USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 523 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 39 THR OG1 : rot -56:sc= 0.928 USER MOD Set 1.2: A 69 THR OG1 : rot 82:sc= 1.27 USER MOD Set 2.1: A 14 THR OG1 : rot 58:sc= 1.59 USER MOD Set 2.2: A 17 SER OG : rot -85:sc= 0.614 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.822 USER MOD Single : A 21 SER OG : rot -120:sc= -0.821 USER MOD Single : A 31 TYR OH : rot 0:sc= 1.03 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 6:sc= -0.639! USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= -0.264 (180deg=-1.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.389 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 50:sc= -1.15 USER MOD Single : A 71 THR OG1 : rot 180:sc= -2.01 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.461 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.55! K(o=-1.6!,f=-0.12) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 8.898 2.272 -6.244 1.00 0.00 N ATOM 109 CA LEU A 8 8.282 0.935 -6.061 1.00 0.00 C ATOM 110 C LEU A 8 9.325 -0.065 -5.574 1.00 0.00 C ATOM 111 O LEU A 8 10.425 -0.112 -6.086 1.00 0.00 O ATOM 112 CB LEU A 8 7.731 0.453 -7.422 1.00 0.00 C ATOM 113 CG LEU A 8 6.792 1.519 -8.014 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.184 1.785 -9.468 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.351 1.008 -7.965 1.00 0.00 C ATOM 0 HA LEU A 8 7.482 1.007 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.554 0.259 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.194 -0.487 -7.295 1.00 0.00 H new ATOM 0 HG LEU A 8 6.874 2.440 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.521 2.540 -9.891 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.213 2.142 -9.508 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.098 0.863 -10.043 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.683 1.761 -8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.271 0.089 -8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.070 0.809 -6.931 1.00 0.00 H new ATOM 127 N GLU A 9 8.968 -0.843 -4.589 1.00 0.00 N ATOM 128 CA GLU A 9 9.936 -1.838 -4.068 1.00 0.00 C ATOM 129 C GLU A 9 9.260 -2.814 -3.116 1.00 0.00 C ATOM 130 O GLU A 9 8.348 -2.455 -2.396 1.00 0.00 O ATOM 131 CB GLU A 9 11.039 -1.087 -3.307 1.00 0.00 C ATOM 132 CG GLU A 9 12.321 -1.921 -3.329 1.00 0.00 C ATOM 133 CD GLU A 9 13.243 -1.465 -2.194 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.851 -0.422 -2.379 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.287 -2.182 -1.210 1.00 0.00 O ATOM 0 H GLU A 9 8.058 -0.831 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 9 10.348 -2.402 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.216 -0.114 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.728 -0.903 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.082 -2.978 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.825 -1.809 -4.289 1.00 0.00 H new ATOM 142 N VAL A 10 9.719 -4.036 -3.133 1.00 0.00 N ATOM 143 CA VAL A 10 9.120 -5.055 -2.238 1.00 0.00 C ATOM 144 C VAL A 10 9.765 -5.008 -0.860 1.00 0.00 C ATOM 145 O VAL A 10 10.943 -5.269 -0.715 1.00 0.00 O ATOM 146 CB VAL A 10 9.369 -6.443 -2.848 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.911 -7.515 -1.857 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.565 -6.577 -4.142 1.00 0.00 C ATOM 0 H VAL A 10 10.479 -4.368 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 10 8.053 -4.855 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 10 10.431 -6.567 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.085 -8.503 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.474 -7.416 -0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.848 -7.390 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.739 -7.561 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.503 -6.459 -3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.879 -5.807 -4.847 1.00 0.00 H new ATOM 158 N VAL A 11 8.983 -4.677 0.133 1.00 0.00 N ATOM 159 CA VAL A 11 9.545 -4.611 1.505 1.00 0.00 C ATOM 160 C VAL A 11 9.417 -5.954 2.205 1.00 0.00 C ATOM 161 O VAL A 11 10.101 -6.220 3.172 1.00 0.00 O ATOM 162 CB VAL A 11 8.764 -3.551 2.303 1.00 0.00 C ATOM 163 CG1 VAL A 11 8.990 -3.771 3.801 1.00 0.00 C ATOM 164 CG2 VAL A 11 9.275 -2.162 1.920 1.00 0.00 C ATOM 0 H VAL A 11 7.991 -4.453 0.052 1.00 0.00 H new ATOM 0 HA VAL A 11 10.602 -4.350 1.446 1.00 0.00 H new ATOM 0 HB VAL A 11 7.701 -3.633 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.437 -3.021 4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.641 -4.765 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.053 -3.684 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.727 -1.405 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.337 -2.088 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.126 -2.001 0.852 1.00 0.00 H new ATOM 174 N ALA A 12 8.550 -6.778 1.702 1.00 0.00 N ATOM 175 CA ALA A 12 8.366 -8.110 2.328 1.00 0.00 C ATOM 176 C ALA A 12 7.450 -8.989 1.487 1.00 0.00 C ATOM 177 O ALA A 12 6.683 -8.501 0.681 1.00 0.00 O ATOM 178 CB ALA A 12 7.727 -7.915 3.713 1.00 0.00 C ATOM 0 H ALA A 12 7.963 -6.589 0.889 1.00 0.00 H new ATOM 0 HA ALA A 12 9.338 -8.597 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.584 -8.886 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.381 -7.301 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.762 -7.420 3.602 1.00 0.00 H new ATOM 184 N ALA A 13 7.552 -10.274 1.693 1.00 0.00 N ATOM 185 CA ALA A 13 6.700 -11.212 0.919 1.00 0.00 C ATOM 186 C ALA A 13 6.495 -12.510 1.695 1.00 0.00 C ATOM 187 O ALA A 13 7.169 -13.494 1.452 1.00 0.00 O ATOM 188 CB ALA A 13 7.410 -11.531 -0.408 1.00 0.00 C ATOM 0 H ALA A 13 8.187 -10.711 2.362 1.00 0.00 H new ATOM 0 HA ALA A 13 5.728 -10.752 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.799 -12.220 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.558 -10.610 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.377 -11.990 -0.202 1.00 0.00 H new ATOM 194 N THR A 14 5.569 -12.491 2.619 1.00 0.00 N ATOM 195 CA THR A 14 5.312 -13.716 3.418 1.00 0.00 C ATOM 196 C THR A 14 4.480 -14.731 2.602 1.00 0.00 C ATOM 197 O THR A 14 3.841 -14.367 1.636 1.00 0.00 O ATOM 198 CB THR A 14 4.515 -13.310 4.669 1.00 0.00 C ATOM 199 OG1 THR A 14 4.034 -12.010 4.397 1.00 0.00 O ATOM 200 CG2 THR A 14 5.443 -13.127 5.885 1.00 0.00 C ATOM 0 H THR A 14 4.987 -11.686 2.850 1.00 0.00 H new ATOM 0 HA THR A 14 6.260 -14.180 3.689 1.00 0.00 H new ATOM 0 HB THR A 14 3.756 -14.064 4.880 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.494 -12.025 3.579 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.851 -12.840 6.754 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.961 -14.064 6.092 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.174 -12.348 5.671 1.00 0.00 H new ATOM 208 N PRO A 15 4.506 -16.001 3.010 1.00 0.00 N ATOM 209 CA PRO A 15 3.753 -17.042 2.308 1.00 0.00 C ATOM 210 C PRO A 15 2.247 -16.786 2.361 1.00 0.00 C ATOM 211 O PRO A 15 1.467 -17.586 1.884 1.00 0.00 O ATOM 212 CB PRO A 15 4.068 -18.345 3.077 1.00 0.00 C ATOM 213 CG PRO A 15 4.917 -17.955 4.323 1.00 0.00 C ATOM 214 CD PRO A 15 5.274 -16.470 4.180 1.00 0.00 C ATOM 0 HA PRO A 15 4.031 -17.079 1.255 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.148 -18.844 3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.615 -19.043 2.443 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.356 -18.129 5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.819 -18.564 4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.006 -15.912 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.345 -16.335 4.029 1.00 0.00 H new ATOM 222 N THR A 16 1.862 -15.675 2.934 1.00 0.00 N ATOM 223 CA THR A 16 0.409 -15.375 3.015 1.00 0.00 C ATOM 224 C THR A 16 0.140 -13.874 3.071 1.00 0.00 C ATOM 225 O THR A 16 -0.876 -13.448 3.583 1.00 0.00 O ATOM 226 CB THR A 16 -0.133 -16.009 4.299 1.00 0.00 C ATOM 227 OG1 THR A 16 0.567 -17.229 4.438 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.600 -16.422 4.128 1.00 0.00 C ATOM 0 H THR A 16 