4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.260 -3.962 5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.620 -5.520 6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.583 -6.551 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.812 -7.367 5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.379 -6.551 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.648 -6.061 5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.723 -4.732 4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.818 -5.117 6.298 1.00 0.00 H new ATOM 136 N ALA A 12 5.344 -1.672 3.330 1.00 0.00 N ATOM 137 CA ALA A 12 6.228 -0.635 2.811 1.00 0.00 C ATOM 138 C ALA A 12 7.680 -1.100 2.811 1.00 0.00 C ATOM 139 O ALA A 12 8.154 -1.689 3.784 1.00 0.00 O ATOM 140 CB ALA A 12 6.080 0.641 3.627 1.00 0.00 C ATOM 0 H ALA A 12 4.897 -1.440 4.217 1.00 0.00 H new ATOM 0 HA ALA A 12 5.940 -0.430 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.746 1.407 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.049 0.991 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.339 0.440 4.667 1.00 0.00 H new ATOM 146 N LEU A 13 8.381 -0.834 1.715 1.00 0.00 N ATOM 147 CA LEU A 13 9.781 -1.226 1.588 1.00 0.00 C ATOM 148 C LEU A 13 10.703 -0.132 2.115 1.00 0.00 C ATOM 149 O LEU A 13 11.729 -0.415 2.735 1.00 0.00 O ATOM 150 CB LEU A 13 10.115 -1.532 0.127 1.00 0.00 C ATOM 151 CG LEU A 13 9.394 -2.730 -0.490 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.762 -2.877 -1.958 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.724 -4.003 0.275 1.00 0.00 C ATOM 0 H LEU A 13 8.004 -0.349 0.901 1.00 0.00 H new ATOM 0 HA LEU A 13 9.937 -2.124 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.886 -0.649 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.189 -1.700 0.048 1.00 0.00 H new ATOM 0 HG LEU A 13 8.320 -2.557 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.239 -3.735 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.473 -1.975 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.838 -3.026 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.202 -4.846 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.799 -4.181 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.408 -3.896 1.313 1.00 0.00 H new ATOM 165 N CYS A 14 10.331 1.119 1.866 1.00 0.00 N ATOM 166 CA CYS A 14 11.124 2.257 2.316 1.00 0.00 C ATOM 167 C CYS A 14 10.225 3.425 2.708 1.00 0.00 C ATOM 168 O CYS A 14 9.001 3.339 2.612 1.00 0.00 O ATOM 169 CB CYS A 14 12.097 2.693 1.220 1.00 0.00 C ATOM 170 SG CYS A 14 13.617 3.450 1.840 1.00 0.00 S ATOM 0 H CYS A 14 9.485 1.371 1.355 1.00 0.00 H new ATOM 0 HA CYS A 14 11.692 1.948 3.194 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.357 1.825 0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.593 3.401 0.563 1.00 0.00 H new ATOM 0 HG CYS A 14 14.376 3.783 0.838 1.00 0.00 H new ATOM 176 N ASN A 15 10.841 4.516 3.152 1.00 0.00 N ATOM 177 CA ASN A 15 10.096 5.701 3.562 1.00 0.00 C ATOM 178 C ASN A 15 9.437 6.372 2.360 1.00 0.00 C ATOM 179 O ASN A 15 10.117 6.920 1.492 1.00 0.00 O ATOM 180 CB ASN A 15 11.023 6.692 4.269 1.00 0.00 C ATOM 181 CG ASN A 15 11.633 6.114 5.531 1.00 0.00 C ATOM 182 OD1 ASN A 15 11.048 6.197 6.611 1.00 0.00 O ATOM 183 ND2 ASN A 15 12.816 5.525 5.399 1.00 0.00 N ATOM 0 H ASN A 15 11.854 4.604 3.237 1.00 0.00 H new ATOM 0 HA ASN A 15 9.315 5.387 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.820 6.990 3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.464 7.594 4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.277 5.118 6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.264 5.480 4.484 1.00 0.00 H new ATOM 190 N TYR A 16 8.110 6.324 2.317 1.00 0.00 N ATOM 191 CA TYR A 16 7.359 6.925 1.221 1.00 0.00 C ATOM 192 C TYR A 16 6.448 8.037 1.731 1.00 0.00 C ATOM 193 O TYR A 16 5.624 8.569 0.988 1.00 0.00 O ATOM 194 CB TYR A 16 6.530 5.861 0.500 1.00 0.00 C ATOM 195 CG TYR A 16 6.256 6.187 -0.951 1.00 0.00 C ATOM 196 CD1 TYR A 16 7.254 6.071 -1.910 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.998 6.611 -1.362 1.00 0.00 C ATOM 198 CE1 TYR A 16 7.009 6.369 -3.236 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.743 6.909 -2.687 1.00 0.00 C ATOM 200 CZ TYR A 16 5.752 6.788 -3.620 1.00 0.00 C ATOM 201 OH TYR A 16 5.502 7.084 -4.940 1.00 0.00 O ATOM 0 H TYR A 16 7.533 5.875 3.028 1.00 0.00 H new ATOM 0 HA TYR A 16 8.072 7.358 0.519 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.052 4.906 0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.581 5.737 1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.239 5.742 -1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.207 6.709 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.797 6.275 -3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.759 7.235 -2.991 1.00 0.00 H new ATOM 0 HH TYR A 16 4.568 7.363 -5.042 1.00 0.00 H new ATOM 211 N ARG A 17 6.604 8.383 3.005 1.00 0.00 N ATOM 212 CA ARG A 17 5.795 9.432 3.616 1.00 0.00 C ATOM 213 C ARG A 17 6.341 10.813 3.265 1.00 0.00 C ATOM 214 O ARG A 17 5.974 11.812 3.882 1.00 0.00 O ATOM 215 CB ARG A 17 5.759 9.257 5.135 1.00 0.00 C ATOM 216 CG ARG A 17 7.027 9.722 5.832 1.00 0.00 C ATOM 217 CD ARG A 17 8.190 8.781 5.559 1.00 0.00 C ATOM 218 NE ARG A 17 9.303 9.005 6.478 1.00 0.00 N ATOM 219 CZ ARG A 17 10.162 10.011 6.361 1.00 0.00 C ATOM 220 NH1 ARG A 17 10.036 10.882 5.369 1.00 0.00 N ATOM 221 NH2 ARG A 17 11.149 10.148 7.237 1.00 0.00 N ATOM 0 H ARG A 17 7.282 7.953 3.634 1.00 0.00 H new ATOM 0 HA ARG A 17 4.781 9.350 3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.910 9.811 5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.592 8.205 5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.283 10.726 5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.852 9.783 6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.850 7.749 5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.534 8.917 4.534 1.00 0.00 H new ATOM 0 HE ARG A 17 9.427 8.353 7.252 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.278 