USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 463 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.0369 (180deg=-0.281) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.536 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.49! C(o=-3.5!,f=-5.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -3.72! K(o=-3.7!,f=-2.5) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 78:sc= 0.406 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.354 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.86! C(o=-2.9!,f=-2.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.742 K(o=-0.74,f=-1.3) USER MOD Single : A 68 TYR OH : rot -70:sc= -0.796 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -2.395 -6.975 5.636 1.00 0.00 N ATOM 67 CA ASP A 8 -3.399 -6.067 5.094 1.00 0.00 C ATOM 68 C ASP A 8 -2.745 -4.955 4.280 1.00 0.00 C ATOM 69 O ASP A 8 -1.606 -4.567 4.543 1.00 0.00 O ATOM 70 CB ASP A 8 -4.235 -5.464 6.224 1.00 0.00 C ATOM 71 CG ASP A 8 -4.579 -6.480 7.295 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.410 -7.371 7.022 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.018 -6.383 8.407 1.00 0.00 O ATOM 0 HA ASP A 8 -4.051 -6.639 4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.688 -4.636 6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.155 -5.050 5.811 1.00 0.00 H new ATOM 78 N TYR A 9 -3.471 -4.448 3.290 1.00 0.00 N ATOM 79 CA TYR A 9 -2.959 -3.384 2.434 1.00 0.00 C ATOM 80 C TYR A 9 -2.757 -2.097 3.228 1.00 0.00 C ATOM 81 O TYR A 9 -1.692 -1.482 3.174 1.00 0.00 O ATOM 82 CB TYR A 9 -3.918 -3.132 1.269 1.00 0.00 C ATOM 83 CG TYR A 9 -4.044 -4.306 0.324 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.916 -4.930 -0.194 1.00 0.00 C ATOM 85 CD2 TYR A 9 -5.291 -4.790 -0.051 1.00 0.00 C ATOM 86 CE1 TYR A 9 -3.026 -6.002 -1.058 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.411 -5.863 -0.913 1.00 0.00 C ATOM 88 CZ TYR A 9 -4.276 -6.465 -1.414 1.00 0.00 C ATOM 89 OH TYR A 9 -4.391 -7.533 -2.275 1.00 0.00 O ATOM 0 H TYR A 9 -4.416 -4.756 3.060 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.994 -3.702 2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.903 -2.889 1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.576 -2.261 0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.936 -4.571 0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.182 -4.319 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.139 -6.475 -1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.388 -6.228 -1.193 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.339 -7.734 -2.422 1.00 0.00 H new ATOM 99 N TYR A 10 -3.787 -1.696 3.965 1.00 0.00 N ATOM 100 CA TYR A 10 -3.724 -0.482 4.770 1.00 0.00 C ATOM 101 C TYR A 10 -2.492 -0.487 5.669 1.00 0.00 C ATOM 102 O TYR A 10 -1.875 0.552 5.900 1.00 0.00 O ATOM 103 CB TYR A 10 -4.988 -0.342 5.619 1.00 0.00 C ATOM 104 CG TYR A 10 -6.235 -0.068 4.809 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.391 1.129 4.121 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.257 -1.006 4.731 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.529 1.384 3.380 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.398 -0.760 3.991 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.529 0.437 3.318 1.00 0.00 C ATOM 110 OH TYR A 10 -9.663 0.687 2.580 1.00 0.00 O ATOM 0 H TYR A 10 -4.675 -2.194 4.022 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.653 0.369 4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.132 -1.257 6.194 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.846 0.466 6.336 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.609 1.873 4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.158 -1.944 5.258 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.635 2.320 2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.182 -1.501 3.940 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.268 -0.082 2.640 1.00 0.00 H new ATOM 120 N GLU A 11 -2.140 -1.666 6.173 1.00 0.00 N ATOM 121 CA GLU A 11 -0.981 -1.807 7.047 1.00 0.00 C ATOM 122 C GLU A 11 0.312 -1.533 6.285 1.00 0.00 C ATOM 123 O GLU A 11 1.100 -0.668 6.669 1.00 0.00 O ATOM 124 CB GLU A 11 -0.940 -3.211 7.654 1.00 0.00 C ATOM 125 CG GLU A 11 -2.014 -3.453 8.701 1.00 0.00 C ATOM 126 CD GLU A 11 -2.000 -2.411 9.803 1.00 0.00 C ATOM 127 OE1 GLU A 11 -0.966 -2.290 10.492 1.00 0.00 O ATOM 128 OE2 GLU A 11 -3.024 -1.717 9.975 1.00 0.00 O ATOM 0 H GLU A 11 -2.640 -2.536 5.991 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.072 -1.074 7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.050 -3.946 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.039 -3.374 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.992 -3.454 8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.873 -4.441 9.139 1.00 0.00 H new ATOM 135 N ILE A 12 0.523 -2.275 5.203 1.00 0.00 N ATOM 136 CA ILE A 12 1.720 -2.112 4.387 1.00 0.00 C ATOM 137 C ILE A 12 2.061 -0.638 4.200 1.00 0.00 C ATOM 138 O ILE A 12 3.218 -0.235 4.333 1.00 0.00 O ATOM 139 CB ILE A 12 1.551 -2.768 3.004 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.356 -4.278 3.151 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.756 -2.468 2.125 1.00 0.00 C ATOM 142 CD1 ILE A 12 0.917 -4.959 1.873 1.00 0.00 C ATOM 0 H ILE A 12 -0.119 -2.995 4.871 1.00 0.00 H new ATOM 0 HA ILE A 12 2.534 -2.606 4.918 1.00 0.00 H new ATOM 0 HB ILE A 12 0.664 -2.351 2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.291 -4.726 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.614 -4.466 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.622 -2.938 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.854 -1.390 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.657 -2.861 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.799 -6.028 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.034 -4.539 1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.669 -4.802 1.100 1.00 0.00 H new ATOM 154 N LEU A 13 1.048 0.164 3.893 1.00 0.00 N ATOM 155 CA LEU A 13 1.239 1.596 3.689 1.00 0.00 C ATOM 156 C LEU A 13 1.410 2.317 5.022 1.00 0.00 C ATOM 157 O LEU A 13 2.321 3.126 5.190 1.00 0.00 O ATOM 158 CB LEU A 13 0.052 2.185 2.926 1.00 0.00 C ATOM 159 CG LEU A 13 -0.354 1.453 1.646 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.719 1.925 1.171 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.691 1.659 0.559 1.00 0.00 C ATOM 0 H LEU A 13 0.085 -0.153 3.780 1.00 0.00 H new ATOM 0 HA LEU A 13 2.146 1.737 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.808 2.209 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.287 3.218 2.671 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.417 0.387 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.991 1.393 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.462 1.725 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.684 2.996 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.385 1.131 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.786 2.723 