USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 400 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 13 ASN : amide:sc= -3.89! C(o=-3.8!,f=-2.9!) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -151:sc= -1.43! (180deg=-2.86!) USER MOD Set 1.3: A 61 SER OG : rot -108:sc= 1.55 USER MOD Single : A 16 SER OG : rot 63:sc= 0.271 USER MOD Single : A 20 THR OG1 : rot -162:sc= 0.631 USER MOD Single : A 21 ASN : amide:sc= -0.351 K(o=-0.35,f=-4.7!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.05) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 35 GLN : amide:sc= -0.252 K(o=-0.25,f=0.44) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0541 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 41 SER OG : rot -46:sc= 0.449 USER MOD Single : A 44 SER OG : rot 180:sc= -1.97! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.969 K(o=-0.97,f=-0.17) USER MOD Single : A 51 GLN : amide:sc= -0.72 K(o=-0.72,f=-0.11) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -131:sc= 1.22 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 154 N ALA A 11 -2.585 0.680 -15.631 1.00 3.15 N ATOM 155 CA ALA A 11 -2.586 -0.229 -14.485 1.00 32.34 C ATOM 156 C ALA A 11 -2.091 0.494 -13.234 1.00 32.23 C ATOM 157 O ALA A 11 -2.223 1.714 -13.130 1.00 53.33 O ATOM 158 CB ALA A 11 -1.746 -1.471 -14.776 1.00 31.04 C ATOM 0 HA ALA A 11 -3.609 -0.558 -14.304 1.00 32.34 H new ATOM 0 HB1 ALA A 11 -1.762 -2.132 -13.909 1.00 31.04 H new ATOM 0 HB2 ALA A 11 -2.157 -1.994 -15.639 1.00 31.04 H new ATOM 0 HB3 ALA A 11 -0.719 -1.174 -14.987 1.00 31.04 H new ATOM 164 N LEU A 12 -1.565 -0.269 -12.269 1.00 4.53 N ATOM 165 CA LEU A 12 -1.021 0.294 -11.031 1.00 44.54 C ATOM 166 C LEU A 12 -2.094 1.089 -10.280 1.00 44.44 C ATOM 167 O LEU A 12 -1.792 2.011 -9.525 1.00 13.43 O ATOM 168 CB LEU A 12 0.198 1.182 -11.344 1.00 42.33 C ATOM 169 CG LEU A 12 1.026 1.627 -10.135 1.00 72.13 C ATOM 170 CD1 LEU A 12 1.613 0.425 -9.412 1.00 30.02 C ATOM 171 CD2 LEU A 12 2.131 2.573 -10.575 1.00 3.03 C ATOM 0 H LEU A 12 -1.505 -1.286 -12.324 1.00 4.53 H new ATOM 0 HA LEU A 12 -0.698 -0.525 -10.388 1.00 44.54 H new ATOM 0 HB2 LEU A 12 0.851 0.641 -12.029 1.00 42.33 H new ATOM 0 HB3 LEU A 12 -0.149 2.071 -11.870 1.00 42.33 H new ATOM 0 HG LEU A 12 0.369 2.153 -9.442 1.00 72.13 H new ATOM 0 HD11 LEU A 12 2.197 0.764 -8.557 1.00 30.02 H new ATOM 0 HD12 LEU A 12 0.806 -0.222 -9.067 1.00 30.02 H new ATOM 0 HD13 LEU A 12 2.257 -0.131 -10.094 1.00 30.02 H new ATOM 0 HD21 LEU A 12 2.713 2.882 -9.706 1.00 3.03 H new ATOM 0 HD22 LEU A 12 2.783 2.065 -11.286 1.00 3.03 H new ATOM 0 HD23 LEU A 12 1.691 3.451 -11.048 1.00 3.03 H new ATOM 183 N ASN A 13 -3.351 0.699 -10.484 1.00 34.33 N ATOM 184 CA ASN A 13 -4.488 1.371 -9.854 1.00 12.54 C ATOM 185 C ASN A 13 -4.363 1.341 -8.335 1.00 50.43 C ATOM 186 O ASN A 13 -4.651 2.321 -7.650 1.00 35.10 O ATOM 187 CB ASN A 13 -5.796 0.709 -10.289 1.00 45.50 C ATOM 188 CG ASN A 13 -7.005 1.382 -9.677 1.00 24.41 C ATOM 189 OD1 ASN A 13 -7.443 1.020 -8.586 1.00 54.52 O ATOM 190 ND2 ASN A 13 -7.563 2.354 -10.383 1.00 1.41 N ATOM 0 H ASN A 13 -3.610 -0.084 -11.084 1.00 34.33 H new ATOM 0 HA ASN A 13 -4.492 2.413 -10.175 1.00 12.54 H new ATOM 0 HB2 ASN A 13 -5.875 0.742 -11.376 1.00 45.50 H new ATOM 0 HB3 ASN A 13 -5.783 -0.342 -10.002 1.00 45.50 H new ATOM 0 HD21 ASN A 13 -8.389 2.834 -10.026 1.00 1.41 H new ATOM 0 HD22 ASN A 13 -7.167 2.622 -11.284 1.00 1.41 H new ATOM 197 N VAL A 14 -3.956 0.196 -7.827 1.00 21.42 N ATOM 198 CA VAL A 14 -3.598 0.054 -6.434 1.00 22.22 C ATOM 199 C VAL A 14 -2.124 -0.323 -6.371 1.00 72.14 C ATOM 200 O VAL A 14 -1.282 0.436 -5.895 1.00 53.44 O ATOM 201 CB VAL A 14 -4.445 -1.031 -5.728 1.00 21.43 C ATOM 202 CG1 VAL A 14 -4.104 -1.101 -4.246 1.00 53.54 C ATOM 203 CG2 VAL A 14 -5.930 -0.773 -5.923 1.00 52.42 C ATOM 0 H VAL A 14 -3.865 -0.662 -8.370 1.00 21.42 H new ATOM 0 HA VAL A 14 -3.789 0.995 -5.918 1.00 22.22 H new ATOM 0 HB VAL A 14 -4.205 -1.993 -6.181 1.00 21.43 H new ATOM 0 HG11 VAL A 14 -4.711 -1.870 -3.769 1.00 53.54 H new ATOM 0 HG12 VAL A 14 -3.049 -1.346 -4.127 1.00 53.54 H new ATOM 0 HG13 VAL A 14 -4.308 -0.137 -3.780 1.00 53.54 H new ATOM 0 HG21 VAL A 14 -6.504 -1.550 -5.417 1.00 52.42 H new ATOM 0 HG22 VAL A 14 -6.188 0.200 -5.505 1.00 52.42 H new ATOM 0 HG23 VAL A 14 -6.164 -0.784 -6.987 1.00 52.42 H new ATOM 213 N ARG A 15 -1.829 -1.504 -6.892 1.00 50.32 N ATOM 214 CA ARG A 15 -0.465 -1.952 -7.109 1.00 72.35 C ATOM 215 C ARG A 15 -0.396 -2.652 -8.459 1.00 74.44 C ATOM 216 O ARG A 15 -1.309 -2.502 -9.270 1.00 11.14 O ATOM 217 CB ARG A 15 -0.004 -2.900 -5.998 1.00 14.13 C ATOM 218 CG ARG A 15 0.309 -2.221 -4.669 1.00 62.44 C ATOM 219 CD ARG A 15 1.551 -1.335 -4.744 1.00 5.43 C ATOM 220 NE ARG A 15 1.305 -0.072 -5.446 1.00 11.42 N ATOM 221 CZ ARG A 15 2.197 0.915 -5.547 1.00 51.30 C ATOM 222 NH1 ARG A 15 3.379 0.820 -4.942 1.00 12.31 N ATOM 223 NH2 ARG A 15 1.889 2.014 -6.232 1.00 32.40 N ATOM 0 H ARG A 15 -2.535 -2.182 -7.178 1.00 50.32 H new ATOM 0 HA ARG A 15 0.200 -1.088 -7.096 1.00 72.35 H new ATOM 0 HB2 ARG A 15 -0.779 -3.649 -5.834 1.00 14.13 H new ATOM 0 HB3 ARG A 15 0.886 -3.430 -6.338 1.00 14.13 H new ATOM 0 HG2 ARG A 15 -0.546 -1.618 -4.362 1.00 62.44 H new ATOM 0 HG3 ARG A 15 0.455 -2.981 -3.902 1.00 62.44 H new ATOM 0 HD2 ARG A 15 1.902 -1.122 -3.734 1.00 5.43 H new ATOM 0 HD3 ARG A 15 2.349 -1.878 -5.251 1.00 5.43 H new ATOM 0 HE ARG A 15 0.394 0.061 -5.885 1.00 11.42 H new ATOM 0 HH11 ARG A 15 3.608 -0.011 -4.397 1.00 12.31 H new ATOM 0 HH12 ARG A 15 4.056 1.578 -5.024 1.00 12.31 H new ATOM 0 HH21 ARG A 15 0.975 2.098 -6.676 1.00 32.40 H new ATOM 0 HH22 ARG A 15 2.567 2.772 -6.312 1.00 32.40 H new ATOM 237 N SER A 16 