10.780 4.694 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.697 11.654 5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.249 9.480 8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.808 10.921 7.146 1.00 0.00 H new ATOM 235 N GLY A 18 7.220 10.861 2.269 1.00 0.00 N ATOM 236 CA GLY A 18 7.803 12.123 1.853 1.00 0.00 C ATOM 237 C GLY A 18 6.769 13.084 1.299 1.00 0.00 C ATOM 238 O GLY A 18 5.649 13.163 1.805 1.00 0.00 O ATOM 0 H GLY A 18 7.539 10.048 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.306 12.585 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.564 11.936 1.095 1.00 0.00 H new ATOM 242 N LYS A 19 7.145 13.819 0.258 1.00 0.00 N ATOM 243 CA LYS A 19 6.244 14.780 -0.366 1.00 0.00 C ATOM 244 C LYS A 19 5.974 14.409 -1.820 1.00 0.00 C ATOM 245 O LYS A 19 6.850 14.533 -2.675 1.00 0.00 O ATOM 246 CB LYS A 19 6.836 16.189 -0.290 1.00 0.00 C ATOM 247 CG LYS A 19 7.303 16.579 1.102 1.00 0.00 C ATOM 248 CD LYS A 19 8.485 17.531 1.048 1.00 0.00 C ATOM 249 CE LYS A 19 9.400 17.353 2.249 1.00 0.00 C ATOM 250 NZ LYS A 19 10.754 17.923 2.005 1.00 0.00 N ATOM 0 H LYS A 19 8.069 13.767 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 19 5.299 14.759 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.678 16.258 -0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.088 16.907 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.482 17.048 1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.581 15.683 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.049 17.360 0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.124 18.559 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.955 17.835 3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.489 16.292 2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.347 17.781 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.190 17.446 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.672 18.941 1.807 1.00 0.00 H new ATOM 264 N ASN A 20 4.755 13.954 -2.094 1.00 0.00 N ATOM 265 CA ASN A 20 4.370 13.566 -3.446 1.00 0.00 C ATOM 266 C ASN A 20 3.009 14.150 -3.813 1.00 0.00 C ATOM 267 O ASN A 20 2.181 14.448 -2.952 1.00 0.00 O ATOM 268 CB ASN A 20 4.333 12.041 -3.570 1.00 0.00 C ATOM 269 CG ASN A 20 5.686 11.458 -3.929 1.00 0.00 C ATOM 270 OD1 ASN A 20 6.404 11.997 -4.772 1.00 0.00 O ATOM 271 ND2 ASN A 20 6.041 10.349 -3.290 1.00 0.00 N ATOM 0 H ASN A 20 4.018 13.845 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 20 5.114 13.963 -4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.993 11.611 -2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.605 11.758 -4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.940 9.910 -3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.415 9.936 -2.599 1.00 0.00 H new ATOM 278 N PRO A 21 2.771 14.318 -5.123 1.00 0.00 N ATOM 279 CA PRO A 21 1.512 14.866 -5.634 1.00 0.00 C ATOM 280 C PRO A 21 0.342 13.906 -5.444 1.00 0.00 C ATOM 281 O PRO A 21 0.300 12.837 -6.050 1.00 0.00 O ATOM 282 CB PRO A 21 1.795 15.076 -7.124 1.00 0.00 C ATOM 283 CG PRO A 21 2.872 14.098 -7.446 1.00 0.00 C ATOM 284 CD PRO A 21 3.713 13.984 -6.204 1.00 0.00 C ATOM 0 HA PRO A 21 1.221 15.776 -5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.904 14.896 -7.725 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.115 16.098 -7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.451 13.131 -7.722 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.469 14.439 -8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.121 12.980 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.559 14.671 -6.227 1.00 0.00 H new ATOM 292 N GLY A 22 -0.607 14.297 -4.599 1.00 0.00 N ATOM 293 CA GLY A 22 -1.765 13.459 -4.345 1.00 0.00 C ATOM 294 C GLY A 22 -1.400 11.996 -4.194 1.00 0.00 C ATOM 295 O GLY A 22 -1.867 11.151 -4.958 1.00 0.00 O ATOM 0 H GLY A 22 -0.595 15.178 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.265 13.801 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.477 13.570 -5.163 1.00 0.00 H new ATOM 299 N ASP A 23 -0.562 11.695 -3.208 1.00 0.00 N ATOM 300 CA ASP A 23 -0.134 10.324 -2.960 1.00 0.00 C ATOM 301 C ASP A 23 -0.400 9.925 -1.511 1.00 0.00 C ATOM 302 O ASP A 23 -0.903 10.723 -0.719 1.00 0.00 O ATOM 303 CB ASP A 23 1.353 10.165 -3.281 1.00 0.00 C ATOM 304 CG ASP A 23 1.607 9.957 -4.761 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.876 10.554 -5.577 1.00 0.00 O ATOM 306 OD2 ASP A 23 2.537 9.196 -5.102 1.00 0.00 O ATOM 0 H ASP A 23 -0.166 12.383 -2.567 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.710 9.666 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.891 11.051 -2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.753 9.318 -2.724 1.00 0.00 H new ATOM 311 N LEU A 24 -0.060 8.687 -1.172 1.00 0.00 N ATOM 312 CA LEU A 24 -0.263 8.181 0.181 1.00 0.00 C ATOM 313 C LEU A 24 1.062 8.085 0.931 1.00 0.00 C ATOM 314 O LEU A 24 2.005 7.442 0.468 1.00 0.00 O ATOM 315 CB LEU A 24 -0.938 6.809 0.138 1.00 0.00 C ATOM 316 CG LEU A 24 -1.692 6.392 1.402 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.679 5.278 1.091 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.716 5.957 2.485 1.00 0.00 C ATOM 0 H LEU A 24 0.358 8.015 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.910 8.881 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.637 6.796 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.176 6.058 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.252 7.252 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.206 4.994 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.398 5.625 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.141 4.415 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.269 5.664 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.129 5.111 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.049 6.784 2.727 1.00 0.00 H new ATOM 330 N LYS A 25 1.127 8.727 2.092 1.00 0.00 N ATOM 331 CA LYS A 25 2.334 8.713 2.909 1.00 0.00 C ATOM 332 C LYS A 25 2.353 7.496 