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 71 THR OG1 : rot 180:sc= -0.53 USER MOD Set 1.2: A 89 SER OG : rot 180:sc= -2.6! USER MOD Set 2.1: A 14 THR OG1 : rot 26:sc= 1.07 USER MOD Set 2.2: A 17 SER OG : rot -85:sc= 0.941 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -30:sc= -1.53! USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -30:sc= 0.289! USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.2!) 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+ 173:sc= 0 (180deg=-0.00485) 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= -0.217 USER MOD Single : A 60 SER OG : rot -102:sc= 0.574 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.588! C(o=-0.59!,f=-0.58!) 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 10.197 2.668 -5.993 1.00 0.00 N ATOM 109 CA LEU A 8 9.256 1.544 -5.737 1.00 0.00 C ATOM 110 C LEU A 8 10.048 0.358 -5.197 1.00 0.00 C ATOM 111 O LEU A 8 11.165 0.130 -5.618 1.00 0.00 O ATOM 112 CB LEU A 8 8.604 1.122 -7.074 1.00 0.00 C ATOM 113 CG LEU A 8 7.125 1.526 -7.089 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.016 3.038 -7.244 1.00 0.00 C ATOM 115 CD2 LEU A 8 6.434 0.858 -8.276 1.00 0.00 C ATOM 0 HA LEU A 8 8.492 1.853 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.126 1.593 -7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.696 0.044 -7.208 1.00 0.00 H new ATOM 0 HG LEU A 8 6.653 1.214 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.965 3.328 -7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.518 3.526 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.486 3.343 -8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.382 1.142 -8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.910 1.179 -9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.516 -0.225 -8.183 1.00 0.00 H new ATOM 127 N GLU A 9 9.484 -0.383 -4.279 1.00 0.00 N ATOM 128 CA GLU A 9 10.255 -1.539 -3.749 1.00 0.00 C ATOM 129 C GLU A 9 9.399 -2.494 -2.919 1.00 0.00 C ATOM 130 O GLU A 9 8.284 -2.181 -2.537 1.00 0.00 O ATOM 131 CB GLU A 9 11.373 -0.983 -2.851 1.00 0.00 C ATOM 132 CG GLU A 9 12.729 -1.503 -3.339 1.00 0.00 C ATOM 133 CD GLU A 9 12.800 -3.014 -3.116 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.489 -3.413 -2.006 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.161 -3.685 -4.069 1.00 0.00 O ATOM 0 H GLU A 9 8.553 -0.243 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 9 10.642 -2.104 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.361 0.107 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.207 -1.285 -1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.861 -1.273 -4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.537 -1.006 -2.802 1.00 0.00 H new ATOM 142 N VAL A 10 9.960 -3.653 -2.664 1.00 0.00 N ATOM 143 CA VAL A 10 9.247 -4.681 -1.866 1.00 0.00 C ATOM 144 C VAL A 10 9.751 -4.651 -0.422 1.00 0.00 C ATOM 145 O VAL A 10 10.864 -5.056 -0.148 1.00 0.00 O ATOM 146 CB VAL A 10 9.569 -6.057 -2.476 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.878 -7.149 -1.656 1.00 0.00 C ATOM 148 CG2 VAL A 10 9.053 -6.104 -3.919 1.00 0.00 C ATOM 0 H VAL A 10 10.890 -3.926 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 10 8.174 -4.490 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 10 10.647 -6.219 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.104 -8.125 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.237 -7.114 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.800 -6.987 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.279 -7.077 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.975 -5.945 -3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.538 -5.323 -4.504 1.00 0.00 H new ATOM 158 N VAL A 11 8.932 -4.175 0.475 1.00 0.00 N ATOM 159 CA VAL A 11 9.368 -4.118 1.897 1.00 0.00 C ATOM 160 C VAL A 11 9.459 -5.499 2.517 1.00 0.00 C ATOM 161 O VAL A 11 10.398 -5.800 3.227 1.00 0.00 O ATOM 162 CB VAL A 11 8.347 -3.294 2.689 1.00 0.00 C ATOM 163 CG1 VAL A 11 8.721 -3.325 4.172 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.374 -1.847 2.194 1.00 0.00 C ATOM 0 H VAL A 11 7.992 -3.827 0.288 1.00 0.00 H new ATOM 0 HA VAL A 11 10.359 -3.665 1.930 1.00 0.00 H new ATOM 0 HB VAL A 11 7.350 -3.711 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.999 -2.741 4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.715 -4.355 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.716 -2.901 4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.649 -1.257 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.371 -1.431 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.121 -1.820 1.134 1.00 0.00 H new ATOM 174 N ALA A 12 8.493 -6.311 2.244 1.00 0.00 N ATOM 175 CA ALA A 12 8.520 -7.678 2.821 1.00 0.00 C ATOM 176 C ALA A 12 7.657 -8.645 2.022 1.00 0.00 C ATOM 177 O ALA A 12 6.952 -8.258 1.111 1.00 0.00 O ATOM 178 CB ALA A 12 7.970 -7.599 4.252 1.00 0.00 C ATOM 0 H ALA A 12 7.690 -6.096 1.653 1.00 0.00 H new ATOM 0 HA ALA A 12 9.546 -8.045 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.979 -8.592 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.592 -6.928 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.948 -7.220 4.229 1.00 0.00 H new ATOM 184 N ALA A 13 7.735 -9.894 2.389 1.00 0.00 N ATOM 185 CA ALA A 13 6.940 -10.926 1.686 1.00 0.00 C ATOM 186 C ALA A 13 6.673 -12.097 2.625 1.00 0.00 C ATOM 187 O ALA A 13 7.527 -12.461 3.410 1.00 0.00 O ATOM 188 CB ALA A 13 7.749 -11.424 0.478 1.00 0.00 C ATOM 0 H ALA A 13 8.319 -10.241 3.150 1.00 0.00 H new ATOM 0 HA ALA A 13 5.990 -10.503 1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.178 -12.186 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.952 -10.589 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.691 -11.850 0.822 1.00 0.00 H new ATOM 194 N THR A 14 5.496 -12.665 2.532 1.00 0.00 N ATOM 195 CA THR A 14 5.170 -13.814 3.422 1.00 0.00 C ATOM 196 C THR A 14 4.366 -14.890 2.656 1.00 0.00 C ATOM 197 O THR A 14 3.714 -14.590 1.676 1.00 0.00 O ATOM 198 CB THR A 14 4.312 -13.270 4.587 1.00 0.00 C ATOM 199 OG1 THR A 14 3.532 -12.237 4.020 1.00 0.00 O ATOM 200 CG2 THR A 14 5.180 -12.548 5.645 1.00 0.00 C ATOM 0 H THR A 14 4.758 -12.385 1.886 1.00 0.00 H new ATOM 0 HA THR A 14 6.089 -14.273 3.786 1.00 0.00 H new ATOM 0 HB THR A 14 3.763 -14.093 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.421 -12.400 3.060 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.542 -12.179 6.448 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.911 -13.246 6.053 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.699 -11.710 5.180 1.00 0.00 H new ATOM 208 N PRO A 15 4.434 -16.143 3.126 1.00 0.00 N ATOM 209 CA PRO A 15 3.713 -17.240 2.479 1.00 0.00 C ATOM 210 C PRO A 15 2.224 -16.941 2.322 1.00 0.00 C ATOM 211 O PRO A 15 1.512 -17.688 1.681 1.00 0.00 O ATOM 212 CB PRO A 15 3.897 -18.449 3.424 1.00 0.00 C ATOM 213 CG PRO A 15 4.812 -17.990 4.599 1.00 0.00 C ATOM 214 CD PRO A 15 5.222 -16.539 4.314 1.00 0.00 C ATOM 0 HA PRO A 15 4.097 -17.412 1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.933 -18.792 3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.348 -19.287 2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.283 -18.061 5.549 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.691 -18.630 4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.004 -15.893 5.165 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.292 -16.462 4.121 1.00 0.00 H new ATOM 222 N THR A 16 1.773 -15.860 2.910 1.00 0.00 N ATOM 223 CA THR A 16 0.328 -15.525 2.787 1.00 0.00 C ATOM 224 C THR A 16 0.097 -14.016 2.768 1.00 0.00 C ATOM 225 O THR A 16 -0.951 -13.550 3.169 1.00 0.00 O ATOM 226 CB THR A 16 -0.413 -16.112 3.994 1.00 0.00 C ATOM 227 OG1 THR A 16 0.103 -15.429 5.119 1.00 0.00 O ATOM 228 CG2 THR A 16 -0.025 -17.579 4.220 1.00 0.00 C ATOM 0 H THR A 16 2.334 -15.208 3.459 1.00 0.00 H new ATOM 0 HA THR A 16 -0.040 -15.941 1.849 1.00 0.00 H new ATOM 0 HB THR A 16 -1.489 -16.024 3.842 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.335 -15.759 5.931 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.565 -17.970 5.082 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.281 -18.163 3.336 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.047 -17.648 4.402 1.00 0.00 H new ATOM 236 N SER A 17 1.072 -13.274 2.310 1.00 0.00 N ATOM 237 CA SER A 17 0.891 -11.797 2.273 1.00 0.00 C ATOM 238 C SER A 17 2.098 -11.095 1.656 1.00 0.00 C ATOM 239 O SER A 17 3.216 -11.550 1.785 1.00 0.00 O ATOM 240 CB SER A 17 0.717 -11.291 3.716 1.00 0.00 C ATOM 241 OG SER A 17 1.854 -10.467 3.933 1.00 0.00 O ATOM 0 H SER A 17 1.968 -13.620 1.967 1.00 0.00 H new ATOM 0 HA SER A 17 0.016 -11.574 1.662 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.210 -10.730 3.833 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.682 -12.117 4.427 1.00 0.00 H new ATOM 0 HG SER A 17 2.610 -11.021 4.218 1.00 0.00 H new ATOM 247 N LEU A 18 1.836 -9.994 0.991 1.00 0.00 N ATOM 248 CA LEU A 18 2.939 -9.227 0.351 1.00 0.00 C ATOM 249 C LEU A 18 2.826 -7.760 0.737 1.00 0.00 C ATOM 250 O LEU A 18 1.751 -7.197 0.694 1.00 0.00 O ATOM 251 CB LEU A 18 2.806 -9.352 -1.179 1.00 0.00 C ATOM 252 CG LEU A 18 4.078 -9.992 -1.755 1.00 0.00 C ATOM 253 CD1 LEU A 18 3.844 -10.328 -3.233 1.00 0.00 C ATOM 254 CD2 LEU A 18 5.247 -9.002 -1.639 1.00 0.00 C ATOM 0 H LEU A 18 0.904 -9.598 0.867 1.00 0.00 H new ATOM 0 HA LEU A 18 3.901 -9.619 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.936 -9.958 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.648 -8.369 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 18 4.315 -10.900 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.743 -10.783 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.011 -11.025 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.612 -9.415 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.150 -9.456 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.012 -8.095 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.409 -8.752 -0.591 1.00 0.00 H new ATOM 266 N LEU A 19 3.937 -7.167 1.108 1.00 0.00 N ATOM 267 CA LEU A 19 3.909 -5.728 1.505 1.00 0.00 C ATOM 268 C LEU A 19 4.725 -4.870 0.550 1.00 0.00 C ATOM 269 O LEU A 19 5.942 -4.850 0.610 1.00 0.00 O ATOM 270 CB LEU A 19 4.515 -5.607 2.921 1.00 0.00 C ATOM 271 CG LEU A 19 4.460 -4.140 3.395 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.007 -3.659 3.420 1.00 0.00 C ATOM 273 CD2 LEU A 19 5.037 -4.049 4.810 1.00 0.00 C ATOM 0 H LEU A 19 4.852 -7.615 1.152 1.00 0.00 H new ATOM 0 HA LEU A 19 2.877 -5.378 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.967 -6.243 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.547 -5.957 2.915 1.00 0.00 H new ATOM 0 HG LEU A 19 5.038 -3.518 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.973 -2.622 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.583 -3.731 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.430 -4.281 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.001 -3.015 5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.450 -4.674 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.071 -4.394 4.804 1.00 0.00 H new ATOM 285 N ILE A 20 4.035 -4.171 -0.315 1.00 0.00 N ATOM 286 CA ILE A 20 4.741 -3.301 -1.286 1.00 0.00 C ATOM 287 C ILE A 20 4.713 -1.866 -0.786 1.00 0.00 C ATOM 288 O ILE A 20 3.959 -1.537 0.111 1.00 0.00 O ATOM 289 CB ILE A 20 4.023 -3.398 -2.661 1.00 0.00 C ATOM 290 CG1 ILE A 20 3.139 -2.162 -2.917 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.125 -4.652 -2.650 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.304 -2.389 -4.179 1.00 0.00 C ATOM 0 H ILE A 20 3.017 -4.169 -0.386 1.00 0.00 H new ATOM 0 HA ILE A 20 5.778 -3.621 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 20 4.775 -3.454 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.486 -1.984 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.760 -1.274 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.611 -4.740 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.739 -5.538 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.390 -4.566 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.678 -1.516 -4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.966 -2.546 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.672 -3.267 -4.044 1.00 0.00 H new ATOM 304 N SER A 21 5.523 -1.034 -1.362 1.00 0.00 N ATOM 305 CA SER A 21 5.534 0.377 -0.910 1.00 0.00 C ATOM 306 C SER A 21 6.050 1.302 -2.002 1.00 0.00 C ATOM 307 O SER A 21 7.022 1.000 -2.668 1.00 0.00 O ATOM 308 CB SER A 21 6.454 0.485 0.315 1.00 0.00 C ATOM 309 OG SER A 21 6.006 -0.552 1.176 1.00 0.00 O ATOM 0 H SER A 21 6.170 -1.264 -2.116 1.00 0.00 H new ATOM 0 HA SER A 21 4.515 0.677 -0.664 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.500 0.351 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.371 1.462 0.791 1.00 0.00 H new ATOM 0 HG SER A 21 5.049 -0.705 1.033 1.00 0.00 H new ATOM 315 N TRP A 22 5.378 2.417 -2.168 1.00 0.00 N ATOM 316 CA TRP A 22 5.809 3.385 -3.211 1.00 0.00 C ATOM 317 C TRP A 22 5.716 4.816 -2.693 1.00 0.00 C ATOM 318 O TRP A 22 6.043 5.075 -1.550 1.00 0.00 O ATOM 319 CB TRP A 22 4.923 3.213 -4.475 1.00 0.00 C ATOM 320 CG TRP A 22 3.478 3.656 -4.218 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.968 4.794 -4.663 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.567 2.944 -3.591 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.686 4.746 -4.273 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.350 3.604 -3.583 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.668 1.700 -2.995 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.252 3.033 -2.983 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.566 1.132 -2.396 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.360 1.797 -2.389 1.00 0.00 C ATOM 0 H TRP A 22 4.557 2.692 -1.628 1.00 0.00 H new ATOM 0 HA TRP A 22 6.849 3.185 -3.468 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.342 3.796 -5.295 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.934 2.169 -4.788 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.468 5.578 -5.212 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.018 5.491 -4.471 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.611 1.174 -2.