0.676 -3.403 -8.696 1.00 62.15 N ATOM 238 CA SER A 16 0.836 -4.151 -9.940 1.00 24.14 C ATOM 239 C SER A 16 0.973 -3.201 -11.127 1.00 64.21 C ATOM 240 O SER A 16 0.032 -2.996 -11.899 1.00 23.41 O ATOM 241 CB SER A 16 -0.332 -5.126 -10.154 1.00 41.24 C ATOM 242 OG SER A 16 -0.152 -5.906 -11.321 1.00 42.12 O ATOM 0 H SER A 16 1.450 -3.510 -8.040 1.00 62.15 H new ATOM 0 HA SER A 16 1.751 -4.738 -9.864 1.00 24.14 H new ATOM 0 HB2 SER A 16 -0.423 -5.782 -9.288 1.00 41.24 H new ATOM 0 HB3 SER A 16 -1.264 -4.567 -10.230 1.00 41.24 H new ATOM 0 HG SER A 16 0.651 -6.459 -11.224 1.00 42.12 H new ATOM 248 N GLY A 17 2.138 -2.590 -11.234 1.00 71.45 N ATOM 249 CA GLY A 17 2.401 -1.676 -12.317 1.00 42.30 C ATOM 250 C GLY A 17 3.824 -1.178 -12.277 1.00 72.13 C ATOM 251 O GLY A 17 4.622 -1.644 -11.456 1.00 71.43 O ATOM 0 H GLY A 17 2.913 -2.713 -10.582 1.00 71.45 H new ATOM 0 HA2 GLY A 17 2.213 -2.172 -13.269 1.00 42.30 H new ATOM 0 HA3 GLY A 17 1.715 -0.831 -12.258 1.00 42.30 H new ATOM 255 N GLU A 18 4.149 -0.235 -13.144 1.00 41.24 N ATOM 256 CA GLU A 18 5.494 0.312 -13.201 1.00 53.13 C ATOM 257 C GLU A 18 5.752 1.241 -12.018 1.00 43.02 C ATOM 258 O GLU A 18 5.576 2.459 -12.107 1.00 24.43 O ATOM 259 CB GLU A 18 5.718 1.039 -14.527 1.00 44.12 C ATOM 260 CG GLU A 18 5.653 0.116 -15.733 1.00 33.30 C ATOM 261 CD GLU A 18 5.710 0.865 -17.045 1.00 41.14 C ATOM 262 OE1 GLU A 18 6.818 1.251 -17.465 1.00 43.42 O ATOM 263 OE2 GLU A 18 4.649 1.054 -17.671 1.00 50.35 O ATOM 0 H GLU A 18 3.499 0.168 -13.819 1.00 41.24 H new ATOM 0 HA GLU A 18 6.204 -0.512 -13.139 1.00 53.13 H new ATOM 0 HB2 GLU A 18 4.968 1.822 -14.636 1.00 44.12 H new ATOM 0 HB3 GLU A 18 6.691 1.530 -14.505 1.00 44.12 H new ATOM 0 HG2 GLU A 18 6.480 -0.593 -15.688 1.00 33.30 H new ATOM 0 HG3 GLU A 18 4.732 -0.466 -15.691 1.00 33.30 H new ATOM 270 N GLY A 19 6.136 0.644 -10.903 1.00 4.14 N ATOM 271 CA GLY A 19 6.432 1.402 -9.714 1.00 43.45 C ATOM 272 C GLY A 19 7.543 0.763 -8.919 1.00 15.31 C ATOM 273 O GLY A 19 8.715 1.090 -9.100 1.00 5.04 O ATOM 0 H GLY A 19 6.248 -0.365 -10.803 1.00 4.14 H new ATOM 0 HA2 GLY A 19 6.716 2.418 -9.989 1.00 43.45 H new ATOM 0 HA3 GLY A 19 5.537 1.478 -9.096 1.00 43.45 H new ATOM 277 N THR A 20 7.185 -0.169 -8.051 1.00 2.24 N ATOM 278 CA THR A 20 8.177 -0.855 -7.246 1.00 65.02 C ATOM 279 C THR A 20 8.087 -2.362 -7.451 1.00 54.43 C ATOM 280 O THR A 20 8.991 -2.979 -8.017 1.00 70.04 O ATOM 281 CB THR A 20 7.966 -0.533 -5.756 1.00 32.11 C ATOM 282 OG1 THR A 20 7.615 0.850 -5.605 1.00 73.20 O ATOM 283 CG2 THR A 20 9.216 -0.839 -4.948 1.00 22.14 C ATOM 0 H THR A 20 6.223 -0.465 -7.888 1.00 2.24 H new ATOM 0 HA THR A 20 9.163 -0.511 -7.558 1.00 65.02 H new ATOM 0 HB THR A 20 7.157 -1.159 -5.381 1.00 32.11 H new ATOM 0 HG1 THR A 20 7.758 1.124 -4.675 1.00 73.20 H new ATOM 0 HG21 THR A 20 9.038 -0.602 -3.899 1.00 22.14 H new ATOM 0 HG22 THR A 20 9.462 -1.897 -5.044 1.00 22.14 H new ATOM 0 HG23 THR A 20 10.046 -0.238 -5.320 1.00 22.14 H new ATOM 291 N ASN A 21 6.969 -2.937 -7.036 1.00 22.13 N ATOM 292 CA ASN A 21 6.711 -4.356 -7.225 1.00 54.41 C ATOM 293 C ASN A 21 5.324 -4.521 -7.823 1.00 42.11 C ATOM 294 O ASN A 21 4.355 -3.910 -7.361 1.00 71.41 O ATOM 295 CB ASN A 21 6.810 -5.138 -5.903 1.00 21.33 C ATOM 296 CG ASN A 21 8.233 -5.287 -5.371 1.00 41.12 C ATOM 297 OD1 ASN A 21 9.080 -4.413 -5.540 1.00 24.41 O ATOM 298 ND2 ASN A 21 8.507 -6.410 -4.721 1.00 64.33 N ATOM 0 H ASN A 21 6.218 -2.436 -6.561 1.00 22.13 H new ATOM 0 HA ASN A 21 7.468 -4.761 -7.897 1.00 54.41 H new ATOM 0 HB2 ASN A 21 6.203 -4.635 -5.150 1.00 21.33 H new ATOM 0 HB3 ASN A 21 6.382 -6.130 -6.047 1.00 21.33 H new ATOM 0 HD21 ASN A 21 9.442 -6.567 -4.345 1.00 64.33 H new ATOM 0 HD22 ASN A 21 7.782 -7.117 -4.597 1.00 64.33 H new ATOM 305 N TYR A 22 5.224 -5.339 -8.848 1.00 60.13 N ATOM 306 CA TYR A 22 3.997 -5.437 -9.616 1.00 5.10 C ATOM 307 C TYR A 22 3.273 -6.758 -9.376 1.00 15.23 C ATOM 308 O TYR A 22 2.304 -7.072 -10.057 1.00 10.24 O ATOM 309 CB TYR A 22 4.281 -5.224 -11.108 1.00 12.15 C ATOM 310 CG TYR A 22 5.604 -5.785 -11.587 1.00 44.42 C ATOM 311 CD1 TYR A 22 6.762 -5.010 -11.559 1.00 54.33 C ATOM 312 CD2 TYR A 22 5.694 -7.079 -12.082 1.00 73.15 C ATOM 313 CE1 TYR A 22 7.967 -5.516 -12.008 1.00 54.03 C ATOM 314 CE2 TYR A 22 6.895 -7.589 -12.535 1.00 35.55 C ATOM 315 CZ TYR A 22 8.028 -6.804 -12.495 1.00 11.24 C ATOM 316 OH TYR A 22 9.225 -7.305 -12.952 1.00 41.21 O ATOM 0 H TYR A 22 5.977 -5.947 -9.171 1.00 60.13 H new ATOM 0 HA TYR A 22 3.330 -4.646 -9.273 1.00 5.10 H new ATOM 0 HB2 TYR A 22 3.478 -5.681 -11.686 1.00 12.15 H new ATOM 0 HB3 TYR A 22 4.257 -4.155 -11.319 1.00 12.15 H new ATOM 0 HD1 TYR A 22 6.717 -3.999 -11.181 1.00 54.33 H new ATOM 0 HD2 TYR A 22 4.809 -7.698 -12.113 1.00 73.15 H new ATOM 0 HE1 TYR A 22 8.857 -4.905 -11.977 1.00 54.03 H new ATOM 0 HE2 TYR A 22 6.946 -8.597 -12.919 1.00 35.55 H new ATOM 0 HH TYR A 22 9.098 -8.227 -13.260 1.00 41.21 H new ATOM 326 N ARG A 23 3.742 -7.532 -8.409 1.00 62.25 N ATOM 327 CA ARG A 23 3.087 -8.794 -8.078 1.00 74.35 C ATOM 328 C ARG A 23 2.498 -8.771 -6.662 1.00 35.45 C ATOM 329 O ARG A 23 1.848 -9.722 -6.240 1.00 24.21 O ATOM 330 CB ARG A 23 4.077 -9.950 -8.223 1.00 44.20 C ATOM 331 CG ARG A 23 3.438 -11.312 -8.029 1.00 73.34 C ATOM 332 CD ARG A 23 4.448 -12.430 -8.142 1.00 55.23 C ATOM 333 NE ARG A 23 3.849 -13.724 -7.840 1.00 13.41 N ATOM 334 CZ ARG A 23 4.178 -14.856 -8.451 1.00 64.41 C ATOM 335 NH1 ARG A 23 5.077 -14.852 -9.430 1.00 33.53 N ATOM 336 NH2 ARG A 23 3.597 -15.990 -8.092 1.00 10.43 N ATOM 0 H ARG A 23 4.563 -7.315 -7.844 1.00 62.25 H new ATOM 0 HA ARG A 23 2.262 -8.937 -8.775 1.00 74.35 H new ATOM 0 HB2 ARG A 23 4.533 -9.907 -9.212 1.00 44.20 H new