2.482 -14.975 3.342 1.00 0.00 H new ATOM 0 HA THR A 16 -0.077 -15.774 2.124 1.00 0.00 H new ATOM 0 HB THR A 16 -0.028 -15.309 5.128 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.266 -17.689 5.249 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.962 -16.870 5.053 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.200 -15.543 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.682 -17.147 3.318 1.00 0.00 H new ATOM 236 N SER A 17 1.047 -13.093 2.549 1.00 0.00 N ATOM 237 CA SER A 17 0.832 -11.621 2.576 1.00 0.00 C ATOM 238 C SER A 17 2.001 -10.880 1.942 1.00 0.00 C ATOM 239 O SER A 17 3.146 -11.142 2.254 1.00 0.00 O ATOM 240 CB SER A 17 0.708 -11.168 4.041 1.00 0.00 C ATOM 241 OG SER A 17 1.767 -10.238 4.204 1.00 0.00 O ATOM 0 H SER A 17 1.914 -13.405 2.112 1.00 0.00 H new ATOM 0 HA SER A 17 -0.073 -11.394 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.261 -10.708 4.236 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.806 -12.008 4.728 1.00 0.00 H new ATOM 0 HG SER A 17 2.592 -10.717 4.428 1.00 0.00 H new ATOM 247 N LEU A 18 1.682 -9.960 1.062 1.00 0.00 N ATOM 248 CA LEU A 18 2.747 -9.175 0.382 1.00 0.00 C ATOM 249 C LEU A 18 2.648 -7.702 0.759 1.00 0.00 C ATOM 250 O LEU A 18 1.569 -7.141 0.788 1.00 0.00 O ATOM 251 CB LEU A 18 2.553 -9.313 -1.137 1.00 0.00 C ATOM 252 CG LEU A 18 3.780 -8.737 -1.860 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.729 -9.878 -2.229 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.329 -8.031 -3.139 1.00 0.00 C ATOM 0 H LEU A 18 0.728 -9.723 0.789 1.00 0.00 H new ATOM 0 HA LEU A 18 3.724 -9.551 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.418 -10.361 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.652 -8.786 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 18 4.289 -8.028 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.601 -9.474 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.048 -10.394 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.215 -10.581 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.198 -7.621 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.824 -8.745 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.643 -7.223 -2.886 1.00 0.00 H new ATOM 266 N LEU A 19 3.784 -7.105 1.039 1.00 0.00 N ATOM 267 CA LEU A 19 3.796 -5.662 1.419 1.00 0.00 C ATOM 268 C LEU A 19 4.627 -4.855 0.425 1.00 0.00 C ATOM 269 O LEU A 19 5.821 -5.062 0.303 1.00 0.00 O ATOM 270 CB LEU A 19 4.446 -5.536 2.824 1.00 0.00 C ATOM 271 CG LEU A 19 3.579 -4.660 3.764 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.177 -3.351 3.050 1.00 0.00 C ATOM 273 CD2 LEU A 19 2.324 -5.448 4.194 1.00 0.00 C ATOM 0 H LEU A 19 4.699 -7.556 1.020 1.00 0.00 H new ATOM 0 HA LEU A 19 2.775 -5.280 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.572 -6.527 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.440 -5.100 2.730 1.00 0.00 H new ATOM 0 HG LEU A 19 4.157 -4.404 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.568 -2.743 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.074 -2.797 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.604 -3.587 2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.716 -4.831 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.743 -5.717 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.626 -6.354 4.720 1.00 0.00 H new ATOM 285 N ILE A 20 3.976 -3.944 -0.266 1.00 0.00 N ATOM 286 CA ILE A 20 4.704 -3.104 -1.263 1.00 0.00 C ATOM 287 C ILE A 20 4.788 -1.654 -0.804 1.00 0.00 C ATOM 288 O ILE A 20 4.008 -1.214 0.016 1.00 0.00 O ATOM 289 CB ILE A 20 3.944 -3.165 -2.596 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.480 -2.771 -2.400 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.999 -4.612 -3.113 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.040 -1.893 -3.578 1.00 0.00 C ATOM 0 H ILE A 20 2.978 -3.750 -0.180 1.00 0.00 H new ATOM 0 HA ILE A 20 5.719 -3.487 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 20 4.402 -2.474 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.855 -3.662 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.357 -2.231 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.465 -4.680 -4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.038 -4.907 -3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.533 -5.276 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.996 -1.606 -3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.660 -0.998 -3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.150 -2.450 -4.508 1.00 0.00 H new ATOM 304 N SER A 21 5.737 -0.937 -1.342 1.00 0.00 N ATOM 305 CA SER A 21 5.886 0.483 -0.948 1.00 0.00 C ATOM 306 C SER A 21 6.458 1.305 -2.089 1.00 0.00 C ATOM 307 O SER A 21 7.419 0.906 -2.723 1.00 0.00 O ATOM 308 CB SER A 21 6.851 0.550 0.244 1.00 0.00 C ATOM 309 OG SER A 21 7.087 -0.810 0.576 1.00 0.00 O ATOM 0 H SER A 21 6.408 -1.274 -2.032 1.00 0.00 H new ATOM 0 HA SER A 21 4.908 0.887 -0.687 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.776 1.062 -0.021 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.413 1.094 1.081 1.00 0.00 H new ATOM 0 HG SER A 21 6.801 -0.976 1.498 1.00 0.00 H new ATOM 315 N TRP A 22 5.851 2.444 -2.336 1.00 0.00 N ATOM 316 CA TRP A 22 6.347 3.312 -3.435 1.00 0.00 C ATOM 317 C TRP A 22 6.351 4.784 -3.020 1.00 0.00 C ATOM 318 O TRP A 22 6.577 5.099 -1.868 1.00 0.00 O ATOM 319 CB TRP A 22 5.462 3.097 -4.699 1.00 0.00 C ATOM 320 CG TRP A 22 4.129 3.858 -4.600 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.866 4.979 -5.260 1.00 0.00 C ATOM 322 CD2 TRP A 22 3.085 3.468 -3.898 1.00 0.00 C ATOM 323 NE1 TRP A 22 2.597 5.262 -4.919 1.00 0.00 N ATOM 324 CE2 TRP A 22 2.026 4.349 -4.051 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.932 2.351 -3.095 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.829 4.118 -3.400 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.735 2.123 -2.445 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.685 3.004 -2.598 1.00 0.00 C ATOM 0 H TRP A 22 5.043 2.801 -1.826 1.00 0.00 H new ATOM 0 HA TRP A 22 7.377 3.037 -3.664 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.005 3.429 -5.584 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.264 2.033 -4.827 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.519 5.534 -5.917 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.098 6.080 -5.270 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.750 1.656 -2.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.007 4.808 -3.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.621 1.253 -1.815 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.251 2.822 -2.090 1.00 0.00 H new ATOM 415 N VAL A 29 -3.781 15.348 -4.488 1.00 0.00 N ATOM 416 CA VAL A 29 -4.091 14.066 -5.181 1.00 0.00 C ATOM 417 C VAL A 29 -5.484 13.576 -4.808 1.00 0.00 C ATOM 418 O VAL A 29 -5.926 13.754 -3.692 1.00 0.00 O ATOM 419 CB VAL A 29 -3.059 13.008 -4.739 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.178 11.769 -5.636 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.655 13.592 -4.877 1.00 0.00 C ATOM 0 HA VAL A 29 -4.050 14.225 -6.259 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.245 12.727 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.449 11.022 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.182 11.354 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.988 12.050 -6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.920 12.850 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.476 13.867 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.565 14.477 -4.247 1.00 0.00 H new ATOM 431 N ARG A 30 -6.155 12.971 -5.749 1.00 0.00 N ATOM 432 CA ARG A 30 -7.516 12.469 -5.450 1.00 0.00 C ATOM 433 C ARG A 30 -7.459 11.059 -4.872 1.00 0.00 C ATOM 434 O ARG A 30 -7.663 10.868 -3.689 1.00 0.00 O ATOM 435 CB ARG A 30 -8.332 12.444 -6.755 1.00 0.00 C ATOM 436 CG ARG A 30 -8.534 13.883 -7.251 1.00 0.00 C ATOM 437 CD ARG A 30 -10.020 14.254 -7.168 1.00 0.00 C ATOM 438 NE ARG A 30 -10.443 14.260 -5.741 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.404 15.062 -5.363 