3.830 1.00 0.00 C ATOM 333 O LYS A 25 1.428 7.285 4.614 1.00 0.00 O ATOM 334 CB LYS A 25 2.429 9.995 3.739 1.00 0.00 C ATOM 335 CG LYS A 25 2.591 11.251 2.900 1.00 0.00 C ATOM 336 CD LYS A 25 1.986 12.463 3.589 1.00 0.00 C ATOM 337 CE LYS A 25 2.574 13.760 3.054 1.00 0.00 C ATOM 338 NZ LYS A 25 3.825 14.138 3.769 1.00 0.00 N ATOM 0 H LYS A 25 0.356 9.265 2.489 1.00 0.00 H new ATOM 0 HA LYS A 25 3.194 8.656 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.532 10.090 4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.274 9.913 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.650 11.429 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.114 11.106 1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.906 12.464 3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.162 12.398 4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.782 13.652 1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.841 14.560 3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.838 15.166 3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.863 13.647 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.649 13.865 3.196 1.00 0.00 H new ATOM 352 N PHE A 26 3.414 6.701 3.730 1.00 0.00 N ATOM 353 CA PHE A 26 3.553 5.507 4.554 1.00 0.00 C ATOM 354 C PHE A 26 5.008 5.295 4.964 1.00 0.00 C ATOM 355 O PHE A 26 5.925 5.530 4.179 1.00 0.00 O ATOM 356 CB PHE A 26 3.040 4.278 3.800 1.00 0.00 C ATOM 357 CG PHE A 26 3.671 4.097 2.449 1.00 0.00 C ATOM 358 CD1 PHE A 26 4.886 3.444 2.320 1.00 0.00 C ATOM 359 CD2 PHE A 26 3.050 4.581 1.309 1.00 0.00 C ATOM 360 CE1 PHE A 26 5.470 3.275 1.078 1.00 0.00 C ATOM 361 CE2 PHE A 26 3.628 4.415 0.065 1.00 0.00 C ATOM 362 CZ PHE A 26 4.840 3.763 -0.051 1.00 0.00 C ATOM 0 H PHE A 26 4.189 6.863 3.087 1.00 0.00 H new ATOM 0 HA PHE A 26 2.956 5.647 5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.227 3.388 4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.960 4.360 3.680 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.383 3.062 3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.103 5.094 1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.417 2.763 0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.132 4.795 -0.816 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.295 3.635 -1.022 1.00 0.00 H new ATOM 372 N ASN A 27 5.209 4.850 6.200 1.00 0.00 N ATOM 373 CA ASN A 27 6.552 4.608 6.716 1.00 0.00 C ATOM 374 C ASN A 27 6.953 3.148 6.524 1.00 0.00 C ATOM 375 O ASN A 27 6.176 2.237 6.810 1.00 0.00 O ATOM 376 CB ASN A 27 6.626 4.979 8.198 1.00 0.00 C ATOM 377 CG ASN A 27 5.856 6.245 8.516 1.00 0.00 C ATOM 378 OD1 ASN A 27 6.049 7.280 7.878 1.00 0.00 O ATOM 379 ND2 ASN A 27 4.976 6.169 9.509 1.00 0.00 N ATOM 0 H ASN A 27 4.460 4.650 6.863 1.00 0.00 H new ATOM 0 HA ASN A 27 7.248 5.234 6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.231 4.157 8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.669 5.110 8.485 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.428 6.989 9.769 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.848 5.290 10.011 1.00 0.00 H new ATOM 386 N LYS A 28 8.171 2.934 6.040 1.00 0.00 N ATOM 387 CA LYS A 28 8.678 1.586 5.811 1.00 0.00 C ATOM 388 C LYS A 28 8.162 0.623 6.876 1.00 0.00 C ATOM 389 O LYS A 28 8.151 0.943 8.064 1.00 0.00 O ATOM 390 CB LYS A 28 10.209 1.588 5.809 1.00 0.00 C ATOM 391 CG LYS A 28 10.819 0.198 5.745 1.00 0.00 C ATOM 392 CD LYS A 28 12.290 0.217 6.124 1.00 0.00 C ATOM 393 CE LYS A 28 12.805 -1.180 6.432 1.00 0.00 C ATOM 394 NZ LYS A 28 12.294 -1.684 7.737 1.00 0.00 N ATOM 0 H LYS A 28 8.826 3.677 5.798 1.00 0.00 H new ATOM 0 HA LYS A 28 8.320 1.250 4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.562 2.170 4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.565 2.091 6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.278 -0.469 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.707 -0.204 4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.871 0.648 5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.434 0.859 6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.504 -1.862 5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.895 -1.170 6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.830 -2.530 8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.408 -0.947 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.287 -1.927 7.645 1.00 0.00 H new ATOM 408 N GLY A 29 7.737 -0.560 6.442 1.00 0.00 N ATOM 409 CA GLY A 29 7.227 -1.551 7.371 1.00 0.00 C ATOM 410 C GLY A 29 5.720 -1.486 7.519 1.00 0.00 C ATOM 411 O GLY A 29 5.046 -2.516 7.531 1.00 0.00 O ATOM 0 H GLY A 29 7.737 -0.849 5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.513 -2.546 7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.691 -1.403 8.346 1.00 0.00 H new ATOM 415 N ASP A 30 5.190 -0.274 7.632 1.00 0.00 N ATOM 416 CA ASP A 30 3.752 -0.078 7.781 1.00 0.00 C ATOM 417 C ASP A 30 2.981 -0.931 6.778 1.00 0.00 C ATOM 418 O ASP A 30 3.461 -1.198 5.676 1.00 0.00 O ATOM 419 CB ASP A 30 3.394 1.397 7.595 1.00 0.00 C ATOM 420 CG ASP A 30 3.770 2.240 8.798 1.00 0.00 C ATOM 421 OD1 ASP A 30 4.959 2.233 9.180 1.00 0.00 O ATOM 422 OD2 ASP A 30 2.874 2.907 9.357 1.00 0.00 O ATOM 0 H ASP A 30 5.734 0.589 7.623 1.00 0.00 H new ATOM 0 HA ASP A 30 3.471 -0.388 8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.903 1.783 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.323 1.488 7.412 1.00 0.00 H new ATOM 427 N VAL A 31 1.784 -1.358 7.168 1.00 0.00 N ATOM 428 CA VAL A 31 0.947 -2.181 6.304 1.00 0.00 C ATOM 429 C VAL A 31 -0.285 -1.412 5.838 1.00 0.00 C ATOM 430 O VAL A 31 -1.034 -0.870 6.651 1.00 0.00 O ATOM 431 CB VAL A 31 0.495 -3.467 7.020 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.466 -4.257 6.145 1.00 0.00 C ATOM 433 CG2 VAL A 31 1.699 -4.315 7.403 1.00 0.00 C ATOM 0 H VAL A 31 1.372 -1.147 8.077 1.00 0.00 H new ATOM 0 HA VAL A 31 1.553 -2.450 5.439 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.030 -3.187 7.934 