ATOM 0 HB3 ARG A 23 4.880 -9.826 -7.496 1.00 44.20 H new ATOM 0 HG2 ARG A 23 2.960 -11.352 -7.050 1.00 73.34 H new ATOM 0 HG3 ARG A 23 2.654 -11.454 -8.773 1.00 73.34 H new ATOM 0 HD2 ARG A 23 4.863 -12.446 -9.150 1.00 55.23 H new ATOM 0 HD3 ARG A 23 5.277 -12.243 -7.459 1.00 55.23 H new ATOM 0 HE ARG A 23 3.133 -13.762 -7.115 1.00 13.41 H new ATOM 0 HH11 ARG A 23 5.517 -13.977 -9.715 1.00 33.53 H new ATOM 0 HH12 ARG A 23 5.327 -15.724 -9.897 1.00 33.53 H new ATOM 0 HH21 ARG A 23 2.899 -15.992 -7.348 1.00 10.43 H new ATOM 0 HH22 ARG A 23 3.847 -16.861 -8.559 1.00 10.43 H new ATOM 350 N ILE A 24 2.702 -7.672 -5.945 1.00 24.31 N ATOM 351 CA ILE A 24 2.320 -7.598 -4.532 1.00 24.45 C ATOM 352 C ILE A 24 0.824 -7.858 -4.325 1.00 65.42 C ATOM 353 O ILE A 24 0.443 -8.766 -3.590 1.00 61.41 O ATOM 354 CB ILE A 24 2.689 -6.230 -3.914 1.00 74.55 C ATOM 355 CG1 ILE A 24 4.188 -5.968 -4.049 1.00 75.33 C ATOM 356 CG2 ILE A 24 2.281 -6.173 -2.451 1.00 75.13 C ATOM 357 CD1 ILE A 24 5.053 -7.024 -3.398 1.00 41.11 C ATOM 0 H ILE A 24 3.128 -6.821 -6.313 1.00 24.31 H new ATOM 0 HA ILE A 24 2.883 -8.382 -4.026 1.00 24.45 H new ATOM 0 HB ILE A 24 2.146 -5.456 -4.457 1.00 74.55 H new ATOM 0 HG12 ILE A 24 4.443 -5.905 -5.107 1.00 75.33 H new ATOM 0 HG13 ILE A 24 4.419 -4.999 -3.607 1.00 75.33 H new ATOM 0 HG21 ILE A 24 2.550 -5.202 -2.036 1.00 75.13 H new ATOM 0 HG22 ILE A 24 1.204 -6.318 -2.368 1.00 75.13 H new ATOM 0 HG23 ILE A 24 2.796 -6.959 -1.899 1.00 75.13 H new ATOM 0 HD11 ILE A 24 6.104 -6.769 -3.536 1.00 41.11 H new ATOM 0 HD12 ILE A 24 4.828 -7.073 -2.333 1.00 41.11 H new ATOM 0 HD13 ILE A 24 4.852 -7.992 -3.856 1.00 41.11 H new ATOM 369 N ILE A 25 -0.019 -7.076 -4.986 1.00 43.11 N ATOM 370 CA ILE A 25 -1.464 -7.247 -4.862 1.00 31.33 C ATOM 371 C ILE A 25 -2.104 -7.332 -6.240 1.00 41.12 C ATOM 372 O ILE A 25 -2.432 -8.416 -6.720 1.00 32.00 O ATOM 373 CB ILE A 25 -2.130 -6.096 -4.064 1.00 63.32 C ATOM 374 CG1 ILE A 25 -1.533 -5.981 -2.666 1.00 15.53 C ATOM 375 CG2 ILE A 25 -3.636 -6.293 -3.981 1.00 20.12 C ATOM 376 CD1 ILE A 25 -0.856 -4.655 -2.406 1.00 1.33 C ATOM 0 H ILE A 25 0.268 -6.322 -5.610 1.00 43.11 H new ATOM 0 HA ILE A 25 -1.625 -8.175 -4.313 1.00 31.33 H new ATOM 0 HB ILE A 25 -1.933 -5.166 -4.598 1.00 63.32 H new ATOM 0 HG12 ILE A 25 -2.323 -6.127 -1.929 1.00 15.53 H new ATOM 0 HG13 ILE A 25 -0.810 -6.784 -2.521 1.00 15.53 H new ATOM 0 HG21 ILE A 25 -4.080 -5.473 -3.417 1.00 20.12 H new ATOM 0 HG22 ILE A 25 -4.057 -6.311 -4.986 1.00 20.12 H new ATOM 0 HG23 ILE A 25 -3.852 -7.237 -3.480 1.00 20.12 H new ATOM 0 HD11 ILE A 25 -0.455 -4.644 -1.393 1.00 1.33 H new ATOM 0 HD12 ILE A 25 -0.044 -4.515 -3.119 1.00 1.33 H new ATOM 0 HD13 ILE A 25 -1.581 -3.848 -2.518 1.00 1.33 H new ATOM 388 N GLY A 26 -2.261 -6.181 -6.874 1.00 72.23 N ATOM 389 CA GLY A 26 -2.883 -6.125 -8.175 1.00 31.44 C ATOM 390 C GLY A 26 -3.627 -4.824 -8.370 1.00 12.25 C ATOM 391 O GLY A 26 -3.501 -3.905 -7.552 1.00 44.34 O ATOM 0 H GLY A 26 -1.965 -5.278 -6.505 1.00 72.23 H new ATOM 0 HA2 GLY A 26 -2.123 -6.232 -8.949 1.00 31.44 H new ATOM 0 HA3 GLY A 26 -3.573 -6.962 -8.288 1.00 31.44 H new ATOM 395 N ALA A 27 -4.384 -4.730 -9.448 1.00 63.21 N ATOM 396 CA ALA A 27 -5.184 -3.550 -9.712 1.00 0.33 C ATOM 397 C ALA A 27 -6.659 -3.918 -9.825 1.00 60.34 C ATOM 398 O ALA A 27 -7.130 -4.318 -10.888 1.00 65.14 O ATOM 399 CB ALA A 27 -4.703 -2.856 -10.981 1.00 0.22 C ATOM 0 H ALA A 27 -4.461 -5.460 -10.156 1.00 63.21 H new ATOM 0 HA ALA A 27 -5.068 -2.859 -8.877 1.00 0.33 H new ATOM 0 HB1 ALA A 27 -5.313 -1.972 -11.166 1.00 0.22 H new ATOM 0 HB2 ALA A 27 -3.661 -2.559 -10.861 1.00 0.22 H new ATOM 0 HB3 ALA A 27 -4.790 -3.540 -11.825 1.00 0.22 H new ATOM 405 N LEU A 28 -7.374 -3.799 -8.717 1.00 13.01 N ATOM 406 CA LEU A 28 -8.802 -4.085 -8.692 1.00 75.02 C ATOM 407 C LEU A 28 -9.579 -2.844 -8.256 1.00 34.32 C ATOM 408 O LEU A 28 -9.868 -2.652 -7.079 1.00 22.22 O ATOM 409 CB LEU A 28 -9.129 -5.289 -7.783 1.00 52.23 C ATOM 410 CG LEU A 28 -8.697 -5.186 -6.311 1.00 60.45 C ATOM 411 CD1 LEU A 28 -9.439 -6.218 -5.476 1.00 25.23 C ATOM 412 CD2 LEU A 28 -7.193 -5.389 -6.164 1.00 41.40 C ATOM 0 H LEU A 28 -6.988 -3.505 -7.820 1.00 13.01 H new ATOM 0 HA LEU A 28 -9.109 -4.355 -9.703 1.00 75.02 H new ATOM 0 HB2 LEU A 28 -10.206 -5.452 -7.810 1.00 52.23 H new ATOM 0 HB3 LEU A 28 -8.662 -6.175 -8.213 1.00 52.23 H new ATOM 0 HG LEU A 28 -8.945 -4.186 -5.956 1.00 60.45 H new ATOM 0 HD11 LEU A 28 -9.126 -6.137 -4.435 1.00 25.23 H new ATOM 0 HD12 LEU A 28 -10.512 -6.040 -5.547 1.00 25.23 H new ATOM 0 HD13 LEU A 28 -9.211 -7.218 -5.846 1.00 25.23 H new ATOM 0 HD21 LEU A 28 -6.916 -5.311 -5.113 1.00 41.40 H new ATOM 0 HD22 LEU A 28 -6.921 -6.376 -6.538 1.00 41.40 H new ATOM 0 HD23 LEU A 28 -6.665 -4.626 -6.736 1.00 41.40 H new ATOM 424 N PRO A 29 -9.894 -1.958 -9.210 1.00 24.02 N ATOM 425 CA PRO A 29 -10.581 -0.691 -8.944 1.00 53.35 C ATOM 426 C PRO A 29 -12.096 -0.840 -8.861 1.00 34.03 C ATOM 427 O PRO A 29 -12.818 0.152 -8.726 1.00 43.13 O ATOM 428 CB PRO A 29 -10.215 0.173 -10.165 1.00 64.52 C ATOM 429 CG PRO A 29 -9.293 -0.664 -10.998 1.00 62.35 C ATOM 430 CD PRO A 29 -9.584 -2.086 -10.630 1.00 32.05 C ATOM 0 HA PRO A 29 -10.281 -0.272 -7.983 1.00 53.35 H new ATOM 0 HB2 PRO A 29 -11.106 0.451 -10.728 1.00 64.52 H new ATOM 0 HB3 PRO A 29 -9.730 1.099 -9.857 1.00 64.52 H new ATOM 0 HG2 PRO A 29 -9.463 -0.493 -12.061 1.00 62.35 H new ATOM 0 HG3 PRO A 29 -8.251 -0.414 -10.798 1.00 62.35 H new ATOM 0 HD2 PRO A 29 -10.420 -2.494 -11.198 1.00 32.05 H new ATOM 0 HD3 PRO A 29 -8.729 -2.739 -10.807 1.00 32.05 H new ATOM 438 N GLN A 30 -12.575 -2.075 -8.930 1.00 31.14 N ATOM 439 CA GLN A 30 -14.008 -2.340 -8.998 1.00 3.14 C ATOM 