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.172 16.343 -5.305 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.568 14.555 -5.062 1.00 0.00 N ATOM 0 H ARG A 30 -5.822 12.806 -6.699 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.982 13.127 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.813 11.855 -7.511 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.297 11.966 -6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.943 14.572 -6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.183 13.977 -8.279 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.188 15.234 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.618 13.540 -7.734 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.988 13.645 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.252 16.706 -5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.911 16.982 -5.012 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.717 13.548 -5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.329 15.166 -4.765 1.00 0.00 H new ATOM 455 N TYR A 31 -7.175 10.092 -5.713 1.00 0.00 N ATOM 456 CA TYR A 31 -7.107 8.692 -5.207 1.00 0.00 C ATOM 457 C TYR A 31 -6.061 7.868 -5.948 1.00 0.00 C ATOM 458 O TYR A 31 -5.551 8.257 -6.986 1.00 0.00 O ATOM 459 CB TYR A 31 -8.476 8.015 -5.421 1.00 0.00 C ATOM 460 CG TYR A 31 -9.597 9.040 -5.283 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.904 9.579 -4.054 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.327 9.431 -6.387 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.927 10.495 -3.928 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.349 10.347 -6.262 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.656 10.886 -5.032 1.00 0.00 C ATOM 466 OH TYR A 31 -12.676 11.800 -4.905 1.00 0.00 O ATOM 0 H TYR A 31 -6.991 10.212 -6.709 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.837 8.736 -4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.513 7.556 -6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.612 7.216 -4.693 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.340 9.282 -3.182 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.095 9.016 -7.357 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.159 10.909 -2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.913 10.644 -7.134 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.755 12.074 -3.967 1.00 0.00 H new ATOM 476 N TYR A 32 -5.785 6.734 -5.383 1.00 0.00 N ATOM 477 CA TYR A 32 -4.792 5.807 -5.969 1.00 0.00 C ATOM 478 C TYR A 32 -5.406 4.407 -6.030 1.00 0.00 C ATOM 479 O TYR A 32 -6.178 4.050 -5.159 1.00 0.00 O ATOM 480 CB TYR A 32 -3.586 5.753 -5.010 1.00 0.00 C ATOM 481 CG TYR A 32 -2.390 6.529 -5.569 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.307 7.900 -5.417 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.332 5.857 -6.151 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.179 8.583 -5.833 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.207 6.543 -6.566 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.124 7.911 -6.406 1.00 0.00 C ATOM 487 OH TYR A 32 1.014 8.591 -6.777 1.00 0.00 O ATOM 0 H TYR A 32 -6.217 6.404 -4.520 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.496 6.136 -6.965 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.870 6.167 -4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.301 4.715 -4.841 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.128 8.441 -4.971 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.385 4.786 -6.283 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.126 9.654 -5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.613 6.005 -7.019 1.00 0.00 H new ATOM 0 HH TYR A 32 1.659 7.963 -7.164 1.00 0.00 H new ATOM 497 N ARG A 33 -5.077 3.638 -7.049 1.00 0.00 N ATOM 498 CA ARG A 33 -5.668 2.253 -7.126 1.00 0.00 C ATOM 499 C ARG A 33 -4.614 1.232 -7.423 1.00 0.00 C ATOM 500 O ARG A 33 -3.939 1.296 -8.432 1.00 0.00 O ATOM 501 CB ARG A 33 -6.744 2.185 -8.231 1.00 0.00 C ATOM 502 CG ARG A 33 -7.821 1.166 -7.825 1.00 0.00 C ATOM 503 CD ARG A 33 -8.952 1.204 -8.846 1.00 0.00 C ATOM 504 NE ARG A 33 -9.631 2.525 -8.751 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.735 2.728 -9.412 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.806 2.071 -9.065 1.00 0.00 N ATOM 507 NH2 ARG A 33 -10.731 3.587 -10.394 1.00 0.00 N ATOM 0 H ARG A 33 -4.446 3.896 -7.808 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.116 2.037 -6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.193 3.167 -8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.291 1.895 -9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.392 0.165 -7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.203 1.399 -6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.560 1.051 -9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.662 0.399 -8.655 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.235 3.266 -8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.770 1.411 -8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.680 2.217 -9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.874 4.086 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.585 3.760 -10.924 1.00 0.00 H new ATOM 521 N ILE A 34 -4.494 0.294 -6.534 1.00 0.00 N ATOM 522 CA ILE A 34 -3.483 -0.765 -6.729 1.00 0.00 C ATOM 523 C ILE A 34 -4.116 -2.008 -7.334 1.00 0.00 C ATOM 524 O ILE A 34 -4.786 -2.763 -6.649 1.00 0.00 O ATOM 525 CB ILE A 34 -2.876 -1.136 -5.370 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.027 0.020 -4.838 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.960 -2.359 -5.572 1.00 0.00 C ATOM 528 CD1 ILE A 34 -2.910 1.247 -4.595 1.00 0.00 C ATOM 0 H ILE A 34 -5.052 0.217 -5.684 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.714 -0.392 -7.405 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.675 -1.352 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.536 -0.275 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.240 0.263 -5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.516 -2.642 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.546 -3.192 -5.961 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.170 -2.109 -6.280 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.299 2.066 -4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.380 1.548 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.681 1.002 -3.864 1.00 0.00 H new ATOM 540 N THR A 35 -3.904 -2.185 -8.616 1.00 0.00 N ATOM 541 CA THR A 35 -4.474 -3.370 -9.309 1.00 0.00 C ATOM 542 C THR A 35 -3.347 -4.318 -9.670 1.00 0.00 C ATOM 543 O THR A 35 -2.360 -3.906 -10.247 1.00 0.00 O ATOM 544 CB THR A 35 -5.173 -2.917 -10.608 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.153 -2.373 -11.408 1.00 0.00 O ATOM 546 CG2 THR A 35 -6.134 -1.735 -10.369 1.00 0.00 C ATOM 0 H THR A 35 -3.360 -1.557 -9.208 1.00 0.00 H new ATOM 0 HA THR A 35 -5.192 -3.866 -8.655 1.00 0.00 H new ATOM 0 HB THR A 35 -5.719 -3.762 -11.028 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.285 -2.519 -10.976 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.603 -1.451 -11.311 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.903 -2.030 -9.655 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.576 -0.887 -9.971 1.00 0.00 H new ATOM 554 N TYR A 36 -3.502 -5.573 -9.330 1.00 0.00 N ATOM 555 CA TYR A 36 -2.423 -6.548 -9.658 1.00 0.00 C ATOM 556 C TYR A 36 -2.990 -7.885 -10.118 1.00 0.00 C ATOM 557 O TYR A 36 -4.166 -8.166 -9.936 1.00 0.00 O ATOM 558 CB TYR A 36 -1.591 -6.773 -8.386 1.00 0.00 C ATOM 559 CG TYR A 36 -2.497 -7.326 -7.282 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.432 -6.515 -6.666 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.397 -8.644 -6.893 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.256 -7.020 -5.680 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.220 -9.149 -5.906 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.156 -8.341 -5.292 1.00 0.00 C ATOM 565 OH TYR A 36 -4.987 -8.848 -4.312 1.00 0.00 O ATOM 0 H TYR A 36 -4.314 -5.958 -8.848 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.819 -6.145 -10.471 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.777 -7.470 -8.588 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.136 -5.836 -8.064 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.518 -5.479 -6.958 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.669 -9.288 -7.364 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.984 -6.377 -5.209 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.131 -10.184 -5.612 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.780 -9.795 -4.165 1.00 0.00 H new ATOM 575 N GLY A 37 -2.134 -8.688 -10.712 1.00 0.00 N ATOM 576 CA GLY A 37 -2.588 -10.021 -11.200 1.00 0.00 C ATOM 577 C GLY A 37 -1.522 -10.667 -12.099 1.00 0.00 C ATOM 578 O GLY A 37 -0.605 -10.010 -12.549 1.00 0.00 O ATOM 0 H GLY A 37 -1.150 -8.475 -10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.797 -10.672 -10.351 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.520 -9.912 -11.755 1.00 0.00 H new ATOM 582 N GLU A 38 -1.669 -11.949 -12.337 1.00 0.00 N ATOM 583 CA GLU A 38 -0.696 -12.659 -13.190 1.00 0.00 C ATOM 584 C GLU A 38 -0.755 -12.163 -14.634 1.00 0.00 C ATOM 585 O GLU A 38 -1.806 -11.801 -15.128 1.00 0.00 O ATOM 586 CB GLU A 38 -1.059 -14.147 -13.164 1.00 0.00 C ATOM 587 CG GLU A 38 -1.001 -14.654 -11.722 1.00 0.00 C ATOM 588 CD GLU A 38 -2.421 -14.746 -11.160 1.00 0.00 C ATOM 589 OE1 GLU A 38 -3.055 -15.745 -11.456 1.00 0.00 O ATOM 590 OE2 GLU A 38 -2.788 -13.815 -10.466 1.00 0.00 O ATOM 0 H GLU A 38 -2.427 -12.525 -11.971 1.00 0.00 H new ATOM 0 HA GLU A 38 0.311 -12.481 -12.813 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.057 -14.297 -13.575 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.368 -14.713 -13.789 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.520 -15.631 -11.687 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.399 -13.981 -11.112 1.00 0.00 H new ATOM 597 N THR A 39 0.379 -12.156 -15.285 1.00 0.00 N ATOM 598 CA THR A 39 0.415 -11.689 -16.698 1.00 0.00 C ATOM 599 C THR A 39 -0.151 -12.737 -17.650 1.00 0.00 C ATOM 600 O THR A 39 -0.185 -12.526 -18.847 1.00 0.00 O ATOM 601 CB THR A 39 1.872 -11.435 -17.084 1.00 0.00 C ATOM 602 OG1 THR A 39 2.270 -10.313 -16.330 1.00 0.00 O ATOM 603 CG2 THR A 39 1.971 -10.975 -18.544 1.00 0.00 C ATOM 0 H THR A 39 1.276 -12.452 -14.900 1.00 0.00 H new ATOM 0 HA THR A 39 -0.189 -10.785 -16.776 1.00 0.00 H new ATOM 0 HB THR A 39 2.461 -12.338 -16.925 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.658 -9.568 -16.505 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.016 -10.799 -18.800 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.562 -11.746 -19.197 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.405 -10.052 -18.674 1.00 0.00 H new ATOM 664 N VAL A 45 -5.897 -10.481 -10.672 1.00 0.00 N ATOM 665 CA VAL A 45 -6.412 -10.878 -9.343 1.00 0.00 C ATOM 666 C VAL A 45 -7.509 -9.952 -8.882 1.00 0.00 C ATOM 667 O VAL A 45 -8.670 -10.308 -8.873 1.00 0.00 O ATOM 668 CB VAL A 45 -5.261 -10.794 -8.330 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.834 -10.842 -6.915 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.316 -11.973 -8.535 1.00 0.00 C ATOM 0 HA VAL A 45 -6.811 -11.890 -9.416 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.714 -9.862 -8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.021 -10.783 -6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.512 -10.002 -6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.378 -11.776 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.499 -11.914 -7.816 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.861 -12.906 -8.389 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.912 -11.944 -9.547 1.00 0.00 H new ATOM 680 N GLN A 46 -7.125 -8.778 -8.511 1.00 0.00 N ATOM 681 CA GLN A 46 -8.138 -7.805 -8.043 1.00 0.00 C ATOM 682 C GLN A 46 -7.538 -6.418 -7.909 1.00 0.00 C ATOM 683 O GLN A 46 -6.518 -6.117 -8.501 1.00 0.00 O ATOM 684 CB GLN A 46 -8.644 -8.260 -6.663 1.00 0.00 C ATOM 685 CG GLN A 46 -10.164 -8.072 -6.593 1.00 0.00 C ATOM 686 CD GLN A 46 -10.669 -8.505 -5.212 1.00 0.00 C ATOM 687 OE1 GLN A 46 -10.893 -7.692 -4.338 1.00 0.00 O ATOM 688 NE2 GLN A 46 -10.860 -9.775 -4.975 1.00 0.00 N ATOM 0 H GLN A 46 -6.160 -8.446 -8.509 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.951 -7.763 -8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.387 -9.306 -6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.158 -7.683 -5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.421 -7.029 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.650 -8.661 -7.371 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.674 -10.463 -5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.195 -10.078 -4.061 1.00 0.00 H new ATOM 697 N GLU A 47 -8.177 -5.596 -7.129 1.00 0.00 N ATOM 698 CA GLU A 47 -7.660 -4.227 -6.946 1.00 0.00 C ATOM 699 C GLU A 47 -8.400 -3.502 -5.818 1.00 0.00 C ATOM 700 O GLU A 47 -9.480 -3.898 -5.429 1.00 0.00 O ATOM 701 CB GLU A 47 -7.910 -3.459 -8.246 1.00 0.00 C ATOM 702 CG GLU A 47 -9.413 -3.390 -8.514 1.00 0.00 C ATOM 703 CD GLU A 47 -9.641 -3.137 -10.005 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.192 -3.973 -10.770 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.249 -2.121 -10.294 1.00 0.00 O ATOM 0 H GLU A 47 -9.030 -5.817 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.601 -4.277 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.496 -2.453 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.404 -3.952 -9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.892 -4.321 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.865 -2.593 -7.923 1.00 0.00 H new ATOM 712 N PHE A 48 -7.803 -2.455 -5.309 1.00 0.00 N ATOM 713 CA PHE A 48 -8.471 -1.699 -4.208 1.00 0.00 C ATOM 714 C PHE A 48 -8.027 -0.242 -4.211 1.00 0.00 C ATOM 715 O PHE A 48 -6.870 0.058 -4.434 1.00 0.00 O ATOM 716 CB PHE A 48 -8.110 -2.336 -2.854 1.00 0.00 C ATOM 717 CG PHE A 48 -6.601 -2.546 -2.762 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.993 -3.573 -3.460 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.824 -1.721 -1.966 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.632 -3.774 -3.360 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.463 -1.926 -1.869 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.869 -2.950 -2.565 1.00 0.00 C ATOM 0 H PHE A 48 -6.895 -2.095 -5.603 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.549 -1.739 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.447 -1.694 -2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.626 -3.290 -2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.587 -4.221 -4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.286 -0.913 -1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.164 -4.580 -3.907 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.864 -1.280 -1.245 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.803 -3.108 -2.488 1.00 0.00 H new ATOM 732 N THR A 49 -8.959 0.643 -3.961 1.00 0.00 N ATOM 733 CA THR A 49 -8.610 2.089 -3.948 1.00 0.00 C ATOM 734 C THR A 49 -8.020 2.510 -2.608 1.00 0.00 C ATOM 735 O THR A 49 -7.966 1.738 -1.671 1.00 0.00 O ATOM 736 CB THR A 49 -9.890 2.914 -4.192 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.705 2.681 -3.062 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.707 2.359 -5.373 1.00 0.00 C ATOM 0 H THR A 49 -9.937 0.426 -3.767 1.00 0.00 H new ATOM 0 HA THR A 49 -7.869 2.265 -4.728 1.00 0.00 H new ATOM 0 HB THR A 49 -9.618 3.953 -4.379 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.542 3.182 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.601 2.966 -5.514 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.102 2.388 -6.279 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.997 1.330 -5.163 1.00 0.00 H new ATOM 746 N VAL A 50 -7.576 3.736 -2.557 1.00 0.00 N ATOM 747 CA VAL A 50 -6.980 4.262 -1.308 1.00 0.00 C ATOM 748 C VAL A 50 -6.865 5.814 -1.416 1.00 0.00 C ATOM 749 O VAL A 50 -6.540 6.315 -2.475 1.00 0.00 O ATOM 750 CB VAL A 50 -5.567 3.644 -1.182 1.00 0.00 C ATOM 751 CG1 