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.774 -5.162 6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.343 -3.648 5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.030 -4.528 5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.361 -5.220 7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.253 -4.586 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.346 -3.747 8.071 1.00 0.00 H new ATOM 443 N ILE A 32 -0.488 -1.371 4.526 1.00 0.00 N ATOM 444 CA ILE A 32 -1.630 -0.670 3.952 1.00 0.00 C ATOM 445 C ILE A 32 -2.675 -1.653 3.436 1.00 0.00 C ATOM 446 O ILE A 32 -2.370 -2.538 2.636 1.00 0.00 O ATOM 447 CB ILE A 32 -1.200 0.257 2.800 1.00 0.00 C ATOM 448 CG1 ILE A 32 -0.101 1.213 3.268 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.396 1.036 2.272 1.00 0.00 C ATOM 450 CD1 ILE A 32 0.848 1.629 2.166 1.00 0.00 C ATOM 0 H ILE A 32 0.123 -1.815 3.840 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.064 -0.067 4.750 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.803 -0.355 1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.563 2.104 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.468 0.736 4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.076 1.687 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.150 0.340 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.820 1.640 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.600 2.306 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.338 0.746 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.291 2.135 1.378 1.00 0.00 H new ATOM 462 N LEU A 33 -3.910 -1.490 3.897 1.00 0.00 N ATOM 463 CA LEU A 33 -5.003 -2.362 3.480 1.00 0.00 C ATOM 464 C LEU A 33 -5.500 -1.986 2.088 1.00 0.00 C ATOM 465 O LEU A 33 -6.025 -0.891 1.879 1.00 0.00 O ATOM 466 CB LEU A 33 -6.155 -2.283 4.484 1.00 0.00 C ATOM 467 CG LEU A 33 -6.010 -3.141 5.741 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.310 -2.359 6.842 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.372 -3.628 6.214 1.00 0.00 C ATOM 0 H LEU A 33 -4.180 -0.763 4.559 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.627 -3.384 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.273 -1.243 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.074 -2.572 3.975 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.400 -4.011 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.215 -2.985 7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.319 -2.060 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.894 -1.471 7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.250 -4.237 7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.006 -2.771 6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.837 -4.225 5.430 1.00 0.00 H new ATOM 481 N LEU A 34 -5.332 -2.900 1.139 1.00 0.00 N ATOM 482 CA LEU A 34 -5.765 -2.665 -0.234 1.00 0.00 C ATOM 483 C LEU A 34 -7.255 -2.343 -0.288 1.00 0.00 C ATOM 484 O LEU A 34 -8.096 -3.205 -0.030 1.00 0.00 O ATOM 485 CB LEU A 34 -5.465 -3.890 -1.101 1.00 0.00 C ATOM 486 CG LEU A 34 -3.997 -4.110 -1.466 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.837 -5.374 -2.297 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.447 -2.904 -2.214 1.00 0.00 C ATOM 0 H LEU A 34 -4.899 -3.810 1.295 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.213 -1.809 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.826 -4.777 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.040 -3.807 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.428 -4.231 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.785 -5.514 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.192 -6.232 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.419 -5.283 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.401 -3.078 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.020 -2.751 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.526 -2.018 -1.584 1.00 0.00 H new ATOM 500 N ARG A 35 -7.575 -1.098 -0.626 1.00 0.00 N ATOM 501 CA ARG A 35 -8.963 -0.662 -0.714 1.00 0.00 C ATOM 502 C ARG A 35 -9.471 -0.755 -2.150 1.00 0.00 C ATOM 503 O ARG A 35 -10.575 -1.240 -2.398 1.00 0.00 O ATOM 504 CB ARG A 35 -9.103 0.773 -0.203 1.00 0.00 C ATOM 505 CG ARG A 35 -10.514 1.325 -0.319 1.00 0.00 C ATOM 506 CD ARG A 35 -11.490 0.547 0.550 1.00 0.00 C ATOM 507 NE ARG A 35 -11.294 0.818 1.971 1.00 0.00 N ATOM 508 CZ ARG A 35 -11.658 -0.019 2.936 1.00 0.00 C ATOM 509 NH1 ARG A 35 -12.234 -1.174 2.634 1.00 0.00 N ATOM 510 NH2 ARG A 35 -11.446 0.299 4.207 1.00 0.00 N ATOM 0 H ARG A 35 -6.891 -0.373 -0.843 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.566 -1.322 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.792 0.810 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.423 1.417 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.520 2.375 -0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.838 1.283 -1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.511 0.806 0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.369 -0.520 0.365 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.853 1.698 2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.399 -1.422 1.658 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.512 -1.815 3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.003 1.187 4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.726 -0.344 4.947 1.00 0.00 H new ATOM 524 N ARG A 36 -8.659 -0.286 -3.091 1.00 0.00 N ATOM 525 CA ARG A 36 -9.027 -0.313 -4.501 1.00 0.00 C ATOM 526 C ARG A 36 -7.795 -0.505 -5.381 1.00 0.00 C ATOM 527 O ARG A 36 -6.958 0.390 -5.495 1.00 0.00 O ATOM 528 CB ARG A 36 -9.747 0.980 -4.888 1.00 0.00 C ATOM 529 CG ARG A 36 -9.975 1.126 -6.384 1.00 0.00 C ATOM 530 CD ARG A 36 -9.985 2.587 -6.806 1.00 0.00 C ATOM 531 NE ARG A 36 -11.204 3.271 -6.383 1.00 0.00 N ATOM 532 CZ ARG A 36 -12.347 3.219 -7.056 1.00 0.00 C ATOM 533 NH1 ARG A 36 -12.428 2.519 -8.179 1.00 0.00 N ATOM 534 NH2 ARG A 36 -13.413 3.869 -6.607 1.00 0.00 N ATOM 0 H ARG A 36 -7.741 0.117 