440 C GLN A 30 -14.658 -2.289 -7.611 1.00 43.22 C ATOM 441 O GLN A 30 -15.237 -3.264 -7.134 1.00 62.53 O ATOM 442 CB GLN A 30 -14.265 -3.689 -9.687 1.00 23.33 C ATOM 443 CG GLN A 30 -13.586 -4.875 -9.017 1.00 74.43 C ATOM 444 CD GLN A 30 -13.701 -6.148 -9.833 1.00 31.14 C ATOM 445 OE1 GLN A 30 -13.782 -7.245 -9.287 1.00 32.03 O ATOM 446 NE2 GLN A 30 -13.700 -6.009 -11.149 1.00 53.34 N ATOM 0 H GLN A 30 -11.992 -2.912 -8.940 1.00 31.14 H new ATOM 0 HA GLN A 30 -14.471 -1.554 -9.594 1.00 3.14 H new ATOM 0 HB2 GLN A 30 -15.340 -3.870 -9.716 1.00 23.33 H new ATOM 0 HB3 GLN A 30 -13.924 -3.626 -10.720 1.00 23.33 H new ATOM 0 HG2 GLN A 30 -12.533 -4.644 -8.857 1.00 74.43 H new ATOM 0 HG3 GLN A 30 -14.030 -5.036 -8.034 1.00 74.43 H new ATOM 0 HE21 GLN A 30 -13.631 -5.080 -11.564 1.00 53.34 H new ATOM 0 HE22 GLN A 30 -13.768 -6.831 -11.749 1.00 53.34 H new ATOM 455 N GLY A 31 -14.545 -1.137 -6.962 1.00 25.34 N ATOM 456 CA GLY A 31 -15.207 -0.926 -5.689 1.00 11.31 C ATOM 457 C GLY A 31 -14.324 -1.221 -4.495 1.00 72.13 C ATOM 458 O GLY A 31 -14.442 -0.571 -3.459 1.00 23.21 O ATOM 0 H GLY A 31 -14.003 -0.340 -7.297 1.00 25.34 H new ATOM 0 HA2 GLY A 31 -15.548 0.108 -5.632 1.00 11.31 H new ATOM 0 HA3 GLY A 31 -16.094 -1.558 -5.640 1.00 11.31 H new ATOM 462 N GLN A 32 -13.444 -2.200 -4.625 1.00 35.45 N ATOM 463 CA GLN A 32 -12.585 -2.596 -3.517 1.00 34.34 C ATOM 464 C GLN A 32 -11.128 -2.274 -3.834 1.00 42.12 C ATOM 465 O GLN A 32 -10.847 -1.475 -4.734 1.00 4.11 O ATOM 466 CB GLN A 32 -12.749 -4.092 -3.220 1.00 44.13 C ATOM 467 CG GLN A 32 -14.194 -4.506 -2.975 1.00 40.00 C ATOM 468 CD GLN A 32 -14.326 -5.939 -2.492 1.00 74.54 C ATOM 469 OE1 GLN A 32 -13.501 -6.800 -2.803 1.00 71.30 O ATOM 470 NE2 GLN A 32 -15.379 -6.208 -1.736 1.00 62.40 N ATOM 0 H GLN A 32 -13.304 -2.734 -5.482 1.00 35.45 H new ATOM 0 HA GLN A 32 -12.881 -2.033 -2.631 1.00 34.34 H new ATOM 0 HB2 GLN A 32 -12.351 -4.666 -4.057 1.00 44.13 H new ATOM 0 HB3 GLN A 32 -12.152 -4.349 -2.345 1.00 44.13 H new ATOM 0 HG2 GLN A 32 -14.638 -3.837 -2.237 1.00 40.00 H new ATOM 0 HG3 GLN A 32 -14.762 -4.385 -3.897 1.00 40.00 H new ATOM 0 HE21 GLN A 32 -16.040 -5.468 -1.500 1.00 62.40 H new ATOM 0 HE22 GLN A 32 -15.529 -7.155 -1.389 1.00 62.40 H new ATOM 479 N LYS A 33 -10.216 -2.858 -3.057 1.00 2.31 N ATOM 480 CA LYS A 33 -8.780 -2.737 -3.292 1.00 42.02 C ATOM 481 C LYS A 33 -8.003 -3.606 -2.301 1.00 24.43 C ATOM 482 O LYS A 33 -7.666 -4.747 -2.607 1.00 42.24 O ATOM 483 CB LYS A 33 -8.322 -1.266 -3.232 1.00 5.13 C ATOM 484 CG LYS A 33 -8.885 -0.470 -2.062 1.00 20.21 C ATOM 485 CD LYS A 33 -8.585 1.017 -2.202 1.00 75.21 C ATOM 486 CE LYS A 33 -9.555 1.726 -3.147 1.00 73.24 C ATOM 487 NZ LYS A 33 -9.493 1.215 -4.547 1.00 65.31 N ATOM 0 H LYS A 33 -10.454 -3.429 -2.246 1.00 2.31 H new ATOM 0 HA LYS A 33 -8.568 -3.097 -4.299 1.00 42.02 H new ATOM 0 HB2 LYS A 33 -7.234 -1.241 -3.180 1.00 5.13 H new ATOM 0 HB3 LYS A 33 -8.609 -0.773 -4.161 1.00 5.13 H new ATOM 0 HG2 LYS A 33 -9.963 -0.621 -2.003 1.00 20.21 H new ATOM 0 HG3 LYS A 33 -8.460 -0.842 -1.130 1.00 20.21 H new ATOM 0 HD2 LYS A 33 -8.631 1.487 -1.220 1.00 75.21 H new ATOM 0 HD3 LYS A 33 -7.567 1.145 -2.569 1.00 75.21 H new ATOM 0 HE2 LYS A 33 -10.571 1.609 -2.769 1.00 73.24 H new ATOM 0 HE3 LYS A 33 -9.336 2.794 -3.147 1.00 73.24 H new ATOM 0 HZ1 LYS A 33 -9.751 1.977 -5.206 1.00 65.31 H new ATOM 0 HZ2 LYS A 33 -8.528 0.889 -4.755 1.00 65.31 H new ATOM 0 HZ3 LYS A 33 -10.157 0.422 -4.657 1.00 65.31 H new ATOM 501 N VAL A 34 -7.736 -3.074 -1.112 1.00 41.01 N ATOM 502 CA VAL A 34 -7.087 -3.839 -0.053 1.00 24.32 C ATOM 503 C VAL A 34 -7.698 -3.461 1.293 1.00 33.21 C ATOM 504 O VAL A 34 -8.642 -4.093 1.747 1.00 0.41 O ATOM 505 CB VAL A 34 -5.553 -3.602 0.016 1.00 70.31 C ATOM 506 CG1 VAL A 34 -4.910 -4.527 1.045 1.00 23.03 C ATOM 507 CG2 VAL A 34 -4.894 -3.785 -1.342 1.00 73.33 C ATOM 0 H VAL A 34 -7.960 -2.112 -0.857 1.00 41.01 H new ATOM 0 HA VAL A 34 -7.249 -4.892 -0.282 1.00 24.32 H new ATOM 0 HB VAL A 34 -5.397 -2.568 0.325 1.00 70.31 H new ATOM 0 HG11 VAL A 34 -3.836 -4.345 1.077 1.00 23.03 H new ATOM 0 HG12 VAL A 34 -5.341 -4.334 2.027 1.00 23.03 H new ATOM 0 HG13 VAL A 34 -5.094 -5.565 0.766 1.00 23.03 H new ATOM 0 HG21 VAL A 34 -3.822 -3.611 -1.253 1.00 73.33 H new ATOM 0 HG22 VAL A 34 -5.068 -4.801 -1.697 1.00 73.33 H new ATOM 0 HG23 VAL A 34 -5.319 -3.075 -2.051 1.00 73.33 H new ATOM 517 N GLN A 35 -7.170 -2.392 1.889 1.00 13.22 N ATOM 518 CA GLN A 35 -7.655 -1.875 3.171 1.00 35.55 C ATOM 519 C GLN A 35 -7.268 -0.409 3.325 1.00 72.15 C ATOM 520 O GLN A 35 -8.051 0.389 3.838 1.00 2.33 O ATOM 521 CB GLN A 35 -7.087 -2.673 4.356 1.00 63.40 C ATOM 522 CG GLN A 35 -7.819 -3.974 4.650 1.00 13.22 C ATOM 523 CD GLN A 35 -9.286 -3.761 4.981 1.00 14.25 C ATOM 524 OE1 GLN A 35 -10.146 -3.789 4.103 1.00 53.11 O ATOM 525 NE2 GLN A 35 -9.579 -3.528 6.248 1.00 45.30 N ATOM 0 H GLN A 35 -6.394 -1.859 1.497 1.00 13.22 H new ATOM 0 HA GLN A 35 -8.740 -1.977 3.175 1.00 35.55 H new ATOM 0 HB2 GLN A 35 -6.039 -2.897 4.157 1.00 63.40 H new ATOM 0 HB3 GLN A 35 -7.115 -2.046 5.247 1.00 63.40 H new ATOM 0 HG2 GLN A 35 -7.738 -4.634 3.787 1.00 13.22 H new ATOM 0 HG3 GLN A 35 -7.332 -4.479 5.484 1.00 13.22 H new ATOM 0 HE21 GLN A 35 -8.838 -3.513 6.948 1.00 45.30 H new ATOM 0 HE22 GLN A 35 -10.547 -3.364 6.526 1.00 45.30 H new ATOM 534 N VAL A 36 -6.043 -0.086 2.877 1.00 34.44 N ATOM 535 CA VAL A 36 -5.468 1.273 2.926 1.00 34.13 C ATOM 536 C VAL A 36 -5.710 1.966 4.273 1.00 22.40 C ATOM 537 O VAL A 36 -6.739 2.605 4.503 1.00 62.14 O ATOM 538 CB VAL A 36 -5.901 2.173 1.725 1.00 70.34 C ATOM 539 CG1 VAL A 36 -7.414 2.321 1.608 1.00 51.13 C ATOM 540 CG2 VAL A 36 -5.232 3.540 1.819 1.00 