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.651 1.271 0.899 1.00 0.00 H new ATOM 173 N GLY A 14 0.527 2.016 5.970 1.00 0.00 N ATOM 174 CA GLY A 14 0.599 2.642 7.277 1.00 0.00 C ATOM 175 C GLY A 14 -0.526 3.632 7.508 1.00 0.00 C ATOM 176 O GLY A 14 -0.285 4.782 7.874 1.00 0.00 O ATOM 0 H GLY A 14 -0.237 1.350 5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.565 1.872 8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.556 3.154 7.379 1.00 0.00 H new ATOM 180 N VAL A 15 -1.759 3.185 7.293 1.00 0.00 N ATOM 181 CA VAL A 15 -2.925 4.039 7.479 1.00 0.00 C ATOM 182 C VAL A 15 -4.090 3.256 8.074 1.00 0.00 C ATOM 183 O VAL A 15 -3.994 2.048 8.290 1.00 0.00 O ATOM 184 CB VAL A 15 -3.374 4.675 6.150 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.265 5.542 5.572 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.791 3.599 5.159 1.00 0.00 C ATOM 0 H VAL A 15 -1.976 2.236 6.990 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.631 4.829 8.170 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.237 5.312 6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.600 5.983 4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.018 6.335 6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.382 4.930 5.390 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.105 4.066 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.948 2.935 4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.619 3.024 5.574 1.00 0.00 H new ATOM 196 N SER A 16 -5.192 3.953 8.335 1.00 0.00 N ATOM 197 CA SER A 16 -6.376 3.323 8.908 1.00 0.00 C ATOM 198 C SER A 16 -7.294 2.793 7.811 1.00 0.00 C ATOM 199 O SER A 16 -7.220 3.226 6.662 1.00 0.00 O ATOM 200 CB SER A 16 -7.135 4.321 9.786 1.00 0.00 C ATOM 201 OG SER A 16 -6.476 4.515 11.025 1.00 0.00 O ATOM 0 H SER A 16 -5.289 4.953 8.159 1.00 0.00 H new ATOM 0 HA SER A 16 -6.050 2.483 9.522 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.224 5.274 9.265 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.148 3.958 9.962 1.00 0.00 H new ATOM 0 HG SER A 16 -6.980 5.158 11.566 1.00 0.00 H new ATOM 207 N ARG A 17 -8.158 1.851 8.176 1.00 0.00 N ATOM 208 CA ARG A 17 -9.090 1.259 7.224 1.00 0.00 C ATOM 209 C ARG A 17 -10.174 2.258 6.831 1.00 0.00 C ATOM 210 O ARG A 17 -11.118 2.493 7.585 1.00 0.00 O ATOM 211 CB ARG A 17 -9.729 0.003 7.817 1.00 0.00 C ATOM 212 CG ARG A 17 -8.828 -1.220 7.770 1.00 0.00 C ATOM 213 CD ARG A 17 -7.854 -1.239 8.938 1.00 0.00 C ATOM 214 NE ARG A 17 -8.539 -1.368 10.221 1.00 0.00 N ATOM 215 CZ ARG A 17 -7.923 -1.679 11.356 1.00 0.00 C ATOM 216 NH1 ARG A 17 -6.614 -1.891 11.366 1.00 0.00 N ATOM 217 NH2 ARG A 17 -8.616 -1.777 12.483 1.00 0.00 N ATOM 0 H ARG A 17 -8.232 1.482 9.124 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.531 0.985 6.329 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.005 0.201 8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.651 -0.215 7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.438 -2.123 7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.273 -1.229 6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.157 -2.068 8.815 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.264 -0.322 8.933 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.546 -1.211 10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.078 -1.815 10.501 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.143 -2.130 12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.623 -1.613 12.478 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.142 -2.016 13.354 1.00 0.00 H new ATOM 231 N GLY A 18 -10.032 2.844 5.646 1.00 0.00 N ATOM 232 CA GLY A 18 -11.006 3.811 5.175 1.00 0.00 C ATOM 233 C GLY A 18 -10.377 5.147 4.831 1.00 0.00 C ATOM 234 O GLY A 18 -11.073 6.152 4.694 1.00 0.00 O ATOM 0 H GLY A 18 -9.260 2.666 5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.512 3.414 4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.767 3.958 5.941 1.00 0.00 H new ATOM 238 N ALA A 19 -9.055 5.158 4.692 1.00 0.00 N ATOM 239 CA ALA A 19 -8.332 6.380 4.361 1.00 0.00 C ATOM 240 C ALA A 19 -8.660 6.846 2.947 1.00 0.00 C ATOM 241 O ALA A 19 -8.697 6.046 2.012 1.00 0.00 O ATOM 242 CB ALA A 19 -6.834 6.165 4.514 1.00 0.00 C ATOM 0 H ALA A 19 -8.463 4.335 4.803 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.649 7.159 5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.307 7.086 4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.610 5.887 5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.511 5.368 3.844 1.00 0.00 H new ATOM 248 N SER A 20 -8.898 8.145 2.797 1.00 0.00 N ATOM 249 CA SER A 20 -9.227 8.717 1.496 1.00 0.00 C ATOM 250 C SER A 20 -8.011 8.707 0.575 1.00 0.00 C ATOM 251 O SER A 20 -6.879 8.529 1.024 1.00 0.00 O ATOM 252 CB SER A 20 -9.745 10.147 1.661 1.00 0.00 C ATOM 253 OG SER A 20 -10.343 10.614 0.464 1.00 0.00 O ATOM 0 H SER A 20 -8.869 8.821 3.560 1.00 0.00 H new ATOM 0 HA SER A 20 -10.008 8.105 1.044 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.472 10.182 2.472 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.922 10.805 1.941 1.00 0.00 H new ATOM 0 HG SER A 20 -10.668 11.529 0.596 1.00 0.00 H new ATOM 259 N ASP A 21 -8.255 8.898 -0.717 1.00 0.00 N ATOM 260 CA ASP A 21 -7.181 8.912 -1.704 1.00 0.00 C ATOM 261 C ASP A 21 -6.006 9.754 -1.216 1.00 0.00 C ATOM 262 O ASP A 21 -4.888 9.257 -1.081 1.00 0.00 O ATOM 263 CB ASP A 21 -7.693 9.455 -3.039 1.00 0.00 C ATOM 264 CG ASP A 21 -9.010 8.828 -3.451 1.00 0.00 C ATOM 265 OD1 ASP A 21 -9.058 7.589 -3.594 1.00 0.00 O ATOM 266 OD2 ASP A 21 -9.993 9.577 -3.631 1.00 0.00 O ATOM 0 H ASP A 21 -9.187 9.045 -1.105 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.837 7.887 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.815 10.536 -2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.948 9.270 -3.813 1.00 0.00 H new ATOM 271 N GLU A 22 -6.267 11.031 -0.954 1.00 0.00 N ATOM 272 CA GLU A 22 -5.230 11.942 -0.483 1.00 0.00 C ATOM 273 C GLU A 22 -4.364 11.276 0.582 1.00 0.00 C ATOM 274 O GLU A 22 -3.135 11.319 0.515 1.00 0.00 O ATOM 275 CB GLU A 22 -5.859 13.218 0.080 1.00 0.00 C ATOM 276 CG GLU A 22 -4.926 14.418 0.055 1.00 0.00 C ATOM 277 CD GLU A 22 -5.654 15.727 0.288 1.00 0.00 C ATOM 278 OE1 GLU A 22 -6.288 15.873 1.354 1.00 0.00 O ATOM 279 OE2 GLU A 22 -5.590 16.607 -0.596 1.00 0.00 O ATOM 0 H GLU A 22 -7.187 11.458 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.597 12.201 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.756 13.454 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.175 13.035 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.158 14.293 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.415 14.457 -0.907 1.00 0.00 H new ATOM 286 N ASP A 23 -5.013 10.660 1.564 1.00 0.00 N ATOM 287 CA ASP A 23 -4.303 9.984 2.644 1.00 0.00 C ATOM 288 C ASP A 23 -3.417 8.869 2.097 1.00 0.00 C ATOM 289 O ASP A 23 -2.195 8.902 2.249 1.00 0.00 O ATOM 290 CB ASP A 23 -5.297 9.412 3.656 1.00 0.00 C ATOM 291 CG ASP A 23 -5.970 10.492 4.480 1.00 0.00 C