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.700 -1.156 -4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.709 1.017 -4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.165 1.830 -4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.192 0.595 -6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.923 0.661 -6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.119 3.093 -6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.891 2.652 -7.890 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.176 3.819 -5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.611 2.018 -8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.308 2.481 -8.694 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.355 4.409 -5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.291 3.828 -7.125 1.00 0.00 H new ATOM 548 N GLN A 37 -7.692 -1.677 -5.999 1.00 0.00 N ATOM 549 CA GLN A 37 -6.561 -1.985 -6.867 1.00 0.00 C ATOM 550 C GLN A 37 -6.769 -1.400 -8.260 1.00 0.00 C ATOM 551 O GLN A 37 -7.351 -2.043 -9.135 1.00 0.00 O ATOM 552 CB GLN A 37 -6.362 -3.499 -6.962 1.00 0.00 C ATOM 553 CG GLN A 37 -5.305 -3.911 -7.974 1.00 0.00 C ATOM 554 CD GLN A 37 -5.257 -5.411 -8.189 1.00 0.00 C ATOM 555 OE1 GLN A 37 -5.715 -6.186 -7.348 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.702 -5.830 -9.321 1.00 0.00 N ATOM 0 H GLN A 37 -8.377 -2.428 -5.915 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.669 -1.534 -6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.083 -3.883 -5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.310 -3.966 -7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.506 -3.418 -8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.329 -3.565 -7.635 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.335 -5.153 -9.990 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.643 -6.828 -9.521 1.00 0.00 H new ATOM 565 N LEU A 38 -6.291 -0.177 -8.459 1.00 0.00 N ATOM 566 CA LEU A 38 -6.424 0.497 -9.747 1.00 0.00 C ATOM 567 C LEU A 38 -5.837 -0.353 -10.869 1.00 0.00 C ATOM 568 O LEU A 38 -6.415 -0.456 -11.951 1.00 0.00 O ATOM 569 CB LEU A 38 -5.729 1.859 -9.706 1.00 0.00 C ATOM 570 CG LEU A 38 -6.048 2.739 -8.498 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.006 2.546 -7.407 1.00 0.00 C ATOM 572 CD2 LEU A 38 -6.127 4.202 -8.909 1.00 0.00 C ATOM 0 H LEU A 38 -5.808 0.369 -7.746 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.486 0.644 -9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.652 1.696 -9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.994 2.407 -10.610 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.019 2.441 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.250 3.181 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.998 1.503 -7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.022 2.816 -7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.355 4.813 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.171 4.514 -9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.911 4.328 -9.655 1.00 0.00 H new ATOM 584 N ASP A 39 -4.687 -0.962 -10.603 1.00 0.00 N ATOM 585 CA ASP A 39 -4.023 -1.806 -11.590 1.00 0.00 C ATOM 586 C ASP A 39 -2.880 -2.591 -10.952 1.00 0.00 C ATOM 587 O ASP A 39 -2.668 -2.524 -9.742 1.00 0.00 O ATOM 588 CB ASP A 39 -3.492 -0.957 -12.745 1.00 0.00 C ATOM 589 CG ASP A 39 -4.581 -0.569 -13.726 1.00 0.00 C ATOM 590 OD1 ASP A 39 -5.018 -1.443 -14.503 1.00 0.00 O ATOM 591 OD2 ASP A 39 -4.995 0.609 -13.719 1.00 0.00 O ATOM 0 H ASP A 39 -4.195 -0.887 -9.713 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.755 -2.514 -11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.028 -0.055 -12.346 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.713 -1.510 -13.271 1.00 0.00 H new ATOM 596 N GLU A 40 -2.148 -3.335 -11.776 1.00 0.00 N ATOM 597 CA GLU A 40 -1.028 -4.134 -11.291 1.00 0.00 C ATOM 598 C GLU A 40 0.216 -3.270 -11.105 1.00 0.00 C ATOM 599 O GLU A 40 1.317 -3.783 -10.911 1.00 0.00 O ATOM 600 CB GLU A 40 -0.729 -5.276 -12.264 1.00 0.00 C ATOM 601 CG GLU A 40 -1.923 -6.178 -12.530 1.00 0.00 C ATOM 602 CD GLU A 40 -2.479 -6.797 -11.263 1.00 0.00 C ATOM 603 OE1 GLU A 40 -1.734 -6.874 -10.264 1.00 0.00 O ATOM 604 OE2 GLU A 40 -3.660 -7.205 -11.270 1.00 0.00 O ATOM 0 H GLU A 40 -2.310 -3.401 -12.781 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.305 -4.554 -10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.384 -4.856 -13.209 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.088 -5.877 -11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.706 -5.602 -13.023 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.629 -6.970 -13.218 1.00 0.00 H new ATOM 611 N ASN A 41 0.031 -1.955 -11.167 1.00 0.00 N ATOM 612 CA ASN A 41 1.138 -1.019 -11.006 1.00 0.00 C ATOM 613 C ASN A 41 0.968 -0.188 -9.738 1.00 0.00 C ATOM 614 O ASN A 41 1.919 0.010 -8.982 1.00 0.00 O ATOM 615 CB ASN A 41 1.235 -0.099 -12.224 1.00 0.00 C ATOM 616 CG ASN A 41 1.410 -0.869 -13.519 1.00 0.00 C ATOM 617 OD1 ASN A 41 2.506 -0.927 -14.077 1.00 0.00 O ATOM 618 ND2 ASN A 41 0.326 -1.465 -14.003 1.00 0.00 N ATOM 0 H ASN A 41 -0.875 -1.514 -11.327 1.00 0.00 H new ATOM 0 HA ASN A 41 2.059 -1.595 -10.920 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.335 0.512 -12.287 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.075 0.584 -12.094 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.382 -1.998 -14.871 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.562 -1.390 -13.507 1.00 0.00 H new ATOM 625 N TRP A 42 -0.249 0.295 -9.513 1.00 0.00 N ATOM 626 CA TRP A 42 -0.543 1.104 -8.336 1.00 0.00 C ATOM 627 C TRP A 42 -1.585 0.424 -7.455 1.00 0.00 C ATOM 628 O TRP A 42 -2.279 -0.493 -7.893 1.00 0.00 O ATOM 629 CB TRP A 42 -1.038 2.489 -8.756 1.00 0.00 C ATOM 630 CG TRP A 42 0.006 3.307 -9.453 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.555 3.063 -10.679 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.629 4.500 -8.963 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.481 4.032 -10.982 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.544 4.926 -9.945 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.501 5.251 -7.792 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.326 6.067 -9.789 1.00 0.00 C ATOM 637 CZ3 TRP A 42 1.278 6.383 -7.638 1.00 0.00 C ATOM 638 CH2 TRP A 42 2.180 6.783 -8.632 1.00 0.00 C ATOM 0 H TRP A 42 -1.047 0.141 -10.129 1.00 0.00 H new ATOM 0 HA TRP A 42 0.376 1.213 -7.761 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.899 2.375 -9.414 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.381 3.027 -7.873 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.299 2.230 -11.317 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.032 4.078 -11.839 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.193 4.952 -7.