34.52 C ATOM 0 H VAL A 36 -5.412 -0.772 2.463 1.00 34.44 H new ATOM 0 HA VAL A 36 -4.392 1.133 2.827 1.00 34.13 H new ATOM 0 HB VAL A 36 -5.568 1.670 0.817 1.00 70.34 H new ATOM 0 HG11 VAL A 36 -7.653 2.957 0.756 1.00 51.13 H new ATOM 0 HG12 VAL A 36 -7.866 1.339 1.466 1.00 51.13 H new ATOM 0 HG13 VAL A 36 -7.807 2.773 2.519 1.00 51.13 H new ATOM 0 HG21 VAL A 36 -5.543 4.156 0.975 1.00 34.52 H new ATOM 0 HG22 VAL A 36 -5.525 4.025 2.750 1.00 34.52 H new ATOM 0 HG23 VAL A 36 -4.149 3.417 1.799 1.00 34.52 H new ATOM 550 N ILE A 37 -4.739 1.825 5.166 1.00 62.53 N ATOM 551 CA ILE A 37 -4.865 2.349 6.519 1.00 34.13 C ATOM 552 C ILE A 37 -4.493 3.827 6.577 1.00 24.51 C ATOM 553 O ILE A 37 -5.302 4.665 6.974 1.00 73.43 O ATOM 554 CB ILE A 37 -3.965 1.569 7.503 1.00 12.45 C ATOM 555 CG1 ILE A 37 -4.243 0.072 7.401 1.00 73.12 C ATOM 556 CG2 ILE A 37 -4.190 2.049 8.931 1.00 4.30 C ATOM 557 CD1 ILE A 37 -2.992 -0.773 7.394 1.00 43.22 C ATOM 0 H ILE A 37 -3.855 1.352 4.977 1.00 62.53 H new ATOM 0 HA ILE A 37 -5.909 2.230 6.809 1.00 34.13 H new ATOM 0 HB ILE A 37 -2.924 1.753 7.236 1.00 12.45 H new ATOM 0 HG12 ILE A 37 -4.872 -0.231 8.238 1.00 73.12 H new ATOM 0 HG13 ILE A 37 -4.809 -0.123 6.490 1.00 73.12 H new ATOM 0 HG21 ILE A 37 -3.547 1.488 9.609 1.00 4.30 H new ATOM 0 HG22 ILE A 37 -3.951 3.110 9.000 1.00 4.30 H new ATOM 0 HG23 ILE A 37 -5.233 1.893 9.207 1.00 4.30 H new ATOM 0 HD11 ILE A 37 -3.264 -1.826 7.320 1.00 43.22 H new ATOM 0 HD12 ILE A 37 -2.372 -0.498 6.541 1.00 43.22 H new ATOM 0 HD13 ILE A 37 -2.435 -0.607 8.316 1.00 43.22 H new ATOM 569 N SER A 38 -3.278 4.141 6.147 1.00 51.11 N ATOM 570 CA SER A 38 -2.773 5.506 6.200 1.00 73.43 C ATOM 571 C SER A 38 -1.508 5.618 5.368 1.00 12.34 C ATOM 572 O SER A 38 -0.942 4.604 4.947 1.00 34.43 O ATOM 573 CB SER A 38 -2.493 5.914 7.651 1.00 44.40 C ATOM 574 OG SER A 38 -2.179 7.293 7.752 1.00 31.22 O ATOM 0 H SER A 38 -2.622 3.465 5.756 1.00 51.11 H new ATOM 0 HA SER A 38 -3.527 6.179 5.792 1.00 73.43 H new ATOM 0 HB2 SER A 38 -3.364 5.692 8.267 1.00 44.40 H new ATOM 0 HB3 SER A 38 -1.666 5.322 8.043 1.00 44.40 H new ATOM 0 HG SER A 38 -2.008 7.522 8.689 1.00 31.22 H new ATOM 580 N GLU A 39 -1.061 6.844 5.142 1.00 12.34 N ATOM 581 CA GLU A 39 0.088 7.085 4.290 1.00 60.25 C ATOM 582 C GLU A 39 1.172 7.859 5.025 1.00 72.10 C ATOM 583 O GLU A 39 0.921 8.487 6.053 1.00 33.55 O ATOM 584 CB GLU A 39 -0.317 7.851 3.029 1.00 34.22 C ATOM 585 CG GLU A 39 -0.927 9.216 3.292 1.00 50.23 C ATOM 586 CD GLU A 39 -0.921 10.093 2.060 1.00 75.54 C ATOM 587 OE1 GLU A 39 -1.697 9.817 1.125 1.00 11.51 O ATOM 588 OE2 GLU A 39 -0.137 11.066 2.017 1.00 74.33 O ATOM 0 H GLU A 39 -1.478 7.686 5.538 1.00 12.34 H new ATOM 0 HA GLU A 39 0.486 6.111 4.005 1.00 60.25 H new ATOM 0 HB2 GLU A 39 0.562 7.975 2.396 1.00 34.22 H new ATOM 0 HB3 GLU A 39 -1.032 7.249 2.467 1.00 34.22 H new ATOM 0 HG2 GLU A 39 -1.952 9.092 3.643 1.00 50.23 H new ATOM 0 HG3 GLU A 39 -0.374 9.711 4.091 1.00 50.23 H new ATOM 595 N ASN A 40 2.374 7.802 4.479 1.00 63.04 N ATOM 596 CA ASN A 40 3.503 8.544 5.008 1.00 14.24 C ATOM 597 C ASN A 40 4.494 8.823 3.893 1.00 13.15 C ATOM 598 O ASN A 40 5.042 7.895 3.296 1.00 11.34 O ATOM 599 CB ASN A 40 4.191 7.767 6.136 1.00 53.51 C ATOM 600 CG ASN A 40 5.318 8.552 6.783 1.00 44.44 C ATOM 601 OD1 ASN A 40 6.469 8.484 6.350 1.00 65.03 O ATOM 602 ND2 ASN A 40 4.998 9.283 7.839 1.00 4.23 N ATOM 0 H ASN A 40 2.594 7.240 3.657 1.00 63.04 H new ATOM 0 HA ASN A 40 3.138 9.486 5.418 1.00 14.24 H new ATOM 0 HB2 ASN A 40 3.453 7.506 6.895 1.00 53.51 H new ATOM 0 HB3 ASN A 40 4.586 6.832 5.740 1.00 53.51 H new ATOM 0 HD21 ASN A 40 5.717 9.817 8.326 1.00 4.23 H new ATOM 0 HD22 ASN A 40 4.032 9.312 8.165 1.00 4.23 H new ATOM 609 N SER A 41 4.663 10.101 3.585 1.00 34.31 N ATOM 610 CA SER A 41 5.662 10.552 2.625 1.00 22.24 C ATOM 611 C SER A 41 5.305 10.114 1.196 1.00 43.45 C ATOM 612 O SER A 41 6.177 9.981 0.337 1.00 41.15 O ATOM 613 CB SER A 41 7.049 10.038 3.037 1.00 32.35 C ATOM 614 OG SER A 41 8.082 10.634 2.266 1.00 15.44 O ATOM 0 H SER A 41 4.111 10.855 3.994 1.00 34.31 H new ATOM 0 HA SER A 41 5.679 11.642 2.628 1.00 22.24 H new ATOM 0 HB2 SER A 41 7.216 10.249 4.093 1.00 32.35 H new ATOM 0 HB3 SER A 41 7.085 8.955 2.918 1.00 32.35 H new ATOM 0 HG SER A 41 7.832 10.621 1.319 1.00 15.44 H new ATOM 620 N GLY A 42 4.019 9.918 0.936 1.00 73.25 N ATOM 621 CA GLY A 42 3.583 9.614 -0.416 1.00 51.43 C ATOM 622 C GLY A 42 3.113 8.184 -0.594 1.00 63.12 C ATOM 623 O GLY A 42 2.373 7.882 -1.533 1.00 43.50 O ATOM 0 H GLY A 42 3.273 9.963 1.631 1.00 73.25 H new ATOM 0 HA2 GLY A 42 2.773 10.291 -0.689 1.00 51.43 H new ATOM 0 HA3 GLY A 42 4.405 9.806 -1.106 1.00 51.43 H new ATOM 627 N TRP A 43 3.551 7.297 0.284 1.00 70.00 N ATOM 628 CA TRP A 43 3.131 5.903 0.218 1.00 12.21 C ATOM 629 C TRP A 43 2.207 5.560 1.371 1.00 1.03 C ATOM 630 O TRP A 43 2.367 6.068 2.475 1.00 73.23 O ATOM 631 CB TRP A 43 4.336 4.964 0.231 1.00 21.44 C ATOM 632 CG TRP A 43 4.970 4.775 -1.112 1.00 60.11 C ATOM 633 CD1 TRP A 43 4.666 5.424 -2.274 1.00 13.53 C ATOM 634 CD2 TRP A 43 6.019 3.859 -1.428 1.00 34.14 C ATOM 635 NE1 TRP A 43 5.473 4.971 -3.290 1.00 34.24 N ATOM 636 CE2 TRP A 43 6.315 4.011 -2.793 1.00 50.42 C ATOM 637 CE3 TRP A 43 6.739 2.928 -0.680 1.00 70.23 C ATOM 638 CZ2 TRP A 43 7.304 3.263 -3.428 1.00 64.53 C ATOM 639 CZ3 TRP A 43 7.720 2.185 -1.308 1.00 24.14 C ATOM 640 CH2 TRP A 43 7.998 2.359 -2.669 1.00 51.50 C ATOM 0 H TRP A 43 4.193 7.513 1.047 1.00 70.00 H new ATOM 0 HA TRP A 43 2.592 5.770 -0.720 1.00 12.21 H new ATOM 0 HB2 TRP A 43 5.082 5.355 0.923 1.00 21.44 H new ATOM 0 HB3 TRP A 43 4.024 3.993 0.615 1.00 21.44 H new ATOM 0 HD1 TRP A 43 3.904 6.182 -2.379 1.00 