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.694 3.554 -2.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.648 0.161 -1.930 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.501 1.348 -1.917 1.00 0.00 H new ATOM 415 N VAL A 29 -2.855 14.777 -5.261 1.00 0.00 N ATOM 416 CA VAL A 29 -3.314 13.383 -5.449 1.00 0.00 C ATOM 417 C VAL A 29 -4.616 13.122 -4.713 1.00 0.00 C ATOM 418 O VAL A 29 -4.678 13.228 -3.504 1.00 0.00 O ATOM 419 CB VAL A 29 -2.245 12.448 -4.876 1.00 0.00 C ATOM 420 CG1 VAL A 29 -2.452 11.043 -5.447 1.00 0.00 C ATOM 421 CG2 VAL A 29 -0.857 12.964 -5.266 1.00 0.00 C ATOM 0 HA VAL A 29 -3.477 13.211 -6.513 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.324 12.416 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.694 10.371 -5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.442 10.681 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.367 11.076 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.094 12.300 -4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.771 12.992 -6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.716 13.968 -4.865 1.00 0.00 H new ATOM 431 N ARG A 30 -5.637 12.785 -5.452 1.00 0.00 N ATOM 432 CA ARG A 30 -6.936 12.514 -4.801 1.00 0.00 C ATOM 433 C ARG A 30 -6.976 11.066 -4.330 1.00 0.00 C ATOM 434 O ARG A 30 -7.213 10.799 -3.168 1.00 0.00 O ATOM 435 CB ARG A 30 -8.062 12.756 -5.819 1.00 0.00 C ATOM 436 CG ARG A 30 -8.118 14.251 -6.168 1.00 0.00 C ATOM 437 CD ARG A 30 -8.512 15.062 -4.922 1.00 0.00 C ATOM 438 NE ARG A 30 -9.466 16.132 -5.326 1.00 0.00 N ATOM 439 CZ ARG A 30 -10.736 15.986 -5.067 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.131 16.001 -3.823 1.00 0.00 N ATOM 441 NH2 ARG A 30 -11.568 15.826 -6.059 1.00 0.00 N ATOM 0 H ARG A 30 -5.623 12.688 -6.467 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.066 13.173 -3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.887 12.167 -6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.017 12.431 -5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.148 14.584 -6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.840 14.421 -6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.969 14.411 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.626 15.500 -4.462 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.130 16.970 -5.800 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.451 16.125 -3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.120 15.888 -3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.222 15.817 -7.018 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.565 15.710 -5.875 1.00 0.00 H new ATOM 455 N TYR A 31 -6.747 10.149 -5.240 1.00 0.00 N ATOM 456 CA TYR A 31 -6.770 8.715 -4.831 1.00 0.00 C ATOM 457 C TYR A 31 -5.990 7.837 -5.796 1.00 0.00 C ATOM 458 O TYR A 31 -5.678 8.231 -6.914 1.00 0.00 O ATOM 459 CB TYR A 31 -8.225 8.206 -4.770 1.00 0.00 C ATOM 460 CG TYR A 31 -9.087 8.922 -5.804 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.132 8.480 -7.110 1.00 0.00 C ATOM 462 CD2 TYR A 31 -9.849 10.008 -5.440 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.931 9.116 -8.038 1.00 0.00 C ATOM 464 CE2 TYR A 31 -10.649 10.645 -6.367 1.00 0.00 C ATOM 465 CZ TYR A 31 -10.695 10.204 -7.674 1.00 0.00 C ATOM 466 OH TYR A 31 -11.489 10.846 -8.603 1.00 0.00 O ATOM 0 H TYR A 31 -6.550 10.328 -6.225 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.302 8.654 -3.849 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.248 7.131 -4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.632 8.370 -3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.537 7.629 -7.409 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.821 10.365 -4.421 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.958 8.759 -9.057 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.244 11.495 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.959 11.591 -8.173 1.00 0.00 H new ATOM 476 N TYR A 32 -5.696 6.653 -5.332 1.00 0.00 N ATOM 477 CA TYR A 32 -4.939 5.686 -6.158 1.00 0.00 C ATOM 478 C TYR A 32 -5.775 4.435 -6.380 1.00 0.00 C ATOM 479 O TYR A 32 -6.711 4.186 -5.654 1.00 0.00 O ATOM 480 CB TYR A 32 -3.671 5.273 -5.379 1.00 0.00 C ATOM 481 CG TYR A 32 -2.434 6.020 -5.910 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.066 7.239 -5.375 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.638 5.459 -6.895 1.00 0.00 C ATOM 484 CE1 TYR A 32 -0.923 7.883 -5.812 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.494 6.110 -7.329 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.134 7.325 -6.789 1.00 0.00 C ATOM 487 OH TYR A 32 0.999 7.975 -7.219 1.00 0.00 O ATOM 0 H TYR A 32 -5.954 6.316 -4.404 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.688 6.142 -7.116 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.804 5.489 -4.319 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.518 4.198 -5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.676 7.693 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.911 4.508 -7.328 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.648 8.834 -5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.120 5.661 -8.096 1.00 0.00 H new ATOM 0 HH TYR A 32 1.440 7.441 -7.912 1.00 0.00 H new ATOM 497 N ARG A 33 -5.429 3.679 -7.382 1.00 0.00 N ATOM 498 CA ARG A 33 -6.194 2.434 -7.664 1.00 0.00 C ATOM 499 C ARG A 33 -5.220 1.347 -8.067 1.00 0.00 C ATOM 500 O ARG A 33 -4.793 1.274 -9.202 1.00 0.00 O ATOM 501 CB ARG A 33 -7.199 2.693 -8.806 1.00 0.00 C ATOM 502 CG ARG A 33 -8.613 2.396 -8.304 1.00 0.00 C ATOM 503 CD ARG A 33 -9.608 2.600 -9.450 1.00 0.00 C ATOM 504 NE ARG A 33 -10.986 2.672 -8.885 1.00 0.00 N ATOM 505 CZ ARG A 33 -11.954 2.010 -9.461 1.00 0.00 C ATOM 506 NH1 ARG A 33 -12.143 0.758 -9.142 1.00 0.00 N ATOM 507 NH2 ARG A 33 -12.706 2.622 -10.337 1.00 0.00 N ATOM 0 H ARG A 33 -4.653 3.868 -8.016 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.744 2.123 -6.776 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.129 3.728 -9.142 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.964 2.063 -9.664 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.672 1.373 -7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.861 3.053 -7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.375 3.516 -9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.535 1.779 -10.163 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.172 3.234 -8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.539 0.311 -8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.894 0.227 -9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.533 3.602 -10.562 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.466 2.120 -10.796 1.00 0.00 H new ATOM 521 N ILE A 34 -4.878 0.522 -7.120 1.00 0.00 N ATOM 522 CA ILE A 34 -3.930 -0.569 -7.411 1.00 0.00 C ATOM 523 C ILE A 34 -4.631 -1.829 -7.878 1.00 0.00 C ATOM 524 O ILE A 34 -5.612 -2.256 -7.302 1.00 0.00 O ATOM 525 CB ILE A 34 -3.166 -0.890 -6.127 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.151 0.209 -5.837 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.409 -2.215 -6.327 1.00 0.00 C ATOM 528 CD1 ILE A 34 -2.879 1.543 -5.645 1.00 0.00 C ATOM 0 H ILE A 34 -5.218 0.561 -6.159 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.266 -0.239 -8.210 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.867 -0.965 -5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.579 -0.037 -4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.439 0.287 -6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.858 -2.460 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.121 -3.011 -6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.712 -2.114 -7.159 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.152 2.328 -5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.431 1.790 -6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.573 1.462 -4.809 1.00 0.00 H new ATOM 540 N THR A 35 -4.102 -2.393 -8.919 1.00 0.00 N ATOM 541 CA THR A 35 -4.681 -3.629 -9.477 1.00 0.00 C ATOM 542 C THR A 35 -3.560 -4.591 -9.794 1.00 0.00 C ATOM 543 O THR A 35 -2.561 -4.194 -10.363 1.00 0.00 O ATOM 544 CB THR A 35 -5.414 -3.287 -10.775 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.442 -3.407 -11.788 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.820 -1.802 -10.810 1.00 0.00 C ATOM 0 H THR A 35 -3.281 -2.042 -9.412 1.00 0.00 H new ATOM 0 HA THR A 35 -5.371 -4.076 -8.761 1.00 0.00 H new ATOM 0 HB THR A 35 -6.293 -3.923 -10.879 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.559 -3.195 -11.420 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.339 -1.589 -11.744 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.480 -1.585 -9.970 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.928 -1.179 -10.740 1.00 0.00 H new ATOM 554 N TYR A 36 -3.720 -5.838 -9.421 1.00 0.00 N ATOM 555 CA TYR A 36 -2.626 -6.808 -9.721 1.00 0.00 C ATOM 556 C TYR A 36 -3.151 -8.168 -10.123 1.00 0.00 C ATOM 557 O TYR A 36 -4.265 -8.554 -9.785 1.00 0.00 O ATOM 558 CB TYR A 36 -1.744 -6.964 -8.470 1.00 0.00 C ATOM 559 CG TYR A 36 -2.566 -7.549 -7.319 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.314 -6.725 -6.504 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.550 -8.907 -7.064 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.036 -7.249 -5.451 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.271 -9.429 -6.010 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.020 -8.604 -5.195 1.00 0.00 C ATOM 565 OH TYR A 36 -4.738 -9.126 -4.139 1.00 0.00 O ATOM 0 H TYR A 36 -4.534 -6.216 -8.937 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.056 -6.414 -10.562 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.898 -7.615 -8.691 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.335 -5.996 -8.180 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.335 -5.662 -6.691 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.969 -9.564 -7.694 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.619 -6.592 -4.822 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.249 -10.492 -5.821 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.613 -10.098 -4.107 1.00 0.00 H new ATOM 575 N GLY A 37 -2.320 -8.867 -10.856 1.00 0.00 N ATOM 576 CA GLY A 37 -2.690 -10.219 -11.329 1.00 0.00 C ATOM 577 C GLY A 37 -1.650 -10.716 -12.334 1.00 0.00 C ATOM 578 O GLY A 37 -1.007 -9.933 -13.005 1.00 0.00 O ATOM 0 H GLY A 37 -1.395 -8.548 -11.145 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.751 -10.906 -10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.676 -10.195 -11.793 1.00 0.00 H new ATOM 582 N GLU A 38 -1.501 -12.006 -12.412 1.00 0.00 N ATOM 583 CA GLU A 38 -0.516 -12.571 -13.358 1.00 0.00 C ATOM 584 C GLU A 38 -0.667 -11.962 -14.744 1.00 0.00 C ATOM 585 O GLU A 38 -1.572 -11.192 -14.995 1.00 0.00 O ATOM 586 CB GLU A 38 -0.749 -14.087 -13.452 1.00 0.00 C ATOM 587 CG GLU A 38 -1.505 -14.565 -12.208 1.00 0.00 C ATOM 588 CD GLU A 38 -1.359 -16.081 -12.081 1.00 0.00 C ATOM 589 OE1 GLU A 38 -1.781 -16.746 -13.012 1.00 0.00 O ATOM 590 OE2 GLU A 38 -0.831 -16.491 -11.059 1.00 0.00 O ATOM 0 H GLU A 38 -2.020 -12.689 -11.861 1.00 0.00 H new ATOM 0 HA GLU A 38 0.487 -12.348 -12.995 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.319 -14.323 -14.350 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.205 -14.608 -13.534 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.111 -14.074 -11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.558 -14.294 -12.282 1.00 0.00 H new ATOM 597 N THR A 39 0.227 -12.326 -15.623 1.00 0.00 N ATOM 598 CA THR A 39 0.162 -11.785 -17.001 1.00 0.00 C ATOM 599 C THR A 39 -1.229 -11.979 -17.597 1.00 0.00 C ATOM 600 O THR A 39 -2.022 -12.749 -17.092 1.00 0.00 O ATOM 601 CB THR A 39 1.185 -12.542 -17.857 1.00 0.00 C ATOM 602 OG1 THR A 39 2.447 -12.108 -17.397 1.00 0.00 O ATOM 603 CG2 THR A 39 1.127 -12.077 -19.320 1.00 0.00 C ATOM 0 H THR A 39 0.995 -12.973 -15.443 1.00 0.00 H new ATOM 0 HA THR A 39 0.380 -10.717 -16.981 1.00 0.00 H new ATOM 0 HB THR A 39 1.001 -13.614 -17.791 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.153 -12.559 -17.906 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.862 -12.629 -19.906 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.130 -12.261 -19.721 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.348 -11.011 -19.372 1.00 0.00 H new ATOM 664 N VAL A 45 -6.183 -10.594 -10.506 1.00 0.00 N ATOM 665 CA VAL A 45 -6.672 -11.030 -9.182 1.00 0.00 C ATOM 666 C VAL A 45 -7.746 -10.099 -8.691 1.00 0.00 C ATOM 667 O VAL A 45 -8.897 -10.469 -8.579 1.00 0.00 O ATOM 668 CB VAL A 45 -5.503 -10.990 -8.186 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.013 -11.376 -6.799 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.432 -11.983 -8.624 1.00 0.00 C ATOM 0 HA VAL A 45 -7.077 -12.038 -9.266 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.079 -9.986 -8.156 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.188 -11.349 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.785 -10.672 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.431 -12.382 -6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.601 -11.957 -7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.855 -12.987 -8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.073 -11.716 -9.618 1.00 0.00 H new ATOM 680 N GLN A 46 -7.353 -8.900 -8.413 1.00 0.00 N ATOM 681 CA GLN A 46 -8.342 -7.909 -7.920 1.00 0.00 C ATOM 682 C GLN A 46 -7.726 -6.523 -7.841 1.00 0.00 C ATOM 683 O GLN A 46 -6.635 -6.298 -8.326 1.00 0.00 O ATOM 684 CB GLN A 46 -8.807 -8.332 -6.512 1.00 0.00 C ATOM 685 CG GLN A 46 -7.637 -8.222 -5.535 1.00 0.00 C ATOM 686 CD GLN A 46 -7.807 -6.968 -4.682 1.00 0.00 C ATOM 687 OE1 GLN A 46 -6.929 -6.137 -4.607 1.00 0.00 O ATOM 688 NE2 GLN A 46 -8.922 -6.796 -4.021 1.00 0.00 N ATOM 0 H GLN A 46 -6.396 -8.559 -8.503 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.184 -7.877 -8.612 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.630 -7.698 -6.183 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.182 -9.355 -6.533 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.596 -9.106 -4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.695 -8.179 -6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.664 -7.494 -4.082 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.050 -5.964 -3.445 1.00 0.00 H new ATOM 697 N GLU A 47 -8.435 -5.617 -7.232 1.00 0.00 N ATOM 698 CA GLU A 47 -7.901 -4.243 -7.117 1.00 0.00 C ATOM 699 C GLU A 47 -8.562 -3.496 -5.964 1.00 0.00 C ATOM 700 O GLU A 47 -9.562 -3.934 -5.429 1.00 0.00 O ATOM 701 CB GLU A 47 -8.222 -3.498 -8.415 1.00 0.00 C ATOM 702 CG GLU A 47 -9.742 -3.349 -8.542 1.00 0.00 C ATOM 703 CD GLU A 47 -10.143 -3.485 -10.013 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.876 -4.548 -10.551 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.695 -2.520 -10.516 1.00 0.00 O ATOM 0 H GLU A 47 -9.353 -5.770 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.827 -4.294 -6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.746 -2.517 -8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.824 -4.044 -9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.245 -4.110 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.057 -2.380 -8.155 1.00 0.00 H new ATOM 712 N PHE A 48 -7.991 -2.377 -5.600 1.00 0.00 N ATOM 713 CA PHE A 48 -8.573 -1.588 -4.486 1.00 0.00 C ATOM 714 C PHE A 48 -8.040 -0.161 -4.510 1.00 0.00 C ATOM 715 O PHE A 48 -6.952 0.081 -4.996 1.00 0.00 O ATOM 716 CB PHE A 48 -8.186 -2.252 -3.155 1.00 0.00 C ATOM 717 CG PHE A 48 -6.660 -2.334 -3.038 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.942 -3.240 -3.800 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.982 -1.528 -2.144 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.575 -3.339 -3.667 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.614 -1.629 -2.013 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.911 -2.536 -2.775 1.00 0.00 C ATOM 0 H PHE A 48 -7.153 -1.982 -6.026 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.657 -1.559 -4.595 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.593 -1.680 -2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.618 -3.251 -3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.459 -3.875 -4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.527 -0.814 -1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.025 -4.050 -4.266 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.092 -0.996 -1.311 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.839 -2.615 -2.670 1.00 0.00 H new ATOM 732 N THR A 49 -8.817 0.764 -3.981 1.00 0.00 N ATOM 733 CA THR A 49 -8.368 2.188 -3.968 1.00 0.00 C ATOM 734 C THR A 49 -8.051 2.678 -2.562 1.00 0.00 C ATOM 735 O THR A 49 -8.484 2.108 -1.580 1.00 0.00 O ATOM 736 CB THR A 49 -9.493 3.056 -4.540 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.205 3.535 -3.418 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.508 2.199 -5.307 1.00 0.00 C ATOM 0 H THR A 49 -9.731 0.591 -3.564 1.00 0.00 H new ATOM 0 HA THR A 49 -7.458 2.260 -4.564 1.00 0.00 H new ATOM 0 HB THR A 49 -9.073 3.823 -5.191 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.944 4.104 -3.718 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.297 2.838 -5.704 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.006 1.689 -6.129 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.943 1.460 -4.634 1.00 0.00 H new ATOM 746 N VAL A 50 -7.293 3.740 -2.505 1.00 0.00 N ATOM 747 CA VAL A 50 -6.911 4.321 -1.194 1.00 0.00 C ATOM 748 C VAL A 50 -6.746 5.855 -1.343 1.00 0.00 C ATOM 749 O VAL A 50 -6.447 6.329 -2.419 1.00 0.00 O ATOM 750 CB VAL A 50 -5.551 3.704 -0.784 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.675 2.182 -0.736 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.494 4.085 -1.819 1.00 0.00 C ATOM 0 H VAL A 50 -6.921 4.230 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.674 4.111 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.263 4.080 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.718 1.748 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.435 1.902 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.961 1.809 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.534 3.653 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.788 3.704 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.404 5.170 -1.865 1.00 0.00 H new ATOM 762 N PRO A 51 -6.948 6.619 -0.260 1.00 0.00 N ATOM 763 CA PRO A 51 -6.807 8.081 -0.331 1.00 0.00 C ATOM 764 C PRO A 51 -5.389 8.525 -0.757 1.00 0.00 C ATOM 765 O PRO A 51 -5.022 9.668 -0.575 1.00 0.00 O ATOM 766 CB PRO A 51 -7.088 8.577 1.105 1.00 0.00 C ATOM 767 CG PRO A 51 -7.371 7.323 1.989 1.00 0.00 C ATOM 768 CD PRO A 51 -7.359 6.098 1.061 1.00 0.00 C ATOM 0 HA PRO A 51 -7.487 8.491 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.235 9.134 1.492 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.942 9.254 1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.615 7.223 2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.334 7.416 2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.663 5.339 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.343 5.631 1.012 1.00 0.00 H new ATOM 776 N GLY A 52 -4.627 7.617 -1.317 1.00 0.00 N ATOM 777 CA GLY A 52 -3.242 7.982 -1.755 1.00 0.00 C ATOM 778 C GLY A 52 -2.450 8.618 -0.607 1.00 0.00 C ATOM 779 O GLY A 52 -1.347 9.091 -0.804 1.00 0.00 O ATOM 0 H GLY A 52 -4.899 6.649 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.723 7.092 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.294 8.676 -2.594 1.00 0.00 H new ATOM 783 N SER A 53 -3.019 8.617 0.565 1.00 0.00 N ATOM 784 CA SER A 53 -2.305 9.217 1.714 1.00 0.00 C ATOM 785 C SER A 53 -1.190 8.300 2.185 1.00 0.00 C ATOM 786 O SER A 53 -0.088 8.740 2.450 1.00 0.00 O ATOM 787 CB SER A 53 -3.305 9.402 2.860 1.00 0.00 C ATOM 788 OG SER A 53 -3.523 10.803 2.908 1.00 0.00 O ATOM 0 H SER A 53 -3.939 8.229 0.772 1.00 0.00 H new ATOM 0 HA SER A 53 -1.874 10.172 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.232 8.861 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.904 9.029 3.802 1.00 0.00 H new ATOM 0 HG SER A 53 -4.161 11.011 3.623 1.00 0.00 H new ATOM 794 N LYS A 54 -1.500 7.035 2.279 1.00 0.00 N ATOM 795 CA LYS A 54 -0.480 6.058 2.731 1.00 0.00 C ATOM 796 C LYS A 54 0.129 5.336 1.540 1.00 0.00 C ATOM 797 O LYS A 54 -0.549 4.621 0.831 1.00 0.00 O ATOM 798 CB LYS A 54 -1.167 5.027 3.634 1.00 0.00 C ATOM 799 CG LYS A 54 -2.027 5.761 4.670 1.00 0.00 C ATOM 800 CD LYS A 54 -1.735 5.193 6.063 1.00 0.00 C ATOM 801 CE LYS A 54 -0.308 5.566 6.475 1.00 0.00 C ATOM 802 NZ LYS A 54 0.480 4.340 6.788 1.00 0.00 N ATOM 0 H LYS A 54 -2.415 6.641 2.062 1.00 0.00 H new ATOM 0 HA LYS A 54 0.310 6.583 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.787 4.358 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.421 4.409 4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.811 6.829 4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.084 5.644 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.449 5.588 6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.852 4.109 6.058 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.176 6.122 5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.334 6.222 