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.023 6.376 -10.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.188 6.970 -6.736 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.772 7.674 -8.482 1.00 0.00 H new ATOM 649 N TYR A 43 -1.689 0.879 -6.211 1.00 0.00 N ATOM 650 CA TYR A 43 -2.646 0.313 -5.267 1.00 0.00 C ATOM 651 C TYR A 43 -3.132 1.372 -4.283 1.00 0.00 C ATOM 652 O TYR A 43 -2.333 2.028 -3.616 1.00 0.00 O ATOM 653 CB TYR A 43 -2.013 -0.854 -4.507 1.00 0.00 C ATOM 654 CG TYR A 43 -1.461 -1.936 -5.408 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.265 -2.552 -6.359 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.136 -2.340 -5.309 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.765 -3.541 -7.184 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.373 -3.328 -6.130 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.445 -3.925 -7.065 1.00 0.00 C ATOM 660 OH TYR A 43 0.057 -4.909 -7.886 1.00 0.00 O ATOM 0 H TYR A 43 -1.122 1.638 -5.833 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.504 -0.052 -5.832 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.209 -0.473 -3.877 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.759 -1.291 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.298 -2.253 -6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.508 -1.874 -4.578 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.403 -4.011 -7.918 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.406 -3.631 -6.040 1.00 0.00 H new ATOM 0 HH TYR A 43 1.002 -5.061 -7.675 1.00 0.00 H new ATOM 670 N GLN A 44 -4.449 1.531 -4.198 1.00 0.00 N ATOM 671 CA GLN A 44 -5.043 2.509 -3.295 1.00 0.00 C ATOM 672 C GLN A 44 -5.490 1.850 -1.995 1.00 0.00 C ATOM 673 O GLN A 44 -5.975 0.719 -1.995 1.00 0.00 O ATOM 674 CB GLN A 44 -6.233 3.197 -3.967 1.00 0.00 C ATOM 675 CG GLN A 44 -6.889 4.261 -3.101 1.00 0.00 C ATOM 676 CD GLN A 44 -8.001 3.703 -2.235 1.00 0.00 C ATOM 677 OE1 GLN A 44 -7.827 3.506 -1.032 1.00 0.00 O ATOM 678 NE2 GLN A 44 -9.153 3.446 -2.843 1.00 0.00 N ATOM 0 H GLN A 44 -5.124 0.995 -4.743 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.285 3.256 -3.060 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.899 3.654 -4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.977 2.444 -4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.134 4.722 -2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.291 5.047 -3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.253 3.625 -3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.938 3.070 -2.311 1.00 0.00 H new ATOM 687 N GLY A 45 -5.323 2.565 -0.886 1.00 0.00 N ATOM 688 CA GLY A 45 -5.713 2.032 0.406 1.00 0.00 C ATOM 689 C GLY A 45 -5.993 3.122 1.422 1.00 0.00 C ATOM 690 O GLY A 45 -6.379 4.232 1.059 1.00 0.00 O ATOM 0 H GLY A 45 -4.925 3.504 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.602 1.413 0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.922 1.384 0.782 1.00 0.00 H new ATOM 694 N GLU A 46 -5.801 2.803 2.698 1.00 0.00 N ATOM 695 CA GLU A 46 -6.038 3.764 3.769 1.00 0.00 C ATOM 696 C GLU A 46 -5.181 3.441 4.989 1.00 0.00 C ATOM 697 O GLU A 46 -5.246 2.337 5.532 1.00 0.00 O ATOM 698 CB GLU A 46 -7.518 3.771 4.159 1.00 0.00 C ATOM 699 CG GLU A 46 -7.771 4.248 5.579 1.00 0.00 C ATOM 700 CD GLU A 46 -9.246 4.296 5.924 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.912 5.282 5.545 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.736 3.348 6.574 1.00 0.00 O ATOM 0 H GLU A 46 -5.482 1.887 3.015 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.761 4.753 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.064 4.412 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.920 2.764 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.260 3.585 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.339 5.241 5.707 1.00 0.00 H new ATOM 709 N ILE A 47 -4.379 4.411 5.415 1.00 0.00 N ATOM 710 CA ILE A 47 -3.509 4.230 6.571 1.00 0.00 C ATOM 711 C ILE A 47 -3.789 5.282 7.638 1.00 0.00 C ATOM 712 O ILE A 47 -3.710 6.482 7.378 1.00 0.00 O ATOM 713 CB ILE A 47 -2.023 4.301 6.173 1.00 0.00 C ATOM 714 CG1 ILE A 47 -1.134 4.056 7.395 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.707 5.649 5.543 1.00 0.00 C ATOM 716 CD1 ILE A 47 0.251 3.560 7.044 1.00 0.00 C ATOM 0 H ILE A 47 -4.313 5.330 4.977 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.721 3.240 6.975 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.821 3.522 5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.046 4.983 7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.618 3.328 8.046 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.653 5.684 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.320 5.787 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.921 6.444 6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.825 3.408 7.958 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.173 2.617 6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.754 4.297 6.418 1.00 0.00 H new ATOM 728 N ASN A 48 -4.115 4.823 8.842 1.00 0.00 N ATOM 729 CA ASN A 48 -4.405 5.725 9.951 1.00 0.00 C ATOM 730 C ASN A 48 -5.419 6.787 9.537 1.00 0.00 C ATOM 731 O ASN A 48 -5.278 7.961 9.878 1.00 0.00 O ATOM 732 CB