VAL A 50 -4.625 4.340 -2.159 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.039 3.819 0.246 1.00 0.00 C ATOM 0 H VAL A 50 -7.603 4.396 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.590 4.011 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.621 2.580 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.628 3.908 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.993 4.207 -3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.580 5.404 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.044 3.380 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.987 4.881 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.710 3.321 0.946 1.00 0.00 H new ATOM 762 N PRO A 51 -7.165 6.565 -0.332 1.00 0.00 N ATOM 763 CA PRO A 51 -7.072 8.040 -0.378 1.00 0.00 C ATOM 764 C PRO A 51 -5.637 8.544 -0.646 1.00 0.00 C ATOM 765 O PRO A 51 -5.279 9.633 -0.242 1.00 0.00 O ATOM 766 CB PRO A 51 -7.523 8.511 1.027 1.00 0.00 C ATOM 767 CG PRO A 51 -7.835 7.241 1.871 1.00 0.00 C ATOM 768 CD PRO A 51 -7.669 6.022 0.948 1.00 0.00 C ATOM 0 HA PRO A 51 -7.684 8.430 -1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.741 9.104 1.502 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.405 9.148 0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.159 7.171 2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.848 7.285 2.270 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.970 5.301 1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.617 5.503 0.808 1.00 0.00 H new ATOM 776 N GLY A 52 -4.854 7.757 -1.332 1.00 0.00 N ATOM 777 CA GLY A 52 -3.453 8.182 -1.626 1.00 0.00 C ATOM 778 C GLY A 52 -2.755 8.686 -0.359 1.00 0.00 C ATOM 779 O GLY A 52 -1.686 9.259 -0.426 1.00 0.00 O ATOM 0 H GLY A 52 -5.120 6.844 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.895 7.344 -2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.459 8.969 -2.380 1.00 0.00 H new ATOM 783 N SER A 53 -3.369 8.465 0.769 1.00 0.00 N ATOM 784 CA SER A 53 -2.748 8.926 2.034 1.00 0.00 C ATOM 785 C SER A 53 -1.616 7.997 2.443 1.00 0.00 C ATOM 786 O SER A 53 -0.592 8.436 2.928 1.00 0.00 O ATOM 787 CB SER A 53 -3.816 8.915 3.133 1.00 0.00 C ATOM 788 OG SER A 53 -3.822 10.247 3.625 1.00 0.00 O ATOM 0 H SER A 53 -4.266 7.989 0.867 1.00 0.00 H new ATOM 0 HA SER A 53 -2.347 9.929 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.792 8.632 2.738 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.571 8.201 3.919 1.00 0.00 H new ATOM 0 HG SER A 53 -4.488 10.329 4.340 1.00 0.00 H new ATOM 794 N LYS A 54 -1.822 6.726 2.240 1.00 0.00 N ATOM 795 CA LYS A 54 -0.771 5.748 2.610 1.00 0.00 C ATOM 796 C LYS A 54 0.131 5.452 1.417 1.00 0.00 C ATOM 797 O LYS A 54 -0.341 5.169 0.333 1.00 0.00 O ATOM 798 CB LYS A 54 -1.458 4.449 3.051 1.00 0.00 C ATOM 799 CG LYS A 54 -1.349 4.316 4.569 1.00 0.00 C ATOM 800 CD LYS A 54 -2.178 3.117 5.027 1.00 0.00 C ATOM 801 CE LYS A 54 -1.610 2.589 6.345 1.00 0.00 C ATOM 802 NZ LYS A 54 -0.201 2.137 6.166 1.00 0.00 N ATOM 0 H LYS A 54 -2.669 6.327 1.836 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.161 6.160 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.505 4.456 2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.991 3.593 2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.307 4.186 4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.705 5.226 5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.220 3.408 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.158 2.334 4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.653 3.370 7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.220 1.761 6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.003 1.365 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.066 1.798 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.444 2.932 6.348 1.00 0.00 H new ATOM 816 N SER A 55 1.414 5.517 1.637 1.00 0.00 N ATOM 817 CA SER A 55 2.358 5.243 0.528 1.00 0.00 C ATOM 818 C SER A 55 2.622 3.748 0.382 1.00 0.00 C ATOM 819 O SER A 55 3.355 3.333 -0.495 1.00 0.00 O ATOM 820 CB SER A 55 3.682 5.952 0.842 1.00 0.00 C ATOM 821 OG SER A 55 3.287 7.256 1.244 1.00 0.00 O ATOM 0 H SER A 55 1.844 5.747 2.533 1.00 0.00 H new ATOM 0 HA SER A 55 1.924 5.605 -0.404 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.231 5.440 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.334 5.984 -0.031 1.00 0.00 H new ATOM 0 HG SER A 55 4.082 7.784 1.468 1.00 0.00 H new ATOM 827 N THR A 56 2.015 2.968 1.246 1.00 0.00 N ATOM 828 CA THR A 56 2.212 1.489 1.182 1.00 0.00 C ATOM 829 C THR A 56 0.881 0.776 0.956 1.00 0.00 C ATOM 830 O THR A 56 -0.170 1.373 1.073 1.00 0.00 O ATOM 831 CB THR A 56 2.802 1.019 2.518 1.00 0.00 C ATOM 832 OG1 THR A 56 1.801 1.277 3.479 1.00 0.00 O ATOM 833 CG2 THR A 56 3.983 1.908 2.941 1.00 0.00 C ATOM 0 H THR A 56 1.395 3.292 1.988 1.00 0.00 H new ATOM 0 HA THR A 56 2.881 1.254 0.354 1.00 0.00 H new ATOM 0 HB THR A 56 3.119 -0.021 2.435 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.116 0.996 4.363 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.383 1.554 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.762 1.864 2.180 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.642 2.937 3.052 1.00 0.00 H new ATOM 841 N ALA A 57 0.948 -0.493 0.637 1.00 0.00 N ATOM 842 CA ALA A 57 -0.311 -1.250 0.403 1.00 0.00 C ATOM 843 C ALA A 57 -0.146 -2.724 0.767 1.00 0.00 C ATOM 844 O ALA A 57 0.847 -3.342 0.432 1.00 0.00 O ATOM 845 CB ALA A 57 -0.660 -1.149 -1.088 1.00 0.00 C ATOM 0 H ALA A 57 1.810 -1.028 0.531 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.098 -0.827 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.581 -1.698 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.796 -0.102 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.149 -1.575 -1.681 1.00 0.00 H new ATOM 851 N THR A 58 -1.131 -3.260 1.443 1.00 0.00 N ATOM 852 CA THR A 58 -1.060 -4.691 1.844 1.00 0.00 C ATOM 853 C THR A 58 -1.875 -5.565 0.892 1.00 0.00 C ATOM 854 O THR A 58 -2.902 -5.150 0.393 1.00 0.00 O ATOM 855 CB THR A 58 -1.642 -4.822 3.256 1.00 0.00 C ATOM 856 OG1 THR A 58 -0.841 -3.985 4.067 1.00 0.00 O ATOM 857 CG2 THR A 58 -1.416 -6.233 3.816 1.00 0.00 C ATOM 0 H THR A 58 -1.976 -2.768 1.732 1.00 0.00 H new ATOM 0 HA THR A 58 -0.021 -5.020 1.813 1.00 0.00 H new ATOM 0 HB THR A 58 -2.706 -4.586 3.239 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.163 -4.021 4.992 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.838 -6.299 4.819 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.902 -6.963 3.169 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.347 -6.441 3.859 1.00 0.00 H new ATOM 865 N ILE A 59 -1.401 -6.764 0.663 1.00 0.00 N ATOM 866 CA ILE A 59 -2.133 -7.683 -0.252 1.00 0.00 C ATOM 867 C ILE A 59 -2.025 -9.129 0.237 1.00 0.00 C ATOM 868 O ILE A 59 -1.046 -9.508 0.846 1.00 0.00 O ATOM 869 CB ILE A 59 -1.494 -7.573 -1.648 1.00 0.00 C ATOM 870 CG1 ILE A 59 -2.095 -6.378 -2.387 1.00 0.00 C ATOM 871 CG2 ILE A 59 -1.811 -8.855 -2.454 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.308 -6.105 -3.679 1.00 0.00 C ATOM 0 H ILE A 59 -0.545 -7.142 1.068 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.187 -7.407 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.416 -7.447 -1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.140 -6.575 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.074 -5.496 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.361 -8.783 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.405 -9.722 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.891 -8.964 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.745 -5.252 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.269 -5.887 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.352 -6.983 -4.324 1.00 0.00 H new ATOM 884 N SER A 60 -3.040 -9.908 -0.035 1.00 0.00 N ATOM 885 CA SER A 60 -3.014 -11.327 0.405 1.00 0.00 C ATOM 886 C SER A 60 -3.695 -12.226 -0.628 1.00 0.00 C ATOM 887 O SER A 60 -4.252 -11.750 -1.597 1.00 0.00 O ATOM 888 CB SER A 60 -3.781 -11.436 1.732 1.00 0.00 C ATOM 889 OG SER A 60 -2.908 -12.168 2.580 1.00 0.00 O ATOM 0 H SER A 60 -3.879 -9.622 -0.540 1.00 0.00 H new ATOM 0 HA SER A 60 -1.978 -11.646 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.005 -10.452 2.145 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.733 -11.951 1.601 1.00 0.00 H new ATOM 0 HG SER A 60 -3.326 -12.282 3.459 1.00 0.00 H new ATOM 895 N GLY A 61 -3.633 -13.512 -0.401 1.00 0.00 N ATOM 896 CA GLY A 61 -4.274 -14.463 -1.360 1.00 0.00 C ATOM 897 C GLY A 61 -3.600 -14.386 -2.735 1.00 0.00 C ATOM 898 O GLY A 61 -4.221 -13.998 -3.706 1.00 0.00 O ATOM 0 H GLY A 61 -3.171 -13.943 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.205 -15.479 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.334 -14.230 -1.456 1.00 0.00 H new ATOM 902 N LEU A 62 -2.342 -14.764 -2.783 1.00 0.00 N ATOM 903 CA LEU A 62 -1.601 -14.725 -4.078 1.00 0.00 C ATOM 904 C LEU A 62 -1.103 -16.123 -4.462 1.00 0.00 C ATOM 905 O LEU A 62 -1.877 -17.056 -4.535 1.00 0.00 O ATOM 906 CB LEU A 62 -0.394 -13.778 -3.912 1.00 0.00 C ATOM 907 CG LEU A 62 0.418 -14.190 -2.675 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.910 -14.064 -2.989 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.071 -13.258 -1.511 1.00 0.00 C ATOM 0 H LEU A 62 -1.802 -15.096 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.265 -14.372 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.235 -13.815 -4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.738 -12.749 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 62 0.182 -15.220 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.492 -14.355 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.162 -14.715 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.141 -13.031 -3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.645 -13.546 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.314 -12.231 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.994 -13.332 -1.290 1.00 0.00 H new ATOM 921 N LYS A 63 0.177 -16.244 -4.698 1.00 0.00 N ATOM 922 CA LYS A 63 0.727 -17.568 -5.075 1.00 0.00 C ATOM 923 C LYS A 63 2.286 -17.522 -5.079 1.00 0.00 C ATOM 924 O LYS A 63 2.860 -16.726 -5.795 1.00 0.00 O ATOM 925 CB LYS A 63 0.245 -17.892 -6.501 1.00 0.00 C ATOM 926 CG LYS A 63 -0.475 -19.244 -6.490 1.00 0.00 C ATOM 927 CD LYS A 63 -0.803 -19.650 -7.929 1.00 0.00 C ATOM 928 CE LYS A 63 -1.631 -20.939 -7.912 1.00 0.00 C ATOM 929 NZ LYS A 63 -3.025 -20.670 -8.363 1.00 0.00 N ATOM 0 H LYS A 63 0.857 -15.486 -4.645 1.00 0.00 H new ATOM 0 HA LYS A 63 0.393 -18.321 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.426 -17.111 -6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.092 -17.922 -7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.153 -20.001 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.389 -19.178 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.357 -18.854 -8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.116 -19.801 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.170 -21.683 -8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.643 -21.358 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.572 -21.554 -8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.468 -19.976 -7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.010 -20.292 -9.332 1.00 0.00 H new ATOM 943 N PRO A 64 2.963 -18.375 -4.278 1.00 0.00 N ATOM 944 CA PRO A 64 4.428 -18.366 -4.249 1.00 0.00 C ATOM 945 C PRO A 64 5.032 -18.804 -5.584 1.00 0.00 C ATOM 946 O PRO A 64 4.516 -19.683 -6.246 1.00 0.00 O ATOM 947 CB PRO A 64 4.817 -19.390 -3.161 1.00 0.00 C ATOM 948 CG PRO A 64 3.504 -20.062 -2.663 1.00 0.00 C ATOM 949 CD PRO A 64 2.333 -19.361 -3.369 1.00 0.00 C ATOM 0 HA PRO A 64 4.799 -17.360 -4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.501 -20.137 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.332 -18.897 -2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.508 -21.128 -2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.411 -19.968 -1.581 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.723 -20.074 -3.923 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.676 -18.871 -2.650 1.00 0.00 H new ATOM 957 N GLY A 65 6.120 -18.175 -5.947 1.00 0.00 N ATOM 958 CA GLY A 65 6.792 -18.528 -7.234 1.00 0.00 C ATOM 959 C GLY A 65 5.870 -18.282 -8.431 1.00 0.00 C ATOM 960 O GLY A 65 5.256 -19.198 -8.939 1.00 0.00 O ATOM 0 H GLY A 65 6.571 -17.434 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.701 -17.937 -7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.093 -19.575 -7.214 1.00 0.00 H new ATOM 964 N VAL A 66 5.788 -17.047 -8.859 1.00 0.00 N ATOM 965 CA VAL A 66 4.912 -16.739 -10.017 1.00 0.00 C ATOM 966 C VAL A 66 5.124 -15.308 -10.517 1.00 0.00 C ATOM 967 O VAL A 66 5.510 -14.432 -9.767 1.00 0.00 O ATOM 968 CB VAL A 66 3.453 -16.901 -9.576 1.00 0.00 C ATOM 969 CG1 VAL A 66 3.060 -15.722 -8.684 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.554 -16.923 -10.815 1.00 0.00 C ATOM 0 H VAL A 66 6.285 -16.251 -8.459 1.00 0.00 H new ATOM 0 HA VAL A 66 5.157 -17.422 -10.831 1.00 0.00 H new ATOM 0 HB VAL A 66 3.337 -17.832 -9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.023 -15.834 -8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.706 -15.699 -7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.171 -14.792 -9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.514 -17.038 -10.508 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.669 -15.989 -11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.838 -17.758 -11.456 1.00 0.00 H new ATOM 980 N ASP A 67 4.866 -15.107 -11.787 1.00 0.00 N ATOM 981 CA ASP A 67 5.038 -13.754 -12.375 1.00 0.00 C ATOM 982 C ASP A 67 3.816 -12.884 -12.103 1.00 0.00 C ATOM 983 O ASP A 67 2.764 -13.095 -12.677 1.00 0.00 O ATOM 984 CB ASP A 67 5.209 -13.907 -13.896 1.00 0.00 C ATOM 985 CG ASP A 67 6.003 -12.715 -14.438 1.00 0.00 C ATOM 986 OD1 ASP A 67 5.506 -11.613 -14.275 1.00 0.00 O ATOM 987 OD2 ASP A 67 7.063 -12.975 -14.984 1.00 0.00 O ATOM 0 H ASP A 67 4.544 -15.825 -12.436 1.00 0.00 H new ATOM 0 HA ASP A 67 5.910 -13.278 -11.927 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.728 -14.838 -14.123 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.234 -13.959 -14.380 1.00 0.00 H new ATOM 992 N TYR A 68 3.979 -11.916 -11.235 1.00 0.00 N ATOM 993 CA TYR A 68 2.849 -11.020 -10.906 1.00 0.00 C ATOM 994 C TYR A 68 3.032 -9.650 -11.561 1.00 0.00 C ATOM 995 O TYR A 68 4.084 -9.045 -11.458 1.00 0.00 O ATOM 996 CB TYR A 68 2.836 -10.829 -9.383 1.00 0.00 C ATOM 997 CG TYR A 68 1.894 -11.854 -8.721 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.548 -11.900 -9.045 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.379 -12.736 -7.770 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.290 -12.809 -8.426 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.539 -13.641 -7.155 1.00 0.00 C ATOM 1002 CZ TYR A 68 0.200 -13.685 -7.476 1.00 0.00 C ATOM 1003 OH TYR A 68 -0.640 -14.589 -6.856 1.00 0.00 O ATOM 0 H TYR A 68 4.850 -11.715 -10.744 1.00 0.00 H new ATOM 0 HA TYR A 68 1.920 -11.460 -11.269 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.845 -10.944 -8.987 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.512 -9.817 -9.140 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.151 -11.222 -9.786 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.426 -12.715 -7.507 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.338 -12.835 -8.687 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.935 -14.321 -6.415 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.161 -15.069 -7.533 1.00 0.00 H new ATOM 1013 N THR A 69 2.003 -9.185 -12.222 1.00 0.00 N ATOM 1014 CA THR A 69 2.091 -7.860 -12.887 1.00 0.00 C ATOM 1015 C THR A 69 1.465 -6.791 -12.003 1.00 0.00 C ATOM 1016 O THR A 69 0.289 -6.851 -11.697 1.00 0.00 O ATOM 1017 CB THR A 69 1.315 -7.929 -14.210 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.279 -8.253 -15.191 1.00 0.00 O ATOM 1019 CG2 THR A 69 0.804 -6.540 -14.621 1.00 0.00 C ATOM 0 H THR A 69 1.110 -9.667 -12.327 1.00 0.00 H new ATOM 0 HA THR A 69 