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.474 4.598 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.096 3.889 7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.421 3.676 5.990 1.00 0.00 H new ATOM 816 N SER A 55 1.401 5.533 1.342 1.00 0.00 N ATOM 817 CA SER A 55 2.068 4.865 0.203 1.00 0.00 C ATOM 818 C SER A 55 2.498 3.455 0.573 1.00 0.00 C ATOM 819 O SER A 55 3.649 3.093 0.422 1.00 0.00 O ATOM 820 CB SER A 55 3.310 5.671 -0.168 1.00 0.00 C ATOM 821 OG SER A 55 2.823 6.990 -0.371 1.00 0.00 O ATOM 0 H SER A 55 2.001 6.124 1.918 1.00 0.00 H new ATOM 0 HA SER A 55 1.369 4.809 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.056 5.640 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.785 5.279 -1.067 1.00 0.00 H new ATOM 0 HG SER A 55 3.567 7.580 -0.614 1.00 0.00 H new ATOM 827 N THR A 56 1.570 2.686 1.052 1.00 0.00 N ATOM 828 CA THR A 56 1.901 1.300 1.438 1.00 0.00 C ATOM 829 C THR A 56 0.665 0.421 1.328 1.00 0.00 C ATOM 830 O THR A 56 -0.430 0.862 1.615 1.00 0.00 O ATOM 831 CB THR A 56 2.374 1.307 2.896 1.00 0.00 C ATOM 832 OG1 THR A 56 1.905 2.527 3.431 1.00 0.00 O ATOM 833 CG2 THR A 56 3.904 1.412 2.979 1.00 0.00 C ATOM 0 H THR A 56 0.597 2.959 1.192 1.00 0.00 H new ATOM 0 HA THR A 56 2.678 0.910 0.780 1.00 0.00 H new ATOM 0 HB THR A 56 2.028 0.405 3.400 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.173 2.597 4.371 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.212 1.415 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.355 0.560 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.232 2.335 2.502 1.00 0.00 H new ATOM 841 N ALA A 57 0.849 -0.806 0.915 1.00 0.00 N ATOM 842 CA ALA A 57 -0.328 -1.703 0.790 1.00 0.00 C ATOM 843 C ALA A 57 0.033 -3.154 1.075 1.00 0.00 C ATOM 844 O ALA A 57 1.136 -3.591 0.806 1.00 0.00 O ATOM 845 CB ALA A 57 -0.858 -1.606 -0.646 1.00 0.00 C ATOM 0 H ALA A 57 1.748 -1.217 0.664 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.077 -1.390 1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.724 -2.258 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.149 -0.577 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.079 -1.914 -1.343 1.00 0.00 H new ATOM 851 N THR A 58 -0.921 -3.872 1.617 1.00 0.00 N ATOM 852 CA THR A 58 -0.695 -5.304 1.942 1.00 0.00 C ATOM 853 C THR A 58 -1.715 -6.168 1.215 1.00 0.00 C ATOM 854 O THR A 58 -2.862 -6.232 1.610 1.00 0.00 O ATOM 855 CB THR A 58 -0.878 -5.497 3.451 1.00 0.00 C ATOM 856 OG1 THR A 58 0.039 -4.612 4.057 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.412 -6.895 3.885 1.00 0.00 C ATOM 0 H THR A 58 -1.850 -3.520 1.847 1.00 0.00 H new ATOM 0 HA THR A 58 0.310 -5.592 1.634 1.00 0.00 H new ATOM 0 HB THR A 58 -1.924 -5.344 3.717 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.030 -4.686 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.552 -7.008 4.960 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.996 -7.652 3.362 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.643 -7.019 3.642 1.00 0.00 H new ATOM 865 N ILE A 59 -1.275 -6.822 0.165 1.00 0.00 N ATOM 866 CA ILE A 59 -2.188 -7.681 -0.603 1.00 0.00 C ATOM 867 C ILE A 59 -1.862 -9.155 -0.397 1.00 0.00 C ATOM 868 O ILE A 59 -0.710 -9.545 -0.413 1.00 0.00 O ATOM 869 CB ILE A 59 -1.995 -7.326 -2.073 1.00 0.00 C ATOM 870 CG1 ILE A 59 -0.692 -7.934 -2.601 1.00 0.00 C ATOM 871 CG2 ILE A 59 -1.913 -5.792 -2.190 1.00 0.00 C ATOM 872 CD1 ILE A 59 -0.336 -7.289 -3.947 1.00 0.00 C ATOM 0 H ILE A 59 -0.317 -6.788 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.215 -7.520 -0.275 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.828 -7.718 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.113 -7.774 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.803 -9.012 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.775 -5.514 -3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.836 -5.349 -1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.071 -5.427 -1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.591 -7.721 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.138 -7.472 -4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.208 -6.215 -3.813 1.00 0.00 H new ATOM 884 N SER A 60 -2.891 -9.947 -0.209 1.00 0.00 N ATOM 885 CA SER A 60 -2.683 -11.407 0.000 1.00 0.00 C ATOM 886 C SER A 60 -3.355 -12.211 -1.106 1.00 0.00 C ATOM 887 O SER A 60 -3.907 -11.652 -2.034 1.00 0.00 O ATOM 888 CB SER A 60 -3.316 -11.796 1.345 1.00 0.00 C ATOM 889 OG SER A 60 -2.476 -11.186 2.313 1.00 0.00 O ATOM 0 H SER A 60 -3.864 -9.641 -0.192 1.00 0.00 H new ATOM 0 HA SER A 60 -1.614 -11.622 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.341 -11.434 1.422 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.349 -12.878 1.472 1.00 0.00 H new ATOM 0 HG SER A 60 -1.887 -11.862 2.707 1.00 0.00 H new ATOM 895 N GLY A 61 -3.297 -13.510 -0.992 1.00 0.00 N ATOM 896 CA GLY A 61 -3.931 -14.366 -2.034 1.00 0.00 C ATOM 897 C GLY A 61 -2.991 -14.538 -3.233 1.00 0.00 C ATOM 898 O GLY A 61 -3.426 -14.518 -4.368 1.00 0.00 O ATOM 0 H GLY A 61 -2.842 -14.012 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.175 -15.341 -1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.869 -13.917 -2.361 1.00 0.00 H new ATOM 902 N LEU A 62 -1.719 -14.704 -2.949 1.00 0.00 N ATOM 903 CA LEU A 62 -0.726 -14.880 -4.049 1.00 0.00 C ATOM 904 C LEU A 62 -0.211 -16.318 -4.096 1.00 0.00 C ATOM 905 O LEU A 62 -0.854 -17.224 -3.602 1.00 0.00 O ATOM 906 CB LEU A 62 0.460 -13.936 -3.776 1.00 0.00 C ATOM 907 CG LEU A 62 1.061 -14.262 -2.403 1.00 0.00 C ATOM 908 CD1 LEU A 62 2.526 -14.664 -2.577 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.983 -13.024 -1.511 1.00 0.00 C ATOM 0 H LEU A 62 -1.331 -14.725 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.203 -14.653 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.216 -14.049 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.128 -12.898 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 62 0.506 -15.081 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.958 -14.897 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.589 -15.541 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.078 -13.841 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.409 -13.252 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.543 -12.209 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.059 -12.727 -1.392 1.00 0.00 H new ATOM 921 N LYS A 63 0.942 -16.501 -4.691 1.00 0.00 N ATOM 922 CA LYS A 63 1.507 -17.870 -4.776 1.00 0.00 C ATOM 923 C LYS A 63 3.067 -17.812 -4.753 1.00 0.00 C ATOM 924 O LYS A 63 3.651 -17.000 -5.437 1.00 0.00 O ATOM 925 CB LYS A 63 1.048 -18.484 -6.122 1.00 0.00 C ATOM 926 CG LYS A 63 0.986 -20.011 -6.005 1.00 0.00 C ATOM 927 CD LYS A 63 0.297 -20.582 -7.243 1.00 0.00 C ATOM 928 CE LYS A 63 0.550 -22.088 -7.300 1.00 0.00 C ATOM 929 NZ LYS A 63 -0.631 -22.796 -7.866 1.00 0.00 N ATOM 0 H LYS A 63 1.507 -15.765 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 63 1.166 -18.468 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.069 -18.092 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.739 -18.199 -6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.991 -20.422 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.440 -20.297 -5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.774 -20.381 -7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.680 -20.101 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.430 -22.292 -7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.762 -22.465 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.441 -23.818 -7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.463 -22.616 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.815 -22.449 -8.829 1.00 0.00 H new ATOM 943 N PRO A 64 3.727 -18.678 -3.963 1.00 0.00 N ATOM 944 CA PRO A 64 5.190 -18.665 -3.906 1.00 0.00 C ATOM 945 C PRO A 64 5.821 -18.856 -5.287 1.00 0.00 C ATOM 946 O PRO A 64 5.801 -19.939 -5.837 1.00 0.00 O ATOM 947 CB PRO A 64 5.569 -19.855 -2.998 1.00 0.00 C ATOM 948 CG PRO A 64 4.243 -20.520 -2.523 1.00 0.00 C ATOM 949 CD PRO A 64 3.084 -19.693 -3.101 1.00 0.00 C ATOM 0 HA PRO A 64 5.552 -17.707 -3.532 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.184 -20.572 -3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.155 -19.515 -2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.187 -21.553 -2.867 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.193 -20.543 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.400 -20.320 -3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.500 -19.225 -2.308 1.00 0.00 H new ATOM 957 N GLY A 65 6.371 -17.794 -5.817 1.00 0.00 N ATOM 958 CA GLY A 65 7.013 -17.890 -7.163 1.00 0.00 C ATOM 959 C GLY A 65 5.966 -17.846 -8.284 1.00 0.00 C ATOM 960 O GLY A 65 5.490 -18.871 -8.731 1.00 0.00 O ATOM 0 H GLY A 65 6.404 -16.872 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.720 -17.070 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.583 -18.816 -7.231 1.00 0.00 H new ATOM 964 N VAL A 66 5.629 -16.657 -8.714 1.00 0.00 N ATOM 965 CA VAL A 66 4.627 -16.533 -9.792 1.00 0.00 C ATOM 966 C VAL A 66 4.706 -15.156 -10.461 1.00 0.00 C ATOM 967 O VAL A 66 4.822 -14.139 -9.795 1.00 0.00 O ATOM 968 CB VAL A 66 3.234 -16.719 -9.167 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.995 -15.625 -8.126 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.158 -16.630 -10.260 1.00 0.00 C ATOM 0 H VAL A 66 6.007 -15.777 -8.362 1.00 0.00 H new ATOM 0 HA VAL A 66 4.818 -17.288 -10.554 1.00 0.00 H new ATOM 0 HB VAL A 66 3.180 -17.697 -8.689 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.008 -15.755 -7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.755 -15.691 -7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.051 -14.648 -8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.173 -16.762 -9.812 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.209 -15.654 -10.742 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.327 -17.411 -11.002 1.00 0.00 H new ATOM 980 N ASP A 67 4.660 -15.159 -11.769 1.00 0.00 N ATOM 981 CA ASP A 67 4.726 -13.879 -12.519 1.00 0.00 C ATOM 982 C ASP A 67 3.613 -12.953 -12.061 1.00 0.00 C ATOM 983 O ASP A 67 2.455 -13.300 -12.165 1.00 0.00 O ATOM 984 CB ASP A 67 4.523 -14.186 -14.013 1.00 0.00 C ATOM 985 CG ASP A 67 5.806 -13.857 -14.779 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.127 -12.680 -14.818 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.394 -14.800 -15.282 1.00 0.00 O ATOM 0 H ASP A 67 4.579 -15.996 -12.346 1.00 0.00 H new ATOM 0 HA ASP A 67 5.690 -13.400 -12.345 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.265 -15.236 -14.148 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.692 -13.601 -14.406 1.00 0.00 H new ATOM 992 N TYR A 68 3.978 -11.788 -11.566 1.00 0.00 N ATOM 993 CA TYR A 68 2.939 -10.830 -11.094 1.00 0.00 C ATOM 994 C TYR A 68 3.062 -9.478 -11.774 1.00 0.00 C ATOM 995 O TYR A 68 4.063 -8.801 -11.650 1.00 0.00 O ATOM 996 CB TYR A 68 3.133 -10.631 -9.582 1.00 0.00 C ATOM 997 CG TYR A 68 1.946 -11.237 -8.822 1.00 0.00 C ATOM 998 CD1 TYR A 68 1.507 -12.508 -9.114 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.312 -10.526 -7.823 1.00 0.00 C ATOM 1000 CE1 TYR A 68 0.457 -13.066 -8.421 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.259 -11.085 -7.127 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.177 -12.361 -7.422 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.231 -12.921 -6.732 1.00 0.00 O ATOM 0 H TYR A 68 4.942 -11.468 -11.472 1.00 0.00 H new ATOM 0 HA TYR A 68 1.957 -11.239 -11.332 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.062 -11.102 -9.260 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.219 -9.569 -9.354 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.992 -13.074 -9.896 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.642 -9.526 -7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.127 -14.066 -8.663 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.227 -10.520 -6.346 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.558 -12.285 -6.062 1.00 0.00 H new ATOM 1013 N THR A 69 2.026 -9.115 -12.481 1.00 0.00 N ATOM 1014 CA THR A 69 2.025 -7.816 -13.186 1.00 0.00 C ATOM 1015 C THR A 69 1.156 -6.832 -12.415 1.00 0.00 C ATOM 1016 O THR A 69 -0.041 -7.023 -12.302 1.00 0.00 O ATOM 1017 CB THR A 69 1.428 -8.027 -14.581 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.271 -8.973 -15.206 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.570 -6.761 -15.437 1.00 0.00 C ATOM 0 H THR A 69 1.179 -9.671 -12.597 1.00 0.00 H new ATOM 0 HA THR A 69 3.039 -7.425 -13.263 1.00 0.00 H new ATOM 0 HB THR A 69 0.379 -8.312 -14.494 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.942 -9.157 -16.111 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.138 -6.938 -16.422 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.047 -5.935 -14.955 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.625 -6.510 -15.543 1.00 0.00 H new ATOM 1027 N ILE A 70 1.772 -5.798 -11.887 1.00 0.00 N ATOM 1028 CA ILE A 70 0.982 -4.794 -11.112 1.00 0.00 C ATOM 1029 C ILE A 70 0.740 -3.519 -11.908 1.00 0.00 C ATOM 1030 O ILE A 70 1.531 -3.144 -12.751 1.00 0.00 O ATOM 1031 CB ILE A 70 1.764 -4.434 -9.846 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.060 -3.292 -9.119 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.179 -3.970 -10.251 1.00 0.00 C ATOM 1034 CD1 ILE A 70 1.349 -3.390 -7.618 1.00 0.00 C ATOM 0 H ILE A 70 2.772 -5.610 -11.959 1.00 0.00 H new ATOM 0 HA ILE A 70 0.013 -5.235 -10.876 1.00 0.00 H new ATOM 0 HB ILE A 70 1.823 -5.303 -9.191 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.405 -2.333 -9.505 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.014 -3.340 -9.298 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.746 -3.710 -9.357 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.687 -4.774 -10.783 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.104 -3.097 -10.899 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.847 -2.575 -7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.982 -4.344 -7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.424 -3.321 -7.449 1.00 0.00 H new ATOM 1046 N THR A 71 -0.363 -2.879 -11.616 