13.53 H new ATOM 0 HE1 TRP A 43 5.449 5.296 -4.256 1.00 34.24 H new ATOM 0 HE3 TRP A 43 6.533 2.790 0.371 1.00 70.23 H new ATOM 0 HZ2 TRP A 43 7.515 3.391 -4.479 1.00 64.53 H new ATOM 0 HZ3 TRP A 43 8.281 1.458 -0.740 1.00 24.14 H new ATOM 0 HH2 TRP A 43 8.776 1.768 -3.130 1.00 51.50 H new ATOM 651 N SER A 44 1.244 4.694 1.106 1.00 62.10 N ATOM 652 CA SER A 44 0.306 4.252 2.129 1.00 34.32 C ATOM 653 C SER A 44 0.582 2.800 2.486 1.00 4.42 C ATOM 654 O SER A 44 0.743 1.959 1.597 1.00 22.14 O ATOM 655 CB SER A 44 -1.135 4.401 1.644 1.00 0.02 C ATOM 656 OG SER A 44 -1.365 5.696 1.120 1.00 71.11 O ATOM 0 H SER A 44 1.089 4.280 0.187 1.00 62.10 H new ATOM 0 HA SER A 44 0.439 4.876 3.013 1.00 34.32 H new ATOM 0 HB2 SER A 44 -1.344 3.653 0.879 1.00 0.02 H new ATOM 0 HB3 SER A 44 -1.821 4.212 2.470 1.00 0.02 H new ATOM 0 HG SER A 44 -2.294 5.765 0.815 1.00 71.11 H new ATOM 662 N LYS A 45 0.654 2.510 3.774 1.00 74.24 N ATOM 663 CA LYS A 45 0.958 1.184 4.238 1.00 33.41 C ATOM 664 C LYS A 45 -0.294 0.320 4.292 1.00 24.23 C ATOM 665 O LYS A 45 -1.334 0.744 4.804 1.00 21.22 O ATOM 666 CB LYS A 45 1.568 1.284 5.620 1.00 25.10 C ATOM 667 CG LYS A 45 2.185 -0.003 6.092 1.00 75.23 C ATOM 668 CD LYS A 45 2.407 0.017 7.581 1.00 14.10 C ATOM 669 CE LYS A 45 1.091 -0.016 8.336 1.00 42.43 C ATOM 670 NZ LYS A 45 1.266 -0.499 9.731 1.00 21.22 N ATOM 0 H LYS A 45 0.503 3.191 4.518 1.00 74.24 H new ATOM 0 HA LYS A 45 1.658 0.717 3.545 1.00 33.41 H new ATOM 0 HB2 LYS A 45 2.329 2.064 5.618 1.00 25.10 H new ATOM 0 HB3 LYS A 45 0.798 1.591 6.328 1.00 25.10 H new ATOM 0 HG2 LYS A 45 1.537 -0.839 5.829 1.00 75.23 H new ATOM 0 HG3 LYS A 45 3.135 -0.163 5.582 1.00 75.23 H new ATOM 0 HD2 LYS A 45 3.017 -0.839 7.871 1.00 14.10 H new ATOM 0 HD3 LYS A 45 2.964 0.913 7.856 1.00 14.10 H new ATOM 0 HE2 LYS A 45 0.655 0.983 8.349 1.00 42.43 H new ATOM 0 HE3 LYS A 45 0.388 -0.664 7.813 1.00 42.43 H new ATOM 0 HZ1 LYS A 45 0.345 -0.507 10.214 1.00 21.22 H new ATOM 0 HZ2 LYS A 45 1.659 -1.462 9.718 1.00 21.22 H new ATOM 0 HZ3 LYS A 45 1.917 0.134 10.238 1.00 21.22 H new ATOM 684 N ILE A 46 -0.194 -0.887 3.753 1.00 21.41 N ATOM 685 CA ILE A 46 -1.264 -1.867 3.860 1.00 44.21 C ATOM 686 C ILE A 46 -0.678 -3.249 4.122 1.00 24.51 C ATOM 687 O ILE A 46 0.402 -3.575 3.629 1.00 64.22 O ATOM 688 CB ILE A 46 -2.178 -1.946 2.600 1.00 23.23 C ATOM 689 CG1 ILE A 46 -1.439 -2.517 1.377 1.00 45.31 C ATOM 690 CG2 ILE A 46 -2.762 -0.584 2.269 1.00 62.33 C ATOM 691 CD1 ILE A 46 -0.473 -1.552 0.721 1.00 32.01 C ATOM 0 H ILE A 46 0.622 -1.212 3.235 1.00 21.41 H new ATOM 0 HA ILE A 46 -1.888 -1.535 4.690 1.00 44.21 H new ATOM 0 HB ILE A 46 -2.989 -2.632 2.843 1.00 23.23 H new ATOM 0 HG12 ILE A 46 -0.891 -3.408 1.683 1.00 45.31 H new ATOM 0 HG13 ILE A 46 -2.175 -2.833 0.638 1.00 45.31 H new ATOM 0 HG21 ILE A 46 -3.396 -0.665 1.386 1.00 62.33 H new ATOM 0 HG22 ILE A 46 -3.356 -0.228 3.111 1.00 62.33 H new ATOM 0 HG23 ILE A 46 -1.954 0.120 2.072 1.00 62.33 H new ATOM 0 HD11 ILE A 46 0.003 -2.037 -0.131 1.00 32.01 H new ATOM 0 HD12 ILE A 46 -1.015 -0.670 0.380 1.00 32.01 H new ATOM 0 HD13 ILE A 46 0.289 -1.254 1.441 1.00 32.01 H new ATOM 703 N ASN A 47 -1.369 -4.046 4.914 1.00 35.11 N ATOM 704 CA ASN A 47 -0.975 -5.432 5.104 1.00 71.12 C ATOM 705 C ASN A 47 -1.805 -6.322 4.195 1.00 41.42 C ATOM 706 O ASN A 47 -3.022 -6.422 4.351 1.00 3.21 O ATOM 707 CB ASN A 47 -1.126 -5.868 6.570 1.00 41.33 C ATOM 708 CG ASN A 47 -0.033 -5.311 7.468 1.00 34.01 C ATOM 709 OD1 ASN A 47 0.475 -4.213 7.249 1.00 33.45 O ATOM 710 ND2 ASN A 47 0.338 -6.068 8.490 1.00 44.42 N ATOM 0 H ASN A 47 -2.200 -3.762 5.433 1.00 35.11 H new ATOM 0 HA ASN A 47 0.079 -5.529 4.845 1.00 71.12 H new ATOM 0 HB2 ASN A 47 -2.097 -5.542 6.943 1.00 41.33 H new ATOM 0 HB3 ASN A 47 -1.113 -6.957 6.623 1.00 41.33 H new ATOM 0 HD21 ASN A 47 1.067 -5.745 9.126 1.00 44.42 H new ATOM 0 HD22 ASN A 47 -0.106 -6.974 8.641 1.00 44.42 H new ATOM 717 N TYR A 48 -1.149 -6.949 3.236 1.00 3.21 N ATOM 718 CA TYR A 48 -1.835 -7.786 2.269 1.00 4.52 C ATOM 719 C TYR A 48 -1.471 -9.242 2.507 1.00 44.04 C ATOM 720 O TYR A 48 -0.341 -9.657 2.260 1.00 34.21 O ATOM 721 CB TYR A 48 -1.476 -7.365 0.839 1.00 21.33 C ATOM 722 CG TYR A 48 -2.294 -8.060 -0.227 1.00 74.21 C ATOM 723 CD1 TYR A 48 -3.642 -7.772 -0.396 1.00 42.43 C ATOM 724 CD2 TYR A 48 -1.718 -9.004 -1.063 1.00 11.22 C ATOM 725 CE1 TYR A 48 -4.392 -8.407 -1.366 1.00 2.00 C ATOM 726 CE2 TYR A 48 -2.459 -9.646 -2.034 1.00 23.14 C ATOM 727 CZ TYR A 48 -3.796 -9.344 -2.183 1.00 12.34 C ATOM 728 OH TYR A 48 -4.540 -9.982 -3.150 1.00 14.11 O ATOM 0 H TYR A 48 -0.139 -6.894 3.106 1.00 3.21 H new ATOM 0 HA TYR A 48 -2.911 -7.664 2.394 1.00 4.52 H new ATOM 0 HB2 TYR A 48 -1.612 -6.288 0.743 1.00 21.33 H new ATOM 0 HB3 TYR A 48 -0.420 -7.570 0.664 1.00 21.33 H new ATOM 0 HD1 TYR A 48 -4.112 -7.039 0.242 1.00 42.43 H new ATOM 0 HD2 TYR A 48 -0.670 -9.241 -0.952 1.00 11.22 H new ATOM 0 HE1 TYR A 48 -5.439 -8.171 -1.484 1.00 2.00 H new ATOM 0 HE2 TYR A 48 -1.994 -10.381 -2.674 1.00 23.14 H new ATOM 0 HH TYR A 48 -3.970 -10.611 -3.639 1.00 14.11 H new ATOM 738 N ASN A 49 -2.431 -9.994 3.035 1.00 3.45 N ATOM 739 CA ASN A 49 -2.246 -11.415 3.327 1.00 42.43 C ATOM 740 C ASN A 49 -1.139 -11.613 4.358 1.00 15.24 C ATOM 741 O ASN A 49 -0.405 -12.600 4.320 1.00 1.02 O ATOM 742 CB ASN A 49 -1.946 -12.215 2.051 1.00 63.05 C ATOM 743 CG ASN A 49 -3.082 -12.168 1.043 1.00 61.33 C ATOM 744 OD1 ASN A 49 -2.852 -12.193 -0.165 1.00 41.21 O ATOM 745 ND2 ASN A 49 -4.314 -12.094 1.525 1.00 24.33 N ATOM 0 H ASN A 49 -3.357 -9.639 3.273 1.00 3.45 H new ATOM 0 HA ASN A 49 -3.180 -11.792 3.744 1.00 42.43 H new ATOM 0 HB2 ASN A 49 -1.040 -11.825 1.588 1.00 63.05 H new ATOM 0 