3.136 -7.609 -13.066 1.00 0.00 H new ATOM 0 HB THR A 69 0.485 -8.628 -14.113 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.438 -9.220 -15.186 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.258 -6.617 -15.561 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.141 -6.152 -13.847 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.650 -5.864 -14.747 1.00 0.00 H new ATOM 1027 N ILE A 70 2.256 -5.822 -11.611 1.00 0.00 N ATOM 1028 CA ILE A 70 1.712 -4.742 -10.742 1.00 0.00 C ATOM 1029 C ILE A 70 1.350 -3.512 -11.555 1.00 0.00 C ATOM 1030 O ILE A 70 2.075 -3.108 -12.443 1.00 0.00 O ATOM 1031 CB ILE A 70 2.782 -4.361 -9.704 1.00 0.00 C ATOM 1032 CG1 ILE A 70 2.287 -3.216 -8.808 1.00 0.00 C ATOM 1033 CG2 ILE A 70 4.034 -3.880 -10.448 1.00 0.00 C ATOM 1034 CD1 ILE A 70 0.960 -3.604 -8.156 1.00 0.00 C ATOM 0 H ILE A 70 3.243 -5.735 -11.854 1.00 0.00 H new ATOM 0 HA ILE A 70 0.809 -5.107 -10.254 1.00 0.00 H new ATOM 0 HB ILE A 70 2.998 -5.232 -9.085 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.029 -2.996 -8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.161 -2.309 -9.399 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.803 -3.606 -9.726 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.406 -4.679 -11.089 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.784 -3.013 -11.059 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.614 -2.788 -7.522 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.218 -3.802 -8.930 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.100 -4.500 -7.551 1.00 0.00 H new ATOM 1046 N THR A 71 0.223 -2.947 -11.236 1.00 0.00 N ATOM 1047 CA THR A 71 -0.234 -1.745 -11.957 1.00 0.00 C ATOM 1048 C THR A 71 -0.844 -0.749 -10.979 1.00 0.00 C ATOM 1049 O THR A 71 -1.714 -1.102 -10.206 1.00 0.00 O ATOM 1050 CB THR A 71 -1.303 -2.183 -12.954 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.650 -3.059 -13.845 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.761 -1.005 -13.823 1.00 0.00 C ATOM 0 H THR A 71 -0.402 -3.274 -10.499 1.00 0.00 H new ATOM 0 HA THR A 71 0.605 -1.269 -12.464 1.00 0.00 H new ATOM 0 HB THR A 71 -2.152 -2.609 -12.419 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.289 -3.380 -14.515 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.523 -1.345 -14.525 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.176 -0.223 -13.187 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.910 -0.608 -14.376 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.374 0.480 -11.026 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.921 1.517 -10.096 1.00 0.00 C ATOM 1062 C VAL A 72 -1.578 2.662 -10.861 1.00 0.00 C ATOM 1063 O VAL A 72 -1.213 2.958 -11.989 1.00 0.00 O ATOM 1064 CB VAL A 72 0.245 2.081 -9.250 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.960 0.926 -8.550 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.238 2.798 -10.161 1.00 0.00 C ATOM 0 H VAL A 72 0.356 0.803 -11.661 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.678 1.053 -9.463 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.147 2.781 -8.512 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.783 1.317 -7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.257 0.402 -7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.350 0.234 -9.296 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.059 3.195 -9.564 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.631 2.095 -10.896 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.735 3.617 -10.675 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.545 3.276 -10.223 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.268 4.412 -10.859 1.00 0.00 C ATOM 1078 C TYR A 73 -3.025 5.685 -10.075 1.00 0.00 C ATOM 1079 O TYR A 73 -3.139 5.689 -8.859 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.770 4.131 -10.794 1.00 0.00 C ATOM 1081 CG TYR A 73 -5.262 3.456 -12.077 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -5.723 4.213 -13.135 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.314 2.080 -12.169 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -6.233 3.605 -14.265 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.824 1.471 -13.298 1.00 0.00 C ATOM 1086 CZ TYR A 73 -6.289 2.228 -14.354 1.00 0.00 C ATOM 1087 OH TYR A 73 -6.816 1.618 -15.475 1.00 0.00 O ATOM 0 H TYR A 73 -2.863 3.035 -9.284 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.918 4.522 -11.886 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.987 3.492 -9.938 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.311 5.065 -10.640 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.684 5.291 -13.079 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.953 1.475 -11.351 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.591 4.210 -15.085 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.859 0.393 -13.355 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.775 0.645 -15.367 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.711 6.740 -10.779 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.456 8.037 -10.102 1.00 0.00 C ATOM 1099 C ALA A 74 -3.448 9.069 -10.598 1.00 0.00 C ATOM 1100 O ALA A 74 -3.152 9.830 -11.497 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.037 8.502 -10.460 1.00 0.00 C ATOM 0 H ALA A 74 -2.621 6.756 -11.795 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.560 7.920 -9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.832 9.454 -9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.315 7.758 -10.123 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.956 8.624 -11.540 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.612 9.084 -10.004 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.632 10.064 -10.441 1.00 0.00 C ATOM 1109 C VAL A 75 -5.610 11.312 -9.582 1.00 0.00 C ATOM 1110 O VAL A 75 -5.720 11.244 -8.372 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.015 9.415 -10.327 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.079 10.444 -10.714 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.091 8.229 -11.290 1.00 0.00 C ATOM 0 H VAL A 75 -4.893 8.465 -9.244 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.413 10.352 -11.469 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.183 9.073 -9.306 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.068 9.992 -10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.018 11.301 -10.043 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.910 10.774 -11.739 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.073 7.762 -11.215 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.933 8.578 -12.310 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.322 7.501 -11.032 1.00 0.00 H new ATOM 1123 N THR A 76 -5.461 12.431 -10.230 1.00 0.00 N ATOM 1124 CA THR A 76 -5.427 13.710 -9.495 1.00 0.00 C ATOM 1125 C THR A 76 -6.164 14.780 -10.285 1.00 0.00 C ATOM 1126 O THR A 76 -6.883 14.479 -11.217 1.00 0.00 O ATOM 1127 CB THR A 76 -3.964 14.137 -9.325 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.606 14.744 -10.547 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.044 12.911 -9.219 1.00 0.00 C ATOM 0 H THR A 76 -5.361 12.509 -11.242 1.00 0.00 H new ATOM 0 HA THR A 76 -5.905 13.586 -8.523 1.00 0.00 H new ATOM 0 HB THR A 76 -3.865 14.766 -8.440 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.674 15.043 -10.503 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.012 13.240 -9.099 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.336 12.310 -8.357 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.131 12.312 -10.125 1.00 0.00 H new ATOM 1266 N PRO A 87 -3.016 5.020 -16.307 1.00 0.00 N ATOM 1267 CA PRO A 87 -2.351 4.058 -15.415 1.00 0.00 C ATOM 1268 C PRO A 87 -0.901 3.795 -15.818 1.00 0.00 C ATOM 1269 O PRO A 87 -0.397 4.358 -16.768 1.00 0.00 O ATOM 1270 CB PRO A 87 -3.135 2.748 -15.604 1.00 0.00 C ATOM 1271 CG PRO A 87 -4.048 2.940 -16.849 1.00 0.00 C ATOM 1272 CD PRO A 87 -4.090 4.441 -17.141 1.00 0.00 C ATOM 0 HA PRO A 87 -2.338 4.438 -14.394 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.455 1.909 -15.750 