ATOM 292 OD1 ASP A 23 -6.629 11.369 3.883 1.00 0.00 O ATOM 293 OD2 ASP A 23 -5.837 10.462 5.721 1.00 0.00 O ATOM 0 H ASP A 23 -6.030 10.615 1.635 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.668 10.716 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.057 8.835 3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.778 8.722 4.321 1.00 0.00 H new ATOM 298 N LEU A 24 -4.040 7.883 1.461 1.00 0.00 N ATOM 299 CA LEU A 24 -3.308 6.757 0.892 1.00 0.00 C ATOM 300 C LEU A 24 -2.113 7.240 0.077 1.00 0.00 C ATOM 301 O LEU A 24 -1.036 6.645 0.120 1.00 0.00 O ATOM 302 CB LEU A 24 -4.233 5.914 0.012 1.00 0.00 C ATOM 303 CG LEU A 24 -5.401 5.232 0.726 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.545 4.980 -0.243 1.00 0.00 C ATOM 305 CD2 LEU A 24 -4.945 3.929 1.366 1.00 0.00 C ATOM 0 H LEU A 24 -5.050 7.840 1.326 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.939 6.143 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.637 6.553 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.635 5.146 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.759 5.895 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.367 4.494 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.888 5.929 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.201 4.336 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.788 3.457 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.561 3.260 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.158 4.136 2.092 1.00 0.00 H new ATOM 317 N LYS A 25 -2.309 8.324 -0.666 1.00 0.00 N ATOM 318 CA LYS A 25 -1.248 8.891 -1.489 1.00 0.00 C ATOM 319 C LYS A 25 -0.096 9.391 -0.623 1.00 0.00 C ATOM 320 O LYS A 25 1.008 8.846 -0.664 1.00 0.00 O ATOM 321 CB LYS A 25 -1.793 10.038 -2.342 1.00 0.00 C ATOM 322 CG LYS A 25 -1.011 10.268 -3.624 1.00 0.00 C ATOM 323 CD LYS A 25 -1.348 11.611 -4.250 1.00 0.00 C ATOM 324 CE LYS A 25 -0.336 11.998 -5.317 1.00 0.00 C ATOM 325 NZ LYS A 25 -0.478 13.424 -5.724 1.00 0.00 N ATOM 0 H LYS A 25 -3.194 8.828 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.873 8.105 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.833 9.830 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.784 10.954 -1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.057 10.222 -3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.230 9.470 -4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.344 11.569 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.374 12.378 -3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.672 11.826 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.464 11.357 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.229 13.649 -6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.432 13.582 -6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.330 14.037 -4.897 1.00 0.00 H new ATOM 339 N LYS A 26 -0.359 10.430 0.162 1.00 0.00 N ATOM 340 CA LYS A 26 0.654 11.003 1.041 1.00 0.00 C ATOM 341 C LYS A 26 1.425 9.906 1.769 1.00 0.00 C ATOM 342 O LYS A 26 2.653 9.852 1.705 1.00 0.00 O ATOM 343 CB LYS A 26 0.004 11.945 2.057 1.00 0.00 C ATOM 344 CG LYS A 26 -0.566 13.209 1.437 1.00 0.00 C ATOM 345 CD LYS A 26 -1.684 13.791 2.285 1.00 0.00 C ATOM 346 CE LYS A 26 -2.096 15.170 1.794 1.00 0.00 C ATOM 347 NZ LYS A 26 -1.022 16.179 2.006 1.00 0.00 N ATOM 0 H LYS A 26 -1.267 10.893 0.208 1.00 0.00 H new ATOM 0 HA LYS A 26 1.354 11.569 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.794 11.413 2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.743 12.221 2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.227 13.948 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.943 12.987 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.545 13.123 2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.359 13.856 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.342 15.119 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.999 15.486 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.425 17.135 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.605 16.049 2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.285 16.059 1.282 1.00 0.00 H new ATOM 361 N ALA A 27 0.696 9.035 2.458 1.00 0.00 N ATOM 362 CA ALA A 27 1.312 7.938 3.195 1.00 0.00 C ATOM 363 C ALA A 27 2.114 7.034 2.265 1.00 0.00 C ATOM 364 O ALA A 27 3.274 6.723 2.534 1.00 0.00 O ATOM 365 CB ALA A 27 0.250 7.133 3.929 1.00 0.00 C ATOM 0 H ALA A 27 -0.322 9.067 2.522 1.00 0.00 H new ATOM 0 HA ALA A 27 1.999 8.365 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.724 6.317 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.277 7.780 4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.459 6.724 3.209 1.00 0.00 H new ATOM 371 N TYR A 28 1.488 6.615 1.170 1.00 0.00 N ATOM 372 CA TYR A 28 2.143 5.743 0.202 1.00 0.00 C ATOM 373 C TYR A 28 3.489 6.319 -0.226 1.00 0.00 C ATOM 374 O TYR A 28 4.513 5.637 -0.173 1.00 0.00 O ATOM 375 CB TYR A 28 1.248 5.544 -1.023 1.00 0.00 C ATOM 376 CG TYR A 28 1.930 4.816 -2.159 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.593 3.614 -1.942 1.00 0.00 C ATOM 378 CD2 TYR A 28 1.911 5.329 -3.450 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.218 2.946 -2.976 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.532 4.667 -4.491 1.00 0.00 C ATOM 381 CZ TYR A 28 3.185 3.476 -4.249 1.00 0.00 C ATOM 382 OH TYR A 28 3.805 2.813 -5.283 1.00 0.00 O ATOM 0 H TYR A 28 0.528 6.865 0.931 1.00 0.00 H new ATOM 0 HA TYR A 28 2.316 4.778 0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.359 4.986 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.910 6.518 -1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.620 3.195 -0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.402 6.262 -3.643 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.730 2.014 -2.789 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.507 5.079 -5.489 1.00 0.00 H new ATOM 0 HH TYR A 28 3.687 3.319 -6.114 1.00 0.00 H new ATOM 392 N ARG A 29 3.479 7.579 -0.649 1.00 0.00 N ATOM 393 CA ARG A 29 4.699 8.247 -1.086 1.00 0.00 C ATOM 394 C ARG A 29 5.753 8.232 0.017 1.00 0.00 C ATOM 395 O ARG A 29 6.844 7.690 -0.162 1.00 0.00 O ATOM 396 CB ARG A 29 4.396 9.690 -1.497 1.00 0.00 C ATOM 397 CG ARG A 29 3.416 9.801 -2.653 1.00 0.00 C ATOM 398 CD ARG A 29 3.676 11.046 -3.486 1.00 0.00 C ATOM 399 NE ARG A 29 4.980 11.003 -4.142 1.00 0.00 N ATOM 400 CZ ARG A 29 5.433 11.962 -4.941 1.00 0.00 C ATOM 401 NH1 ARG A 29 4.691 13.035 -5.181 1.00 0.00 N ATOM 402 NH2 ARG A 29 6.630 11.850 -5.502 1.00 0.00 N ATOM 0 H ARG A 29 2.640 8.157 -0.698 1.00 0.00 H new ATOM 0 HA ARG A 29 5.091 7.705 -1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.994 10.227 -0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.328 10.183 -1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.495 8.916 -3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.397 9.827 -2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.895 11.148 -4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.620 