HB3 ASN A 49 -1.746 -13.253 2.317 1.00 63.05 H new ATOM 0 HD21 ASN A 49 -5.110 -12.056 0.888 1.00 24.33 H new ATOM 0 HD22 ASN A 49 -4.467 -12.075 2.533 1.00 24.33 H new ATOM 752 N GLY A 50 -1.045 -10.672 5.288 1.00 15.20 N ATOM 753 CA GLY A 50 -0.110 -10.794 6.391 1.00 4.14 C ATOM 754 C GLY A 50 1.220 -10.103 6.152 1.00 52.24 C ATOM 755 O GLY A 50 1.950 -9.833 7.105 1.00 4.13 O ATOM 0 H GLY A 50 -1.604 -9.819 5.298 1.00 15.20 H new ATOM 0 HA2 GLY A 50 -0.567 -10.379 7.289 1.00 4.14 H new ATOM 0 HA3 GLY A 50 0.071 -11.851 6.585 1.00 4.14 H new ATOM 759 N GLN A 51 1.546 -9.793 4.904 1.00 65.32 N ATOM 760 CA GLN A 51 2.810 -9.123 4.617 1.00 14.33 C ATOM 761 C GLN A 51 2.612 -7.618 4.513 1.00 4.45 C ATOM 762 O GLN A 51 1.516 -7.143 4.212 1.00 12.51 O ATOM 763 CB GLN A 51 3.461 -9.660 3.337 1.00 31.33 C ATOM 764 CG GLN A 51 2.736 -9.278 2.055 1.00 15.13 C ATOM 765 CD GLN A 51 3.507 -9.675 0.811 1.00 74.40 C ATOM 766 OE1 GLN A 51 3.433 -9.008 -0.221 1.00 52.31 O ATOM 767 NE2 GLN A 51 4.253 -10.764 0.900 1.00 73.45 N ATOM 0 H GLN A 51 0.967 -9.989 4.088 1.00 65.32 H new ATOM 0 HA GLN A 51 3.483 -9.334 5.448 1.00 14.33 H new ATOM 0 HB2 GLN A 51 4.486 -9.293 3.284 1.00 31.33 H new ATOM 0 HB3 GLN A 51 3.515 -10.747 3.400 1.00 31.33 H new ATOM 0 HG2 GLN A 51 1.756 -9.756 2.039 1.00 15.13 H new ATOM 0 HG3 GLN A 51 2.566 -8.201 2.045 1.00 15.13 H new ATOM 0 HE21 GLN A 51 4.287 -11.289 1.774 1.00 73.45 H new ATOM 0 HE22 GLN A 51 4.794 -11.079 0.095 1.00 73.45 H new ATOM 776 N THR A 52 3.675 -6.877 4.768 1.00 2.01 N ATOM 777 CA THR A 52 3.623 -5.426 4.718 1.00 74.45 C ATOM 778 C THR A 52 3.897 -4.922 3.302 1.00 54.43 C ATOM 779 O THR A 52 4.924 -5.249 2.699 1.00 13.30 O ATOM 780 CB THR A 52 4.645 -4.804 5.691 1.00 12.41 C ATOM 781 OG1 THR A 52 4.529 -5.423 6.981 1.00 24.24 O ATOM 782 CG2 THR A 52 4.426 -3.304 5.830 1.00 3.42 C ATOM 0 H THR A 52 4.589 -7.258 5.013 1.00 2.01 H new ATOM 0 HA THR A 52 2.620 -5.123 5.017 1.00 74.45 H new ATOM 0 HB THR A 52 5.643 -4.974 5.287 1.00 12.41 H new ATOM 0 HG1 THR A 52 5.182 -5.025 7.595 1.00 24.24 H new ATOM 0 HG21 THR A 52 5.160 -2.892 6.522 1.00 3.42 H new ATOM 0 HG22 THR A 52 4.538 -2.828 4.856 1.00 3.42 H new ATOM 0 HG23 THR A 52 3.422 -3.117 6.212 1.00 3.42 H new ATOM 790 N GLY A 53 2.967 -4.146 2.769 1.00 35.15 N ATOM 791 CA GLY A 53 3.142 -3.559 1.459 1.00 50.25 C ATOM 792 C GLY A 53 2.841 -2.076 1.467 1.00 13.44 C ATOM 793 O GLY A 53 2.320 -1.551 2.455 1.00 63.12 O ATOM 0 H GLY A 53 2.086 -3.911 3.226 1.00 35.15 H new ATOM 0 HA2 GLY A 53 4.166 -3.721 1.121 1.00 50.25 H new ATOM 0 HA3 GLY A 53 2.488 -4.060 0.745 1.00 50.25 H new ATOM 797 N TYR A 54 3.168 -1.392 0.380 1.00 13.44 N ATOM 798 CA TYR A 54 2.923 0.040 0.275 1.00 22.52 C ATOM 799 C TYR A 54 2.351 0.392 -1.090 1.00 63.34 C ATOM 800 O TYR A 54 2.731 -0.197 -2.105 1.00 75.24 O ATOM 801 CB TYR A 54 4.213 0.830 0.506 1.00 63.53 C ATOM 802 CG TYR A 54 4.797 0.666 1.887 1.00 55.12 C ATOM 803 CD1 TYR A 54 4.321 1.415 2.954 1.00 50.25 C ATOM 804 CD2 TYR A 54 5.827 -0.233 2.126 1.00 31.11 C ATOM 805 CE1 TYR A 54 4.854 1.274 4.221 1.00 22.30 C ATOM 806 CE2 TYR A 54 6.364 -0.383 3.390 1.00 44.23 C ATOM 807 CZ TYR A 54 5.874 0.374 4.433 1.00 22.20 C ATOM 808 OH TYR A 54 6.412 0.232 5.692 1.00 41.32 O ATOM 0 H TYR A 54 3.605 -1.806 -0.444 1.00 13.44 H new ATOM 0 HA TYR A 54 2.199 0.309 1.044 1.00 22.52 H new ATOM 0 HB2 TYR A 54 4.954 0.518 -0.230 1.00 63.53 H new ATOM 0 HB3 TYR A 54 4.015 1.887 0.330 1.00 63.53 H new ATOM 0 HD1 TYR A 54 3.520 2.121 2.791 1.00 50.25 H new ATOM 0 HD2 TYR A 54 6.215 -0.825 1.310 1.00 31.11 H new ATOM 0 HE1 TYR A 54 4.473 1.866 5.040 1.00 22.30 H new ATOM 0 HE2 TYR A 54 7.163 -1.089 3.560 1.00 44.23 H new ATOM 0 HH TYR A 54 7.121 -0.444 5.670 1.00 41.32 H new ATOM 818 N ILE A 55 1.437 1.349 -1.101 1.00 61.50 N ATOM 819 CA ILE A 55 0.863 1.859 -2.340 1.00 72.05 C ATOM 820 C ILE A 55 1.163 3.350 -2.467 1.00 64.32 C ATOM 821 O ILE A 55 1.571 3.983 -1.496 1.00 14.50 O ATOM 822 CB ILE A 55 -0.668 1.599 -2.424 1.00 21.04 C ATOM 823 CG1 ILE A 55 -1.423 2.257 -1.264 1.00 64.21 C ATOM 824 CG2 ILE A 55 -0.954 0.108 -2.445 1.00 31.23 C ATOM 825 CD1 ILE A 55 -1.841 3.685 -1.538 1.00 44.44 C ATOM 0 H ILE A 55 1.073 1.793 -0.258 1.00 61.50 H new ATOM 0 HA ILE A 55 1.322 1.323 -3.171 1.00 72.05 H new ATOM 0 HB ILE A 55 -1.021 2.048 -3.352 1.00 21.04 H new ATOM 0 HG12 ILE A 55 -2.310 1.666 -1.039 1.00 64.21 H new ATOM 0 HG13 ILE A 55 -0.793 2.237 -0.375 1.00 64.21 H new ATOM 0 HG21 ILE A 55 -2.030 -0.055 -2.504 1.00 31.23 H new ATOM 0 HG22 ILE A 55 -0.471 -0.343 -3.312 1.00 31.23 H new ATOM 0 HG23 ILE A 55 -0.567 -0.350 -1.535 1.00 31.23 H new ATOM 0 HD11 ILE A 55 -2.370 4.082 -0.671 1.00 44.44 H new ATOM 0 HD12 ILE A 55 -0.957 4.292 -1.733 1.00 44.44 H new ATOM 0 HD13 ILE A 55 -2.498 3.711 -2.407 1.00 44.44 H new ATOM 837 N GLY A 56 0.960 3.908 -3.648 1.00 64.23 N ATOM 838 CA GLY A 56 1.289 5.304 -3.866 1.00 60.33 C ATOM 839 C GLY A 56 0.058 6.173 -4.006 1.00 70.52 C ATOM 840 O GLY A 56 -0.860 5.829 -4.743 1.00 63.32 O ATOM 0 H GLY A 56 0.575 3.424 -4.459 1.00 64.23 H new ATOM 0 HA2 GLY A 56 1.893 5.666 -3.034 1.00 60.33 H new ATOM 0 HA3 GLY A 56 1.898 5.395 -4.765 1.00 60.33 H new ATOM 844 N THR A 57 0.044 7.302 -3.301 1.00 43.43 N ATOM 845 CA THR A 57 -1.080 8.234 -3.351 1.00 31.51 C ATOM 846 C THR A 57 -1.189 8.896 -4.730 1.00 65.24 C ATOM 847 O THR A 57 -2.227 9.461 -5.078 1.00 2.44 O ATOM 848 CB THR A 57 -0.936 9.327 -2.275 1.00 65.31 C ATOM 849 OG1 THR A 57 -0.504 8.744 -1.038 1.00 42.12 O ATOM 850 CG2 THR A 57 -2.258 10.048 -2.055 1.00 32.13 C ATOM 0 H THR A 57 0.803 7.595 -2.685 1.00 43.43 H new ATOM 0 HA THR A 57 -1.986 7.658 -3.160 1.00 31.51 H new ATOM 0 HB