ASN A 48 -3.120 6.394 10.442 1.00 0.00 C ATOM 733 CG ASN A 48 -2.251 5.452 11.252 1.00 0.00 C ATOM 734 OD1 ASN A 48 -2.410 4.233 11.188 1.00 0.00 O ATOM 735 ND2 ASN A 48 -1.325 6.014 12.021 1.00 0.00 N ATOM 0 H ASN A 48 -4.185 3.832 9.075 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.832 5.137 10.763 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.554 6.760 9.585 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.375 7.262 11.050 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.711 5.430 12.589 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.228 7.029 12.043 1.00 0.00 H new ATOM 742 N GLY A 49 -6.442 6.366 8.800 1.00 0.00 N ATOM 743 CA GLY A 49 -7.465 7.293 8.352 1.00 0.00 C ATOM 744 C GLY A 49 -6.979 8.198 7.237 1.00 0.00 C ATOM 745 O GLY A 49 -7.455 9.324 7.089 1.00 0.00 O ATOM 0 H GLY A 49 -6.581 5.399 8.505 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.334 6.732 8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.792 7.903 9.194 1.00 0.00 H new ATOM 749 N VAL A 50 -6.026 7.707 6.451 1.00 0.00 N ATOM 750 CA VAL A 50 -5.474 8.479 5.344 1.00 0.00 C ATOM 751 C VAL A 50 -5.573 7.707 4.033 1.00 0.00 C ATOM 752 O VAL A 50 -4.878 6.710 3.833 1.00 0.00 O ATOM 753 CB VAL A 50 -4.002 8.851 5.598 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.450 9.668 4.440 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.863 9.609 6.910 1.00 0.00 C ATOM 0 H VAL A 50 -5.620 6.778 6.560 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.064 9.393 5.270 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.421 7.932 5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.408 9.922 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.514 9.086 3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.032 10.583 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.816 9.864 7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.457 10.522 6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.217 8.984 7.730 1.00 0.00 H new ATOM 765 N SER A 51 -6.441 8.174 3.141 1.00 0.00 N ATOM 766 CA SER A 51 -6.633 7.526 1.849 1.00 0.00 C ATOM 767 C SER A 51 -5.659 8.080 0.813 1.00 0.00 C ATOM 768 O SER A 51 -5.446 9.288 0.728 1.00 0.00 O ATOM 769 CB SER A 51 -8.072 7.719 1.367 1.00 0.00 C ATOM 770 OG SER A 51 -8.391 9.095 1.253 1.00 0.00 O ATOM 0 H SER A 51 -7.022 8.999 3.290 1.00 0.00 H new ATOM 0 HA SER A 51 -6.438 6.461 1.972 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.204 7.231 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.760 7.239 2.064 1.00 0.00 H new ATOM 0 HG SER A 51 -9.315 9.192 0.942 1.00 0.00 H new ATOM 776 N GLY A 52 -5.070 7.185 0.026 1.00 0.00 N ATOM 777 CA GLY A 52 -4.125 7.601 -0.994 1.00 0.00 C ATOM 778 C GLY A 52 -3.714 6.461 -1.904 1.00 0.00 C ATOM 779 O GLY A 52 -4.160 5.327 -1.729 1.00 0.00 O ATOM 0 H GLY A 52 -5.230 6.179 0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.568 8.397 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.239 8.017 -0.515 1.00 0.00 H new ATOM 783 N ILE A 53 -2.864 6.762 -2.880 1.00 0.00 N ATOM 784 CA ILE A 53 -2.395 5.753 -3.822 1.00 0.00 C ATOM 785 C ILE A 53 -0.878 5.611 -3.764 1.00 0.00 C ATOM 786 O ILE A 53 -0.172 6.534 -3.357 1.00 0.00 O ATOM 787 CB ILE A 53 -2.813 6.092 -5.265 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.259 7.459 -5.671 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.328 6.067 -5.397 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.423 7.764 -7.144 1.00 0.00 C ATOM 0 H ILE A 53 -2.486 7.696 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.858 4.810 -3.531 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.398 5.339 -5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.761 8.233 -5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.201 7.504 -5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.608 6.309 -6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.699 5.074 -5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.764 6.801 -4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.008 8.749 -7.360 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.897 7.012 -7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.482 7.752 -7.402 1.00 0.00 H new ATOM 802 N PHE A 54 -0.382 4.448 -4.175 1.00 0.00 N ATOM 803 CA PHE A 54 1.053 4.185 -4.171 1.00 0.00 C ATOM 804 C PHE A 54 1.410 3.106 -5.189 1.00 0.00 C ATOM 805 O PHE A 54 0.591 2.260 -5.548 1.00 0.00 O ATOM 806 CB PHE A 54 1.510 3.757 -2.775 1.00 0.00 C ATOM 807 CG PHE A 54 0.618 2.728 -2.141 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.526 3.110 -1.458 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.922 1.379 -2.228 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.348 2.165 -0.873 1.00 0.00 C ATOM 811 CE2 PHE A 54 0.104 0.430 -1.646 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.034 0.824 -0.968 1.00 0.00 C ATOM 0 H PHE A 54 -0.952 3.673 -4.515 1.00 0.00 H new ATOM 0 HA PHE A 54 1.567 5.105 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.522 3.358 -2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.553 4.635 -2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.778 4.157 -1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.810 1.065 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.236 2.476 -0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.353 -0.618 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.676 0.084 -0.513 1.00 0.00 H new ATOM 822 N PRO A 55 2.664 3.135 -5.665 1.00 0.00 N ATOM 823 CA PRO A 55 3.159 2.167 -6.648 1.00 0.00 C ATOM 824 C PRO A 55 3.311 0.769 -6.059 1.00 0.00 C ATOM 825 O PRO A 55 2.892 0.511 -4.931 1.00 0.00 O ATOM 826 CB PRO A 55 4.526 2.732 -7.044 1.00 0.00 C ATOM 827 CG PRO A 55 4.954 3.545 -5.871 1.00 0.00 C ATOM 828 CD PRO A 55 3.694 4.114 -5.280 1.00 0.00 C ATOM 0 HA PRO A 55 2.472 2.049 -7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.238 1.934 -7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.456 3.342 -7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.484 