11.928 -2.847 1.00 0.00 H new ATOM 0 HE ARG A 29 5.576 10.192 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.770 13.125 -4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.041 13.770 -5.795 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.204 11.026 -5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.977 12.587 -6.116 1.00 0.00 H new ATOM 416 N ARG A 30 5.420 8.830 1.156 1.00 0.00 N ATOM 417 CA ARG A 30 6.338 8.886 2.286 1.00 0.00 C ATOM 418 C ARG A 30 7.182 7.617 2.365 1.00 0.00 C ATOM 419 O ARG A 30 8.340 7.654 2.782 1.00 0.00 O ATOM 420 CB ARG A 30 5.563 9.077 3.591 1.00 0.00 C ATOM 421 CG ARG A 30 6.408 8.873 4.838 1.00 0.00 C ATOM 422 CD ARG A 30 5.838 9.628 6.028 1.00 0.00 C ATOM 423 NE ARG A 30 6.850 9.888 7.048 1.00 0.00 N ATOM 424 CZ ARG A 30 6.567 10.328 8.269 1.00 0.00 C ATOM 425 NH1 ARG A 30 5.309 10.555 8.621 1.00 0.00 N ATOM 426 NH2 ARG A 30 7.544 10.541 9.141 1.00 0.00 N ATOM 0 H ARG A 30 4.521 9.283 1.320 1.00 0.00 H new ATOM 0 HA ARG A 30 7.004 9.736 2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.141 10.082 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.726 8.379 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.462 7.810 5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.427 9.209 4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.415 10.573 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.022 9.052 6.465 1.00 0.00 H new ATOM 0 HE ARG A 30 7.828 9.723 6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.555 10.392 7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.095 10.893 9.559 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.513 10.367 8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.326 10.879 10.078 1.00 0.00 H new ATOM 440 N LEU A 31 6.594 6.496 1.963 1.00 0.00 N ATOM 441 CA LEU A 31 7.291 5.215 1.988 1.00 0.00 C ATOM 442 C LEU A 31 8.179 5.054 0.759 1.00 0.00 C ATOM 443 O LEU A 31 9.399 4.935 0.873 1.00 0.00 O ATOM 444 CB LEU A 31 6.284 4.065 2.058 1.00 0.00 C ATOM 445 CG LEU A 31 5.252 4.144 3.183 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.202 3.056 3.021 1.00 0.00 C ATOM 447 CD2 LEU A 31 5.933 4.032 4.540 1.00 0.00 C ATOM 0 H LEU A 31 5.636 6.448 1.616 1.00 0.00 H new ATOM 0 HA LEU A 31 7.923 5.191 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.753 4.016 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.836 3.131 2.163 1.00 0.00 H new ATOM 0 HG LEU A 31 4.755 5.112 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.476 3.128 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.693 3.181 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.683 2.078 3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.183 4.090 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.457 3.078 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.647 4.847 4.657 1.00 0.00 H new ATOM 459 N ALA A 32 7.560 5.053 -0.417 1.00 0.00 N ATOM 460 CA ALA A 32 8.295 4.912 -1.668 1.00 0.00 C ATOM 461 C ALA A 32 9.565 5.755 -1.656 1.00 0.00 C ATOM 462 O ALA A 32 10.652 5.262 -1.962 1.00 0.00 O ATOM 463 CB ALA A 32 7.412 5.300 -2.845 1.00 0.00 C ATOM 0 H ALA A 32 6.551 5.148 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 32 8.585 3.867 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.973 5.190 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.536 4.652 -2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.093 6.336 -2.735 1.00 0.00 H new ATOM 469 N LEU A 33 9.422 7.027 -1.302 1.00 0.00 N ATOM 470 CA LEU A 33 10.560 7.939 -1.252 1.00 0.00 C ATOM 471 C LEU A 33 11.641 7.410 -0.315 1.00 0.00 C ATOM 472 O LEU A 33 12.834 7.575 -0.570 1.00 0.00 O ATOM 473 CB LEU A 33 10.106 9.327 -0.794 1.00 0.00 C ATOM 474 CG LEU A 33 9.459 10.208 -1.862 1.00 0.00 C ATOM 475 CD1 LEU A 33 10.476 10.592 -2.926 1.00 0.00 C ATOM 476 CD2 LEU A 33 8.269 9.497 -2.492 1.00 0.00 C ATOM 0 H LEU A 33 8.530 7.451 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 33 10.980 8.013 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.397 9.203 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.970 9.855 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 33 9.101 11.120 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.997 11.219 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.296 11.142 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.865 9.691 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.821 10.139 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.603 8.568 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.530 9.274 -1.723 1.00 0.00 H new ATOM 488 N LYS A 34 11.216 6.773 0.770 1.00 0.00 N ATOM 489 CA LYS A 34 12.146 6.215 1.745 1.00 0.00 C ATOM 490 C LYS A 34 12.706 4.881 1.262 1.00 0.00 C ATOM 491 O LYS A 34 13.829 4.509 1.600 1.00 0.00 O ATOM 492 CB LYS A 34 11.452 6.030 3.096 1.00 0.00 C ATOM 493 CG LYS A 34 12.327 5.363 4.143 1.00 0.00 C ATOM 494 CD LYS A 34 11.495 4.764 5.265 1.00 0.00 C ATOM 495 CE LYS A 34 12.345 3.911 6.194 1.00 0.00 C ATOM 496 NZ LYS A 34 13.229 4.743 7.058 1.00 0.00 N ATOM 0 H LYS A 34 10.232 6.630 0.997 1.00 0.00 H new ATOM 0 HA LYS A 34 12.973 6.915 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.133 7.004 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.551 5.433 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.925 4.581 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.024 6.093 4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.021 5.563 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.695 4.157 4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.696 3.299 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.954 3.227 5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.792 4.125 7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.866 5.308 6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.647 5.378 7.641 1.00 0.00 H new ATOM 510 N PHE A 35 11.915 4.166 0.468 1.00 0.00 N ATOM 511 CA PHE A 35 12.333 2.873 -0.062 1.00 0.00 C ATOM 512 C PHE A 35 12.572 2.954 -1.567 1.00 0.00 C ATOM 513 O PHE A 35 12.508 1.946 -2.272 1.00 0.00 O ATOM 514 CB PHE A 35 11.276 1.809 0.241 1.00 0.00 C ATOM 515 CG PHE A 35 11.088 1.552 1.709 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.958 0.722 2.398 1.00 0.00 C ATOM 517 CD2 PHE A 35 10.041 2.140 2.400 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.788 0.484 3.749 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.867 1.906 3.751 1.00 0.00 C ATOM 520 CZ PHE A 35 10.740 1.076 4.426 1.00 0.00 C ATOM 0 H PHE A 35 10.982 4.460 0.178 1.00 0.00 H new ATOM 0 HA PHE A 35 13.269 2.595 0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.324 2.120 -0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.559 0.878 -0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.779 0.256 1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.353 2.788 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.474 -0.164 4.274 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.048 2.372 4.279 