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.731 2.524 -14.719 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.655 2.391 -17.705 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.050 2.556 -16.656 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.921 4.643 -18.199 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.061 4.866 -16.886 1.00 0.00 H new ATOM 1280 N ILE A 88 -0.268 2.931 -15.071 1.00 0.00 N ATOM 1281 CA ILE A 88 1.146 2.580 -15.356 1.00 0.00 C ATOM 1282 C ILE A 88 1.448 1.227 -14.724 1.00 0.00 C ATOM 1283 O ILE A 88 1.011 0.955 -13.624 1.00 0.00 O ATOM 1284 CB ILE A 88 2.056 3.646 -14.744 1.00 0.00 C ATOM 1285 CG1 ILE A 88 3.468 3.095 -14.594 1.00 0.00 C ATOM 1286 CG2 ILE A 88 1.514 4.017 -13.352 1.00 0.00 C ATOM 1287 CD1 ILE A 88 4.455 4.263 -14.490 1.00 0.00 C ATOM 0 H ILE A 88 -0.677 2.451 -14.269 1.00 0.00 H new ATOM 0 HA ILE A 88 1.316 2.532 -16.432 1.00 0.00 H new ATOM 0 HB ILE A 88 2.078 4.523 -15.391 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.534 2.467 -13.706 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.719 2.466 -15.448 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.154 4.777 -12.903 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.500 4.406 -13.448 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.504 3.131 -12.718 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.468 3.875 -14.382 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.394 4.872 -15.392 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.206 4.873 -13.622 1.00 0.00 H new ATOM 1299 N SER A 89 2.185 0.396 -15.416 1.00 0.00 N ATOM 1300 CA SER A 89 2.491 -0.935 -14.823 1.00 0.00 C ATOM 1301 C SER A 89 3.833 -1.491 -15.270 1.00 0.00 C ATOM 1302 O SER A 89 4.434 -1.019 -16.214 1.00 0.00 O ATOM 1303 CB SER A 89 1.409 -1.908 -15.283 1.00 0.00 C ATOM 1304 OG SER A 89 1.685 -2.105 -16.661 1.00 0.00 O ATOM 0 H SER A 89 2.578 0.576 -16.340 1.00 0.00 H new ATOM 0 HA SER A 89 2.525 -0.816 -13.740 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.454 -2.846 -14.729 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.411 -1.496 -15.131 1.00 0.00 H new ATOM 0 HG SER A 89 1.029 -2.727 -17.040 1.00 0.00 H new ATOM 1310 N ILE A 90 4.257 -2.516 -14.571 1.00 0.00 N ATOM 1311 CA ILE A 90 5.550 -3.166 -14.891 1.00 0.00 C ATOM 1312 C ILE A 90 5.521 -4.627 -14.418 1.00 0.00 C ATOM 1313 O ILE A 90 4.838 -4.959 -13.464 1.00 0.00 O ATOM 1314 CB ILE A 90 6.684 -2.424 -14.151 1.00 0.00 C ATOM 1315 CG1 ILE A 90 6.172 -1.868 -12.820 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.167 -1.239 -15.014 1.00 0.00 C ATOM 1317 CD1 ILE A 90 7.330 -1.198 -12.065 1.00 0.00 C ATOM 0 H ILE A 90 3.752 -2.928 -13.786 1.00 0.00 H new ATOM 0 HA ILE A 90 5.718 -3.132 -15.967 1.00 0.00 H new ATOM 0 HB ILE A 90 7.499 -3.125 -13.969 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.374 -1.147 -12.998 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.747 -2.671 -12.218 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.968 -0.713 -14.494 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.538 -1.612 -15.969 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.337 -0.554 -15.189 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.966 -0.802 -11.117 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.113 -1.932 -11.875 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.734 -0.384 -12.667 1.00 0.00 H new ATOM 1329 N ASN A 91 6.256 -5.475 -15.094 1.00 0.00 N ATOM 1330 CA ASN A 91 6.274 -6.907 -14.688 1.00 0.00 C ATOM 1331 C ASN A 91 7.255 -7.146 -13.545 1.00 0.00 C ATOM 1332 O ASN A 91 8.325 -6.570 -13.510 1.00 0.00 O ATOM 1333 CB ASN A 91 6.713 -7.754 -15.898 1.00 0.00 C ATOM 1334 CG ASN A 91 7.213 -6.835 -17.015 1.00 0.00 C ATOM 1335 OD1 ASN A 91 6.630 -6.761 -18.078 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.289 -6.123 -16.820 1.00 0.00 N ATOM 0 H ASN A 91 6.836 -5.239 -15.899 1.00 0.00 H new ATOM 0 HA ASN A 91 5.275 -7.186 -14.352 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.501 -8.446 -15.603 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.878 -8.356 -16.255 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.635 -5.509 -17.558 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.784 -6.180 -15.930 1.00 0.00 H new ATOM 1343 N TYR A 92 6.868 -7.996 -12.627 1.00 0.00 N ATOM 1344 CA TYR A 92 7.762 -8.288 -11.477 1.00 0.00 C ATOM 1345 C TYR A 92 7.607 -9.736 -11.026 1.00 0.00 C ATOM 1346 O TYR A 92 6.527 -10.163 -10.661 1.00 0.00 O ATOM 1347 CB TYR A 92 7.366 -7.367 -10.315 1.00 0.00 C ATOM 1348 CG TYR A 92 8.475 -7.363 -9.258 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.607 -8.415 -8.372 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.349 -6.300 -9.167 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.597 -8.401 -7.409 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.339 -6.286 -8.205 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.470 -7.336 -7.319 1.00 0.00 C ATOM 1354 OH TYR A 92 11.461 -7.323 -6.357 1.00 0.00 O ATOM 0 H TYR A 92 5.978 -8.494 -12.628 1.00 0.00 H new ATOM 0 HA TYR A 92 8.797 -8.123 -11.777 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.197 -6.355 -10.682 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.430 -7.706 -9.872 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.931 -9.255 -8.433 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.258 -5.472 -9.854 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.689 -9.229 -6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.016 -5.447 -8.145 1.00 0.00 H new ATOM 0 HH TYR A 92 11.985 -6.499 -6.438 1.00 0.00 H new ATOM 1364 N ARG A 93 8.686 -10.471 -11.060 1.00 0.00 N ATOM 1365 CA ARG A 93 8.608 -11.887 -10.635 1.00 0.00 C ATOM 1366 C ARG A 93 8.773 -12.002 -9.131 1.00 0.00 C ATOM 1367 O ARG A 93 9.813 -11.670 -8.596 1.00 0.00 O ATOM 1368 CB ARG A 93 9.733 -12.672 -11.329 1.00 0.00 C ATOM 1369 CG ARG A 93 9.475 -14.173 -11.171 1.00 0.00 C ATOM 1370 CD ARG A 93 10.811 -14.900 -10.990 1.00 0.00 C ATOM 1371 NE ARG A 93 11.678 -14.625 -12.170 1.00 0.00 N ATOM 1372 CZ ARG A 93 12.876 -15.140 -12.218 1.00 0.00 C ATOM 1373 NH1 ARG A 93 13.822 -14.605 -11.496 1.00 0.00 N ATOM 1374 NH2 ARG A 93 13.087 -16.173 -12.986 1.00 0.00 N ATOM 0 H ARG A 93 9.607 -10.151 -11.361 1.00 0.00 H new ATOM 0 HA ARG A 93 7.634 -12.291 -10.911 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.778 -12.408 -12.386 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.697 -12.409 -10.894 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.830 -14.354 -10.311 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.954 -14.558 -12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.301 -14.564 -10.076 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.645 -15.972 -10.887 1.00 0.00 H new ATOM 0 HE ARG A 93 11.338 -14.040 -12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.619 -13.798 -10.907 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.764 -14.994 -11.521 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.322 -16.564 -13.536 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.017 -16.589 -13.037 1.00 0.00 H new ATOM 1388 N THR A 94 7.737 -12.476 -8.471 1.00 0.00 N ATOM 1389 CA THR A 94 7.812 -12.621 -6.988 1.00 0.00 C ATOM 1390 C THR A 94 7.850 -14.088 -6.582 1.00 0.00 C ATOM 1391 O THR A 94 7.382 -14.883 -7.380 1.00 0.00 O ATOM 1392 CB THR A 94 6.566 -11.973 -6.371 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.866 -11.395 -7.455 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.958 -10.780 -5.483 1.00 0.00 C ATOM 1395 OXT THR A 94 8.345 -14.335 -5.494 1.00 0.00 O ATOM 0 H THR A 94 6.855 -12.764 -8.895 1.00 0.00 H new ATOM 0 HA THR A 94 8.723 -12.138 -6.634 1.00 0.00 H new ATOM 0 HB THR A 94 6.010 -12.714 -5.796 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.051 -10.962 -7.125 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.060 -10.334 -5.055 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.611 -11.123 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.481 -10.036 -6.083 1.00 0.00 H new