2.931 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.636 4.339 -6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.768 4.215 -4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.475 5.105 -5.678 1.00 0.00 H new ATOM 836 N ALA A 56 3.913 -0.131 -6.830 1.00 0.00 N ATOM 837 CA ALA A 56 4.122 -1.503 -6.383 1.00 0.00 C ATOM 838 C ALA A 56 5.597 -1.769 -6.100 1.00 0.00 C ATOM 839 O ALA A 56 5.946 -2.757 -5.455 1.00 0.00 O ATOM 840 CB ALA A 56 3.597 -2.482 -7.423 1.00 0.00 C ATOM 0 H ALA A 56 4.265 0.065 -7.767 1.00 0.00 H new ATOM 0 HA ALA A 56 3.569 -1.645 -5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.759 -3.503 -7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.530 -2.315 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.125 -2.330 -8.365 1.00 0.00 H new ATOM 846 N SER A 57 6.458 -0.881 -6.586 1.00 0.00 N ATOM 847 CA SER A 57 7.896 -1.023 -6.389 1.00 0.00 C ATOM 848 C SER A 57 8.303 -0.543 -4.999 1.00 0.00 C ATOM 849 O SER A 57 9.320 -0.973 -4.455 1.00 0.00 O ATOM 850 CB SER A 57 8.658 -0.236 -7.457 1.00 0.00 C ATOM 851 OG SER A 57 8.363 1.147 -7.379 1.00 0.00 O ATOM 0 H SER A 57 6.185 -0.055 -7.119 1.00 0.00 H new ATOM 0 HA SER A 57 8.148 -2.080 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.730 -0.390 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.396 -0.612 -8.446 1.00 0.00 H new ATOM 0 HG SER A 57 8.864 1.628 -8.071 1.00 0.00 H new ATOM 857 N SER A 58 7.501 0.351 -4.430 1.00 0.00 N ATOM 858 CA SER A 58 7.779 0.894 -3.105 1.00 0.00 C ATOM 859 C SER A 58 7.255 -0.038 -2.016 1.00 0.00 C ATOM 860 O SER A 58 7.781 -0.067 -0.903 1.00 0.00 O ATOM 861 CB SER A 58 7.147 2.279 -2.955 1.00 0.00 C ATOM 862 OG SER A 58 7.893 3.258 -3.656 1.00 0.00 O ATOM 0 H SER A 58 6.653 0.715 -4.866 1.00 0.00 H new ATOM 0 HA SER A 58 8.860 0.983 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.124 2.258 -3.331 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.093 2.545 -1.899 1.00 0.00 H new ATOM 0 HG SER A 58 7.634 4.151 -3.346 1.00 0.00 H new ATOM 868 N VAL A 59 6.216 -0.797 -2.346 1.00 0.00 N ATOM 869 CA VAL A 59 5.620 -1.731 -1.397 1.00 0.00 C ATOM 870 C VAL A 59 5.626 -3.153 -1.948 1.00 0.00 C ATOM 871 O VAL A 59 6.004 -3.382 -3.097 1.00 0.00 O ATOM 872 CB VAL A 59 4.173 -1.333 -1.051 1.00 0.00 C ATOM 873 CG1 VAL A 59 4.119 0.105 -0.556 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.265 -1.525 -2.256 1.00 0.00 C ATOM 0 H VAL A 59 5.769 -0.784 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 59 6.226 -1.692 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 59 3.818 -1.982 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.089 0.369 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.737 0.206 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.493 0.772 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.247 -1.239 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.616 -0.902 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.281 -2.571 -2.560 1.00 0.00 H new ATOM 884 N GLU A 60 5.203 -4.104 -1.121 1.00 0.00 N ATOM 885 CA GLU A 60 5.161 -5.504 -1.527 1.00 0.00 C ATOM 886 C GLU A 60 3.893 -6.180 -1.013 1.00 0.00 C ATOM 887 O GLU A 60 3.458 -5.936 0.112 1.00 0.00 O ATOM 888 CB GLU A 60 6.394 -6.246 -1.008 1.00 0.00 C ATOM 889 CG GLU A 60 7.648 -5.990 -1.827 1.00 0.00 C ATOM 890 CD GLU A 60 8.640 -7.133 -1.747 1.00 0.00 C ATOM 891 OE1 GLU A 60 9.263 -7.305 -0.678 1.00 0.00 O ATOM 892 OE2 GLU A 60 8.795 -7.857 -2.753 1.00 0.00 O ATOM 0 H GLU A 60 4.885 -3.931 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 60 5.157 -5.541 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.578 -5.950 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.187 -7.316 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.370 -5.827 -2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.125 -5.075 -1.477 1.00 0.00 H new ATOM 899 N VAL A 61 3.304 -7.032 -1.847 1.00 0.00 N ATOM 900 CA VAL A 61 2.087 -7.745 -1.478 1.00 0.00 C ATOM 901 C VAL A 61 2.401 -8.953 -0.603 1.00 0.00 C ATOM 902 O VAL A 61 1.552 -9.821 -0.398 1.00 0.00 O ATOM 903 CB VAL A 61 1.313 -8.215 -2.724 1.00 0.00 C ATOM 904 CG1 VAL A 61 -0.040 -8.787 -2.328 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.148 -7.069 -3.711 1.00 0.00 C ATOM 0 H VAL A 61 3.650 -7.245 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 61 1.468 -7.045 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 61 1.886 -9.004 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.572 -9.114 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.105 -9.637 -1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.624 -8.021 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.599 -7.418 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.597 -6.257 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.130 -6.710 -4.019 1.00 0.00 H new ATOM 915 N ILE A 62 3.626 -9.002 -0.090 1.00 0.00 N ATOM 916 CA ILE A 62 4.052 -10.104 0.765 1.00 0.00 C ATOM 917 C ILE A 62 3.369 -10.039 2.127 1.00 0.00 C ATOM 918 O ILE A 62 3.186 -11.059 2.791 1.00 0.00 O ATOM 919 CB ILE A 62 5.578 -10.101 0.968 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.024 -8.796 1.632 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.290 -10.295 -0.362 1.00 0.00 C ATOM 922 CD1 ILE A 62 7.412 -8.865 2.229 1.00 0.00 C ATOM 0 H ILE A 62 4.341 -8.292 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 62 3.763 -11.025 0.260 1.00 0.00 H new ATOM 0 HB ILE A 62 5.844 -10.930 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.994 -7.994 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.313 -8.535 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.368 -10.291 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.992 -11.248 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.021 -9.485 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.661 -7.905 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.442 -9.644 2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.134 -9.095 1.445 1.00 0.00 H new