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.604 0.890 5.481 1.00 0.00 H new ATOM 530 N HIS A 36 12.847 4.160 -2.052 1.00 0.00 N ATOM 531 CA HIS A 36 13.096 4.374 -3.474 1.00 0.00 C ATOM 532 C HIS A 36 14.487 3.883 -3.861 1.00 0.00 C ATOM 533 O HIS A 36 15.459 4.050 -3.124 1.00 0.00 O ATOM 534 CB HIS A 36 12.950 5.856 -3.821 1.00 0.00 C ATOM 535 CG HIS A 36 12.479 6.099 -5.222 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.283 6.641 -6.203 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.280 5.868 -5.806 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.598 6.735 -7.329 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.380 6.273 -7.115 1.00 0.00 N ATOM 0 H HIS A 36 12.903 5.004 -1.482 1.00 0.00 H new ATOM 0 HA HIS A 36 12.359 3.802 -4.038 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.248 6.316 -3.125 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.911 6.351 -3.678 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.407 5.444 -5.331 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.971 7.124 -8.265 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.634 6.225 -7.809 1.00 0.00 H new ATOM 547 N PRO A 37 14.588 3.262 -5.046 1.00 0.00 N ATOM 548 CA PRO A 37 15.856 2.734 -5.558 1.00 0.00 C ATOM 549 C PRO A 37 16.830 3.841 -5.945 1.00 0.00 C ATOM 550 O PRO A 37 18.007 3.583 -6.199 1.00 0.00 O ATOM 551 CB PRO A 37 15.434 1.936 -6.794 1.00 0.00 C ATOM 552 CG PRO A 37 14.156 2.563 -7.232 1.00 0.00 C ATOM 553 CD PRO A 37 13.471 3.028 -5.977 1.00 0.00 C ATOM 0 HA PRO A 37 16.383 2.141 -4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.190 1.990 -7.577 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.296 0.881 -6.556 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.342 3.398 -7.907 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.536 1.848 -7.773 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.893 3.936 -6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.780 2.277 -5.595 1.00 0.00 H new ATOM 561 N ASP A 38 16.333 5.072 -5.988 1.00 0.00 N ATOM 562 CA ASP A 38 17.161 6.219 -6.344 1.00 0.00 C ATOM 563 C ASP A 38 17.555 7.010 -5.100 1.00 0.00 C ATOM 564 O ASP A 38 18.714 7.394 -4.937 1.00 0.00 O ATOM 565 CB ASP A 38 16.419 7.125 -7.327 1.00 0.00 C ATOM 566 CG ASP A 38 17.363 7.953 -8.177 1.00 0.00 C ATOM 567 OD1 ASP A 38 18.185 7.356 -8.904 1.00 0.00 O ATOM 568 OD2 ASP A 38 17.280 9.197 -8.116 1.00 0.00 O ATOM 0 H ASP A 38 15.361 5.302 -5.781 1.00 0.00 H new ATOM 0 HA ASP A 38 18.069 5.848 -6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.791 6.515 -7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.755 7.789 -6.774 1.00 0.00 H new ATOM 573 N LYS A 39 16.584 7.252 -4.227 1.00 0.00 N ATOM 574 CA LYS A 39 16.828 7.997 -2.997 1.00 0.00 C ATOM 575 C LYS A 39 17.618 7.157 -1.999 1.00 0.00 C ATOM 576 O LYS A 39 18.626 7.606 -1.457 1.00 0.00 O ATOM 577 CB LYS A 39 15.502 8.438 -2.373 1.00 0.00 C ATOM 578 CG LYS A 39 14.815 9.559 -3.133 1.00 0.00 C ATOM 579 CD LYS A 39 14.296 9.084 -4.479 1.00 0.00 C ATOM 580 CE LYS A 39 13.508 10.174 -5.189 1.00 0.00 C ATOM 581 NZ LYS A 39 14.392 11.061 -5.996 1.00 0.00 N ATOM 0 H LYS A 39 15.620 6.943 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 39 17.417 8.880 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.831 7.580 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.683 8.763 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.987 9.948 -2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.515 10.381 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.133 8.773 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.662 8.209 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.761 9.718 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.969 10.771 -4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.818 11.791 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.089 11.516 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.887 10.496 -6.715 1.00 0.00 H new ATOM 595 N ASN A 40 17.153 5.934 -1.763 1.00 0.00 N ATOM 596 CA ASN A 40 17.817 5.031 -0.830 1.00 0.00 C ATOM 597 C ASN A 40 19.020 4.359 -1.487 1.00 0.00 C ATOM 598 O ASN A 40 20.128 4.385 -0.951 1.00 0.00 O ATOM 599 CB ASN A 40 16.836 3.969 -0.330 1.00 0.00 C ATOM 600 CG ASN A 40 17.197 3.452 1.049 1.00 0.00 C ATOM 601 OD1 ASN A 40 18.353 3.521 1.467 1.00 0.00 O ATOM 602 ND2 ASN A 40 16.207 2.930 1.763 1.00 0.00 N ATOM 0 H ASN A 40 16.320 5.546 -2.205 1.00 0.00 H new ATOM 0 HA ASN A 40 18.169 5.619 0.018 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.831 4.390 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.816 3.137 -1.033 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.390 2.566 2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.264 2.893 1.377 1.00 0.00 H new ATOM 650 N GLY A 44 17.778 -3.970 0.299 1.00 0.00 N ATOM 651 CA GLY A 44 16.864 -4.307 1.375 1.00 0.00 C ATOM 652 C GLY A 44 15.742 -3.298 1.519 1.00 0.00 C ATOM 653 O GLY A 44 14.696 -3.601 2.093 1.00 0.00 O ATOM 0 HA2 GLY A 44 16.440 -5.294 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.417 -4.367 2.312 1.00 0.00 H new ATOM 657 N ALA A 45 15.960 -2.095 0.999 1.00 0.00 N ATOM 658 CA ALA A 45 14.958 -1.038 1.072 1.00 0.00 C ATOM 659 C ALA A 45 14.015 -1.092 -0.124 1.00 0.00 C ATOM 660 O ALA A 45 12.801 -1.233 0.033 1.00 0.00 O ATOM 661 CB ALA A 45 15.632 0.323 1.155 1.00 0.00 C ATOM 0 H ALA A 45 16.821 -1.828 0.523 1.00 0.00 H new ATOM 0 HA ALA A 45 14.367 -1.194 1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.872 1.103 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 45 16.259 0.365 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.249 0.478 0.270 1.00 0.00 H new ATOM 667 N THR A 46 14.579 -0.978 -1.323 1.00 0.00 N ATOM 668 CA THR A 46 13.788 -1.011 -2.546 1.00 0.00 C ATOM 669 C THR A 46 12.914 -2.259 -2.602 1.00 0.00 C ATOM 670 O THR A 46 11.712 -2.175 -2.847 1.00 0.00 O ATOM 671 CB THR A 46 14.686 -0.971 -3.797 1.00 0.00 C ATOM 672 OG1 THR A 46 15.818 -0.126 -3.560 1.00 0.00 O ATOM 673 CG2 THR A 46 13.911 -0.463 -5.004 1.00 0.00 C ATOM 0 H THR A 46 15.581 -0.862 -1.472 1.00 0.00 H new ATOM 0 HA THR A 46 13.152 -0.126 -2.535 1.00 0.00 H new ATOM 0 HB THR A 46 15.027 -1.985 -4.005 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.385 -0.107 -4.359 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.566 -0.444 -5.875 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.067 -1.125 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.544 0.544 -4.803 1.00 0.00 H new ATOM 681 N GLU A 47 13.528 -3.416 -2.373 1.00 0.00 N ATOM 682 CA GLU A 47 12.804 -4.682 -2.398 1.00 0.00 C ATOM 683 C GLU A 47 11.447 -4.546 -1.712 1.00 0.00 C ATOM 684 O GLU A 47 10.497 -5.253 -2.047 1.00 0.00 O ATOM 685 CB GLU A 47 13.625 -5.778 -1.716 1.00 0.00 C ATOM 686 CG GLU A 47 14.613 -6.465 -2.643 1.00 0.00 C ATOM 687 CD GLU A 47 15.155 -7.757 -2.064 1.00 0.00 C ATOM 688 OE1 GLU A 47 14.428 -8.408 -1.284 1.00 0.00 O ATOM 689 OE2 GLU A 47 16.305 -8.118 -2.390 1.00 0.00 O ATOM 0 