THR A 57 -0.195 10.047 -2.621 1.00 65.31 H new ATOM 0 HG1 THR A 57 -1.080 9.058 -0.310 1.00 42.12 H new ATOM 0 HG21 THR A 57 -2.131 10.815 -1.291 1.00 32.13 H new ATOM 0 HG22 THR A 57 -2.578 10.514 -2.987 1.00 32.13 H new ATOM 0 HG23 THR A 57 -3.013 9.332 -1.729 1.00 32.13 H new ATOM 858 N ARG A 58 -0.104 8.829 -5.504 1.00 1.42 N ATOM 859 CA ARG A 58 -0.084 9.367 -6.860 1.00 62.34 C ATOM 860 C ARG A 58 -1.226 8.798 -7.696 1.00 31.03 C ATOM 861 O ARG A 58 -1.963 9.542 -8.342 1.00 65.12 O ATOM 862 CB ARG A 58 1.252 9.052 -7.531 1.00 23.32 C ATOM 863 CG ARG A 58 2.304 10.136 -7.360 1.00 54.15 C ATOM 864 CD ARG A 58 1.911 11.408 -8.097 1.00 52.12 C ATOM 865 NE ARG A 58 3.013 12.365 -8.171 1.00 41.30 N ATOM 866 CZ ARG A 58 3.570 12.766 -9.316 1.00 24.12 C ATOM 867 NH1 ARG A 58 3.067 12.358 -10.476 1.00 42.42 N ATOM 868 NH2 ARG A 58 4.611 13.588 -9.302 1.00 51.24 N ATOM 0 H ARG A 58 0.776 8.404 -5.210 1.00 1.42 H new ATOM 0 HA ARG A 58 -0.212 10.447 -6.794 1.00 62.34 H new ATOM 0 HB2 ARG A 58 1.639 8.118 -7.124 1.00 23.32 H new ATOM 0 HB3 ARG A 58 1.082 8.890 -8.595 1.00 23.32 H new ATOM 0 HG2 ARG A 58 2.437 10.353 -6.300 1.00 54.15 H new ATOM 0 HG3 ARG A 58 3.263 9.778 -7.734 1.00 54.15 H new ATOM 0 HD2 ARG A 58 1.583 11.155 -9.105 1.00 52.12 H new ATOM 0 HD3 ARG A 58 1.063 11.871 -7.593 1.00 52.12 H new ATOM 0 HE ARG A 58 3.377 12.748 -7.299 1.00 41.30 H new ATOM 0 HH11 ARG A 58 2.256 11.739 -10.491 1.00 42.42 H new ATOM 0 HH12 ARG A 58 3.492 12.664 -11.352 1.00 42.42 H new ATOM 0 HH21 ARG A 58 4.989 13.917 -8.414 1.00 51.24 H new ATOM 0 HH22 ARG A 58 5.033 13.891 -10.180 1.00 51.24 H new ATOM 882 N TYR A 59 -1.361 7.481 -7.688 1.00 75.22 N ATOM 883 CA TYR A 59 -2.437 6.823 -8.393 1.00 62.12 C ATOM 884 C TYR A 59 -3.271 6.003 -7.420 1.00 13.14 C ATOM 885 O TYR A 59 -2.768 5.060 -6.813 1.00 21.35 O ATOM 886 CB TYR A 59 -1.872 5.897 -9.469 1.00 33.02 C ATOM 887 CG TYR A 59 -1.382 6.587 -10.722 1.00 54.44 C ATOM 888 CD1 TYR A 59 -0.258 7.401 -10.706 1.00 1.24 C ATOM 889 CD2 TYR A 59 -2.043 6.407 -11.931 1.00 51.50 C ATOM 890 CE1 TYR A 59 0.192 8.019 -11.856 1.00 45.30 C ATOM 891 CE2 TYR A 59 -1.599 7.018 -13.085 1.00 74.34 C ATOM 892 CZ TYR A 59 -0.482 7.822 -13.043 1.00 2.54 C ATOM 893 OH TYR A 59 -0.037 8.435 -14.192 1.00 2.23 O ATOM 0 H TYR A 59 -0.731 6.848 -7.196 1.00 75.22 H new ATOM 0 HA TYR A 59 -3.062 7.584 -8.860 1.00 62.12 H new ATOM 0 HB2 TYR A 59 -1.046 5.329 -9.040 1.00 33.02 H new ATOM 0 HB3 TYR A 59 -2.642 5.178 -9.747 1.00 33.02 H new ATOM 0 HD1 TYR A 59 0.274 7.554 -9.778 1.00 1.24 H new ATOM 0 HD2 TYR A 59 -2.920 5.778 -11.968 1.00 51.50 H new ATOM 0 HE1 TYR A 59 1.066 8.653 -11.826 1.00 45.30 H new ATOM 0 HE2 TYR A 59 -2.124 6.867 -14.016 1.00 74.34 H new ATOM 0 HH TYR A 59 -0.622 8.192 -14.940 1.00 2.23 H new ATOM 903 N LEU A 60 -4.548 6.342 -7.305 1.00 0.12 N ATOM 904 CA LEU A 60 -5.469 5.617 -6.431 1.00 41.44 C ATOM 905 C LEU A 60 -6.904 5.785 -6.906 1.00 3.23 C ATOM 906 O LEU A 60 -7.272 6.829 -7.449 1.00 0.11 O ATOM 907 CB LEU A 60 -5.363 6.108 -4.981 1.00 22.23 C ATOM 908 CG LEU A 60 -4.194 5.546 -4.170 1.00 11.23 C ATOM 909 CD1 LEU A 60 -4.160 6.178 -2.785 1.00 45.50 C ATOM 910 CD2 LEU A 60 -4.299 4.029 -4.066 1.00 42.42 C ATOM 0 H LEU A 60 -4.975 7.120 -7.809 1.00 0.12 H new ATOM 0 HA LEU A 60 -5.191 4.564 -6.471 1.00 41.44 H new ATOM 0 HB2 LEU A 60 -5.284 7.195 -4.991 1.00 22.23 H new ATOM 0 HB3 LEU A 60 -6.291 5.860 -4.465 1.00 22.23 H new ATOM 0 HG LEU A 60 -3.264 5.790 -4.683 1.00 11.23 H new ATOM 0 HD11 LEU A 60 -3.323 5.769 -2.219 1.00 45.50 H new ATOM 0 HD12 LEU A 60 -4.040 7.257 -2.880 1.00 45.50 H new ATOM 0 HD13 LEU A 60 -5.092 5.961 -2.263 1.00 45.50 H new ATOM 0 HD21 LEU A 60 -3.460 3.645 -3.486 1.00 42.42 H new ATOM 0 HD22 LEU A 60 -5.233 3.762 -3.573 1.00 42.42 H new ATOM 0 HD23 LEU A 60 -4.279 3.594 -5.065 1.00 42.42 H new ATOM 922 N SER A 61 -7.716 4.766 -6.683 1.00 43.24 N ATOM 923 CA SER A 61 -9.111 4.807 -7.078 1.00 2.25 C ATOM 924 C SER A 61 -10.012 4.934 -5.857 1.00 13.02 C ATOM 925 O SER A 61 -9.968 4.095 -4.955 1.00 2.51 O ATOM 926 CB SER A 61 -9.474 3.543 -7.855 1.00 52.04 C ATOM 927 OG SER A 61 -9.105 2.376 -7.133 1.00 31.34 O ATOM 0 H SER A 61 -7.431 3.898 -6.229 1.00 43.24 H new ATOM 0 HA SER A 61 -9.260 5.678 -7.716 1.00 2.25 H new ATOM 0 HB2 SER A 61 -10.546 3.529 -8.052 1.00 52.04 H new ATOM 0 HB3 SER A 61 -8.972 3.550 -8.822 1.00 52.04 H new ATOM 0 HG SER A 61 -8.331 1.956 -7.563 1.00 31.34 H new ATOM 933 N LYS A 62 -10.817 5.988 -5.819 1.00 74.32 N ATOM 934 CA LYS A 62 -11.837 6.116 -4.789 1.00 72.24 C ATOM 935 C LYS A 62 -12.889 5.031 -4.994 1.00 34.13 C ATOM 936 O LYS A 62 -13.162 4.635 -6.129 1.00 2.32 O ATOM 937 CB LYS A 62 -12.460 7.519 -4.802 1.00 2.12 C ATOM 938 CG LYS A 62 -11.746 8.511 -3.884 1.00 63.12 C ATOM 939 CD LYS A 62 -10.262 8.618 -4.206 1.00 32.32 C ATOM 940 CE LYS A 62 -9.488 9.270 -3.069 1.00 55.21 C ATOM 941 NZ LYS A 62 -9.828 10.705 -2.899 1.00 12.45 N ATOM 0 H LYS A 62 -10.784 6.760 -6.484 1.00 74.32 H new ATOM 0 HA LYS A 62 -11.382 5.984 -3.808 1.00 72.24 H new ATOM 0 HB2 LYS A 62 -12.446 7.905 -5.821 1.00 2.12 H new ATOM 0 HB3 LYS A 62 -13.506 7.447 -4.503 1.00 2.12 H new ATOM 0 HG2 LYS A 62 -12.210 9.493 -3.980 1.00 63.12 H new ATOM 0 HG3 LYS A 62 -11.871 8.200 -2.847 1.00 63.12 H new ATOM 0 HD2 LYS A 62 -9.858 7.624 -4.399 1.00 32.32 H new ATOM 0 HD3 LYS A 62 -10.128 9.199 -5.118 1.00 32.32 H new ATOM 0 HE2 LYS A 62 -9.696 8.738 -2.141 1.00 55.21 H new ATOM 0 HE3 LYS A 62 -8.419 9.173 -3.259 1.00 55.21 H new ATOM 0 HZ1 LYS A 62 -9.275 11.102 -2.113 1.00 12.45 H new ATOM 0 HZ2 LYS A 62 -9.605 11.221 -3.774 1.00 12.45 H new ATOM 0 HZ3 LYS A 62 -10.843 10.799 -2.690 1.00 12.45 H new