H GLU A 47 14.523 -3.503 -2.168 1.00 0.00 H new ATOM 0 HA GLU A 47 12.639 -4.957 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.169 -5.344 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.947 -6.525 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.126 -6.674 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.442 -5.788 -2.850 1.00 0.00 H new ATOM 696 N ALA A 48 11.365 -3.632 -0.751 1.00 0.00 N ATOM 697 CA ALA A 48 10.126 -3.402 -0.019 1.00 0.00 C ATOM 698 C ALA A 48 9.161 -2.543 -0.829 1.00 0.00 C ATOM 699 O ALA A 48 7.956 -2.794 -0.847 1.00 0.00 O ATOM 700 CB ALA A 48 10.419 -2.747 1.323 1.00 0.00 C ATOM 0 H ALA A 48 12.142 -3.039 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 48 9.652 -4.368 0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.484 -2.581 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.065 -3.398 1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.918 -1.792 1.160 1.00 0.00 H new ATOM 706 N PHE A 49 9.698 -1.529 -1.499 1.00 0.00 N ATOM 707 CA PHE A 49 8.884 -0.631 -2.310 1.00 0.00 C ATOM 708 C PHE A 49 7.941 -1.420 -3.213 1.00 0.00 C ATOM 709 O PHE A 49 6.734 -1.177 -3.235 1.00 0.00 O ATOM 710 CB PHE A 49 9.778 0.277 -3.156 1.00 0.00 C ATOM 711 CG PHE A 49 9.012 1.176 -4.084 1.00 0.00 C ATOM 712 CD1 PHE A 49 7.748 1.630 -3.743 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.555 1.566 -5.298 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.040 2.458 -4.595 1.00 0.00 C ATOM 715 CE2 PHE A 49 8.852 2.393 -6.153 1.00 0.00 C ATOM 716 CZ PHE A 49 7.593 2.839 -5.802 1.00 0.00 C ATOM 0 H PHE A 49 10.694 -1.308 -1.496 1.00 0.00 H new ATOM 0 HA PHE A 49 8.286 -0.016 -1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.391 0.889 -2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.459 -0.340 -3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.311 1.334 -2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.539 1.220 -5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.056 2.806 -4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.287 2.691 -7.096 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.042 3.484 -6.470 1.00 0.00 H new ATOM 726 N LYS A 50 8.500 -2.367 -3.960 1.00 0.00 N ATOM 727 CA LYS A 50 7.712 -3.194 -4.865 1.00 0.00 C ATOM 728 C LYS A 50 6.421 -3.655 -4.196 1.00 0.00 C ATOM 729 O LYS A 50 5.348 -3.609 -4.798 1.00 0.00 O ATOM 730 CB LYS A 50 8.525 -4.408 -5.320 1.00 0.00 C ATOM 731 CG LYS A 50 9.450 -4.117 -6.489 1.00 0.00 C ATOM 732 CD LYS A 50 9.759 -5.377 -7.281 1.00 0.00 C ATOM 733 CE LYS A 50 10.764 -5.104 -8.390 1.00 0.00 C ATOM 734 NZ LYS A 50 10.822 -6.222 -9.373 1.00 0.00 N ATOM 0 H LYS A 50 9.497 -2.580 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 50 7.454 -2.591 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.117 -4.773 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.841 -5.209 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.989 -3.378 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.378 -3.681 -6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.153 -6.142 -6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.839 -5.773 -7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.495 -4.181 -8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.752 -4.951 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.518 -5.998 -10.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.103 -7.097 -8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.886 -6.352 -9.807 1.00 0.00 H new ATOM 748 N ALA A 51 6.532 -4.097 -2.948 1.00 0.00 N ATOM 749 CA ALA A 51 5.373 -4.563 -2.197 1.00 0.00 C ATOM 750 C ALA A 51 4.389 -3.425 -1.945 1.00 0.00 C ATOM 751 O ALA A 51 3.179 -3.591 -2.108 1.00 0.00 O ATOM 752 CB ALA A 51 5.813 -5.184 -0.879 1.00 0.00 C ATOM 0 H ALA A 51 7.413 -4.142 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 51 4.866 -5.322 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.937 -5.528 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.472 -6.029 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.345 -4.440 -0.286 1.00 0.00 H new ATOM 758 N ILE A 52 4.914 -2.272 -1.546 1.00 0.00 N ATOM 759 CA ILE A 52 4.081 -1.108 -1.272 1.00 0.00 C ATOM 760 C ILE A 52 3.160 -0.802 -2.448 1.00 0.00 C ATOM 761 O ILE A 52 1.943 -0.956 -2.354 1.00 0.00 O ATOM 762 CB ILE A 52 4.936 0.136 -0.967 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.071 -0.221 -0.005 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.070 1.244 -0.384 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.754 0.986 0.599 1.00 0.00 C ATOM 0 H ILE A 52 5.913 -2.119 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 52 3.479 -1.349 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 52 5.374 0.495 -1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.674 -0.843 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.811 -0.819 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.688 2.117 -0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.293 1.514 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.607 0.896 0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.547 0.657 1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.181 1.598 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.026 1.574 1.158 1.00 0.00 H new ATOM 777 N GLY A 53 3.750 -0.369 -3.558 1.00 0.00 N ATOM 778 CA GLY A 53 2.968 -0.049 -4.738 1.00 0.00 C ATOM 779 C GLY A 53 1.809 -1.005 -4.941 1.00 0.00 C ATOM 780 O GLY A 53 0.690 -0.583 -5.235 1.00 0.00 O ATOM 0 H GLY A 53 4.756 -0.234 -3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.586 0.968 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.614 -0.074 -5.616 1.00 0.00 H new ATOM 784 N THR A 54 2.076 -2.298 -4.787 1.00 0.00 N ATOM 785 CA THR A 54 1.048 -3.317 -4.958 1.00 0.00 C ATOM 786 C THR A 54 -0.197 -2.983 -4.143 1.00 0.00 C ATOM 787 O THR A 54 -1.313 -3.008 -4.660 1.00 0.00 O ATOM 788 CB THR A 54 1.561 -4.708 -4.544 1.00 0.00 C ATOM 789 OG1 THR A 54 2.772 -5.013 -5.245 1.00 0.00 O ATOM 790 CG2 THR A 54 0.519 -5.778 -4.833 1.00 0.00 C ATOM 0 H THR A 54 2.996 -2.664 -4.544 1.00 0.00 H new ATOM 0 HA THR A 54 0.792 -3.334 -6.017 1.00 0.00 H new ATOM 0 HB THR A 54 1.756 -4.694 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.520 -4.538 -4.827 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.905 -6.752 -4.532 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.391 -5.560 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.296 -5.790 -5.900 1.00 0.00 H new ATOM 798 N ALA A 55 0.003 -2.671 -2.867 1.00 0.00 N ATOM 799 CA ALA A 55 -1.104 -2.331 -1.982 1.00 0.00 C ATOM 800 C ALA A 55 -1.799 -1.053 -2.439 1.00 0.00 C ATOM 801 O ALA A 55 -3.008 -1.043 -2.677 1.00 0.00 O ATOM 802 CB ALA A 55 -0.608 -2.181 -0.551 1.00 0.00 C ATOM 0 H ALA A 55 0.921 -2.647 -2.423 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.831 -3.143 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.445 -1.927 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.163 -3.119 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.140 -1.389 -0.506 1.00 0.00 H new ATOM 808 N TYR A 56 -1.030 0.023 -2.560 1.00 0.00 N ATOM 809 CA TYR A 56 -1.573 1.307 -2.986 1.00 0.00 C ATOM 810 C TYR A 56 -2.417 1.150 -4.248 1.00 0.00 C ATOM 811 O TYR A 56 -3.521 1.686 -4.341 1.00 0.00 O ATOM 812 CB TYR A 56 -0.442 2.305 -3.237 1.00 0.00 C ATOM 813 CG TYR A 56 -0.924 3.667 -3.685 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.508 4.550 -2.785 1.00 0.00 C ATOM 815 CD2 TYR A 56 -0.794 4.070 -5.008 1.00 0.00 C ATOM 816 CE1 TYR A 56 -1.950 5.794 -3.191 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.232 5.313 -5.422 1.00 0.00 C ATOM 818 CZ TYR A 56 -1.810 6.171 -4.510 1.00 0.00 C ATOM 819 OH TYR A 56 -2.248 7.411 -4.918 1.00 0.00 O ATOM 0 H TYR A 56 -0.028 0.032 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.212 1.685 -2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.141 2.418 -2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.228 1.899 -3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.618 4.259 -1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.343 3.400 -5.725 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.403 6.468 -2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.122 5.611 -6.454 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.074 7.520 -5.876 1.00 0.00 H new ATOM 829 N ALA A 57 -1.888 0.410 -5.217 1.00 0.00 N ATOM 830 CA ALA A 57 -2.592 0.179 -6.472 1.00 0.00 C ATOM 831 C ALA A 57 -3.990 -0.378 -6.223 1.00 0.00 C ATOM 832 O ALA A 57 -4.959 0.046 -6.853 1.00 0.00 O ATOM 833 CB ALA A 57 -1.795 -0.767 -7.358 1.00 0.00 C ATOM 0 H ALA A 57 -0.974 -0.040 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.696 1.136 -6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.333 -0.931 -8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.820 -0.330 -7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.661 -1.719 -6.845 1.00 0.00 H new ATOM 839 N VAL A 58 -4.087 -1.332 -5.302 1.00 0.00 N ATOM 840 CA VAL A 58 -5.366 -1.947 -4.970 1.00 0.00 C ATOM 841 C VAL A 58 -6.350 -0.913 -4.434 1.00 0.00 C ATOM 842 O VAL A 58 -7.317 -0.553 -5.106 1.00 0.00 O ATOM 843 CB VAL A 58 -5.196 -3.067 -3.927 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.550 -3.627 -3.519 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.296 -4.167 -4.469 1.00 0.00 C ATOM 0 H VAL A 58 -3.294 -1.695 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.760 -2.376 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.722 -2.645 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.410 -4.417 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.158 -2.832 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.054 -4.034 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.187 -4.950 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.739 -4.588 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.316 -3.752 -4.706 1.00 0.00 H new ATOM 855 N LEU A 59 -6.097 -0.439 -3.219 1.00 0.00 N ATOM 856 CA LEU A 59 -6.961 0.556 -2.591 1.00 0.00 C ATOM 857 C LEU A 59 -7.151 1.765 -3.501 1.00 0.00 C ATOM 858 O LEU A 59 -8.278 2.165 -3.792 1.00 0.00 O ATOM 859 CB LEU A 59 -6.371 0.999 -1.251 1.00 0.00 C ATOM 860 CG LEU A 59 -5.993 -0.121 -0.281 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.183 0.431 0.882 1.00 0.00 C ATOM 862 CD2 LEU A 59 -7.240 -0.831 0.225 1.00 0.00 C ATOM 0 H LEU A 59 -5.302 -0.727 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.935 0.098 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.481 1.597 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.091 1.652 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.377 -0.845 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.923 -0.380 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.271 0.893 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.773 1.176 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.952 -1.625 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.881 -0.117 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.781 -1.261 -0.618 1.00 0.00 H new ATOM 874 N SER A 60 -6.040 2.342 -3.949 1.00 0.00 N ATOM 875 CA SER A 60 -6.084 3.506 -4.826 1.00 0.00 C ATOM 876 C SER A 60 -7.225 3.388 -5.831 1.00 0.00 C ATOM 877 O SER A 60 -7.758 4.391 -6.303 1.00 0.00 O ATOM 878 CB SER A 60 -4.753 3.665 -5.564 1.00 0.00 C ATOM 879 OG SER A 60 -4.782 4.787 -6.430 1.00 0.00 O ATOM 0 H SER A 60 -5.099 2.022 -3.719 1.00 0.00 H new ATOM 0 HA SER A 60 -6.257 4.388 -4.209 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.944 3.779 -4.842 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.542 2.763 -6.139 1.00 0.00 H new ATOM 0 HG SER A 60 -3.920 4.868 -6.889 1.00 0.00 H new ATOM 885 N ASN A 61 -7.596 2.152 -6.152 1.00 0.00 N ATOM 886 CA ASN A 61 -8.674 1.901 -7.102 1.00 0.00 C ATOM 887 C ASN A 61 -9.970 1.554 -6.374 1.00 0.00 C ATOM 888 O ASN A 61 -9.974 0.851 -5.364 1.00 0.00 O ATOM 889 CB ASN A 61 -8.290 0.765 -8.052 1.00 0.00 C ATOM 890 CG ASN A 61 -8.929 0.913 -9.419 1.00 0.00 C ATOM 891 OD1 ASN A 61 -8.686 1.890 -10.128 1.00 0.00 O ATOM 892 ND2 ASN A 61 -9.753 -0.058 -9.796 1.00 0.00 N ATOM 0 H ASN A 61 -7.167 1.310 -5.769 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.835 2.811 -7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.206 0.738 -8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.590 -0.187 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.213 -0.012 -10.705 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.926 -0.850 -9.176 1.00 0.00 H new ATOM 899 N PRO A 62 -11.096 2.059 -6.899 1.00 0.00 N ATOM 900 CA PRO A 62 -12.419 1.815 -6.317 1.00 0.00 C ATOM 901 C PRO A 62 -12.871 0.369 -6.489 1.00 0.00 C ATOM 902 O PRO A 62 -13.539 -0.189 -5.619 1.00 0.00 O ATOM 903 CB PRO A 62 -13.332 2.758 -7.105 1.00 0.00 C ATOM 904 CG PRO A 62 -12.637 2.959 -8.407 1.00 0.00 C ATOM 905 CD PRO A 62 -11.165 2.905 -8.102 1.00 0.00 C ATOM 0 HA PRO A 62 -12.429 1.989 -5.241 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.321 2.323 -7.248 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.472 3.703 -6.581 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.916 2.185 -9.122 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.909 3.917 -8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.599 2.475 -8.928 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.756 3.899 -7.918 1.00 0.00 H new ATOM 913 N GLU A 63 -12.500 -0.232 -7.615 1.00 0.00 N ATOM 914 CA GLU A 63 -12.869 -1.614 -7.899 1.00 0.00 C ATOM 915 C GLU A 63 -12.028 -2.583 -7.072 1.00 0.00 C ATOM 916 O GLU A 63 -12.548 -3.536 -6.492 1.00 0.00 O ATOM 917 CB GLU A 63 -12.695 -1.916 -9.389 1.00 0.00 C ATOM 918 CG GLU A 63 -13.375 -3.200 -9.834 1.00 0.00 C ATOM 919 CD GLU A 63 -13.338 -3.389 -11.338 1.00 0.00 C ATOM 920 OE1 GLU A 63 -14.277 -2.922 -12.016 1.00 0.00 O ATOM 921 OE2 GLU A 63 -12.373 -4.004 -11.836 1.00 0.00 O ATOM 0 H GLU A 63 -11.945 0.216 -8.344 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.917 -1.746 -7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.094 -1.084 -9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.631 -1.981 -9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.890 -4.049 -9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.412 -3.193 -9.498 1.00 0.00 H new ATOM 928 N LYS A 64 -10.724 -2.332 -7.024 1.00 0.00 N ATOM 929 CA LYS A 64 -9.808 -3.179 -6.268 1.00 0.00 C ATOM 930 C LYS A 64 -9.918 -2.900 -4.773 1.00 0.00 C ATOM 931 O LYS A 64 -9.463 -3.694 -3.949 1.00 0.00 O ATOM 932 CB LYS A 64 -8.369 -2.954 -6.736 1.00 0.00 C ATOM 933 CG LYS A 64 -8.126 -3.367 -8.178 1.00 0.00 C ATOM 934 CD LYS A 64 -6.646 -3.359 -8.518 1.00 0.00 C ATOM 935 CE LYS A 64 -6.321 -4.359 -9.617 1.00 0.00 C ATOM 936 NZ LYS A 64 -6.114 -5.731 -9.075 1.00 0.00 N ATOM 0 H LYS A 64 -10.277 -1.548 -7.500 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.083 -4.219 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.120 -1.899 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.694 -3.513 -6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.533 -4.364 -8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.657 -2.689 -8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.350 -2.359 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.065 -3.595 -7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.132 -4.375 -10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.424 -4.038 -10.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.895 -6.383 -9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.324 -5.722 -8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.979 -6.048 -8.592 1.00 0.00 H new ATOM 950 N ARG A 65 -10.524 -1.768 -4.429 1.00 0.00 N ATOM 951 CA ARG A 65 -10.693 -1.385 -3.033 1.00 0.00 C ATOM 952 C ARG A 65 -11.993 -1.948 -2.468 1.00 0.00 C ATOM 953 O ARG A 65 -12.001 -2.585 -1.414 1.00 0.00 O ATOM 954 CB ARG A 65 -10.682 0.139 -2.895 1.00 0.00 C ATOM 955 CG ARG A 65 -10.948 0.624 -1.479 1.00 0.00 C ATOM 956 CD ARG A 65 -10.590 2.093 -1.317 1.00 0.00 C ATOM 957 NE ARG A 65 -10.921 2.594 0.014 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.139 2.985 0.371 1.00 0.00 C ATOM 959 NH1 ARG A 65 -13.137 2.933 -0.501 1.00 0.00 N ATOM 960 NH2 ARG A 65 -12.361 3.428 1.601 1.00 0.00 N ATOM 0 H ARG A 65 -10.906 -1.100 -5.099 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.860 -1.801 -2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.715 0.518 -3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.434 0.561 -3.562 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.000 0.475 -1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.369 0.027 -0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.524 2.229 -1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.120 2.680 -2.067 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.175 2.647 0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.970 2.592 -1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.072 3.234 -0.225 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.596 3.469 2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.297 3.728 1.874 1.00 0.00 H new ATOM 974 N LYS A 66 -13.092 -1.710 -3.175 1.00 0.00 N ATOM 975 CA LYS A 66 -14.399 -2.193 -2.746 1.00 0.00 C ATOM 976 C LYS A 66 -14.365 -3.696 -2.488 1.00 0.00 C ATOM 977 O LYS A 66 -15.010 -4.190 -1.563 1.00 0.00 O ATOM 978 CB LYS A 66 -15.457 -1.870 -3.804 1.00 0.00 C ATOM 979 CG LYS A 66 -15.282 -2.648 -5.097 1.00 0.00 C ATOM 980 CD LYS A 66 -16.518 -2.554 -5.976 1.00 0.00 C ATOM 981 CE LYS A 66 -16.745 -1.132 -6.467 1.00 0.00 C ATOM 982 NZ LYS A 66 -17.987 -1.018 -7.281 1.00 0.00 N ATOM 0 H LYS A 66 -13.104 -1.185 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.658 -1.688 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.445 -2.081 -3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.424 -0.803 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.418 -2.264 -5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.076 -3.694 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.410 -3.222 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.391 -2.891 -5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.808 -0.458 -5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.890 -0.813 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.106 -0.034 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.917 -1.642 -8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.806 -1.298 -6.705 1.00 0.00 H new ATOM 996 N GLN A 67 -13.609 -4.416 -3.310 1.00 0.00 N ATOM 997 CA GLN A 67 -13.491 -5.863 -3.169 1.00 0.00 C ATOM 998 C GLN A 67 -12.668 -6.224 -1.937 1.00 0.00 C ATOM 999 O GLN A 67 -12.932 -7.228 -1.275 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.852 -6.468 -4.420 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.425 -6.003 -4.660 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.799 -6.647 -5.881 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -11.490 -6.986 -6.842 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.483 -6.821 -5.849 1.00 0.00 N ATOM 0 H GLN A 67 -13.069 -4.022 -4.080 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.493 -6.274 -3.047 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.861 -7.555 -4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.459 -6.212 -5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.415 -4.920 -4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.820 -6.232 -3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.949 -6.525 -5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.006 -7.251 -6.642 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.671 -5.401 -1.636 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.807 -5.635 -0.485 1.00 0.00 C ATOM 1015 C TYR A 68 -11.543 -5.342 0.818 1.00 0.00 C ATOM 1016 O TYR A 68 -11.372 -6.045 1.814 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.550 -4.769 -0.580 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.574 -4.992 0.554 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.968 -6.228 0.741 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.258 -3.967 1.437 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -7.076 -6.437 1.775 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.366 -4.167 2.473 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.778 -5.404 2.638 1.00 0.00 C ATOM 1024 OH TYR A 68 -5.891 -5.607 3.670 1.00 0.00 O ATOM 0 H TYR A 68 -11.440 -4.565 -2.173 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.517 -6.686 -0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.048 -4.974 -1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.843 -3.719 -0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.198 -7.039 0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.717 -2.998 1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.615 -7.405 1.907 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.130 -3.359 3.150 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.297 -6.196 4.340 1.00 0.00 H new