1.00 0.00 N ATOM 1047 CA THR A 71 -0.702 -1.625 -12.325 1.00 0.00 C ATOM 1048 C THR A 71 -1.285 -0.621 -11.352 1.00 0.00 C ATOM 1049 O THR A 71 -2.335 -0.849 -10.785 1.00 0.00 O ATOM 1050 CB THR A 71 -1.743 -1.938 -13.408 1.00 0.00 C ATOM 1051 OG1 THR A 71 -1.134 -2.898 -14.245 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.976 -0.725 -14.320 1.00 0.00 C ATOM 0 H THR A 71 -1.040 -3.177 -10.914 1.00 0.00 H new ATOM 0 HA THR A 71 0.199 -1.206 -12.774 1.00 0.00 H new ATOM 0 HB THR A 71 -2.678 -2.244 -12.939 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.753 -3.145 -14.964 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.718 -0.977 -15.077 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.335 0.114 -13.724 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.040 -0.450 -14.806 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.594 0.483 -11.176 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.104 1.518 -10.229 1.00 0.00 C ATOM 1062 C VAL A 72 -1.727 2.678 -10.984 1.00 0.00 C ATOM 1063 O VAL A 72 -1.266 3.056 -12.054 1.00 0.00 O ATOM 1064 CB VAL A 72 0.069 2.034 -9.361 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.731 0.846 -8.662 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.102 2.725 -10.243 1.00 0.00 C ATOM 0 H VAL A 72 0.286 0.706 -11.640 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.869 1.069 -9.595 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.312 2.742 -8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.559 1.200 -8.048 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.000 0.342 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.107 0.147 -9.409 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.925 3.086 -9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.484 2.017 -10.979 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.637 3.567 -10.756 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.769 3.216 -10.412 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.467 4.355 -11.050 1.00 0.00 C ATOM 1078 C TYR A 73 -3.293 5.631 -10.244 1.00 0.00 C ATOM 1079 O TYR A 73 -3.527 5.644 -9.058 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.960 4.030 -11.056 1.00 0.00 C ATOM 1081 CG TYR A 73 -5.380 3.430 -12.396 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.953 2.172 -12.767 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -6.235 4.121 -13.233 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -5.378 1.612 -13.955 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -6.656 3.560 -14.419 1.00 0.00 C ATOM 1086 CZ TYR A 73 -6.231 2.302 -14.789 1.00 0.00 C ATOM 1087 OH TYR A 73 -6.654 1.741 -15.976 1.00 0.00 O ATOM 0 H TYR A 73 -3.166 2.909 -9.524 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.059 4.503 -12.050 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.187 3.330 -10.252 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.535 4.936 -10.862 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.282 1.622 -12.124 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.576 5.108 -12.956 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.039 0.625 -14.233 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.325 4.111 -15.064 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.252 2.365 -16.438 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.881 6.673 -10.906 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.685 7.973 -10.208 1.00 0.00 C ATOM 1099 C ALA A 74 -3.751 8.935 -10.699 1.00 0.00 C ATOM 1100 O ALA A 74 -3.525 9.687 -11.627 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.297 8.526 -10.572 1.00 0.00 C ATOM 0 H ALA A 74 -2.671 6.681 -11.904 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.757 7.847 -9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.141 9.479 -10.067 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.530 7.819 -10.258 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.235 8.673 -11.650 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.902 8.902 -10.065 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.992 9.810 -10.498 1.00 0.00 C ATOM 1109 C VAL A 75 -6.074 11.080 -9.670 1.00 0.00 C ATOM 1110 O VAL A 75 -6.104 11.048 -8.446 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.320 9.057 -10.361 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.344 9.665 -11.324 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.104 7.587 -10.720 1.00 0.00 C ATOM 0 H VAL A 75 -5.123 8.292 -9.278 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.786 10.106 -11.527 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.684 9.136 -9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.291 9.133 -11.231 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.493 10.717 -11.080 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.978 9.578 -12.347 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.046 7.047 -10.624 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.746 7.512 -11.747 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.366 7.152 -10.046 1.00 0.00 H new ATOM 1123 N THR A 76 -6.120 12.182 -10.371 1.00 0.00 N ATOM 1124 CA THR A 76 -6.205 13.492 -9.700 1.00 0.00 C ATOM 1125 C THR A 76 -7.659 13.960 -9.713 1.00 0.00 C ATOM 1126 O THR A 76 -8.490 13.397 -9.030 1.00 0.00 O ATOM 1127 CB THR A 76 -5.330 14.490 -10.482 1.00 0.00 C ATOM 1128 OG1 THR A 76 -5.732 15.773 -10.048 1.00 0.00 O ATOM 1129 CG2 THR A 76 -5.671 14.458 -11.981 1.00 0.00 C ATOM 0 H THR A 76 -6.102 12.221 -11.390 1.00 0.00 H new ATOM 0 HA THR A 76 -5.859 13.422 -8.669 1.00 0.00 H new ATOM 0 HB THR A 76 -4.277 14.255 -10.325 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.205 16.456 -10.513 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.041 15.171 -12.513 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.496 13.456 -12.373 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.718 14.725 -12.122 1.00 0.00 H new ATOM 1266 N PRO A 87 -2.329 5.566 -16.399 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.900 4.473 -15.519 1.00 0.00 C ATOM 1268 C PRO A 87 -0.588 3.857 -15.995 1.00 0.00 C ATOM 1269 O PRO A 87 -0.143 4.118 -17.094 1.00 0.00 O ATOM 1270 CB PRO A 87 -3.025 3.420 -15.623 1.00 0.00 C ATOM 1271 CG PRO A 87 -4.002 3.893 -16.744 1.00 0.00 C ATOM 1272 CD PRO A 87 -3.508 5.261 -17.234 1.00 0.00 C ATOM 0 HA PRO A 87 -1.733 4.827 -14.502 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.613 2.440 -15.861 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.549 3.323 -14.672 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.022 3.175 -17.564 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.020 3.967 -16.361 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.245 5.229 -18.291 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.279 6.023 -17.120 1.00 0.00 H new ATOM 1280 N ILE A 88 0.012 3.044 -15.160 1.00 0.00 N ATOM 1281 CA ILE A 88 1.291 2.413 -15.570 1.00 0.00 C ATOM 1282 C ILE A 88 1.446 1.049 -14.921 1.00 0.00 C ATOM 1283 O ILE A 88 0.988 0.835 -13.816 1.00 0.00 O ATOM 1284 CB ILE A 88 2.447 3.315 -15.130 1.00 0.00 C ATOM 1285 CG1 ILE A 88 3.767 2.577 -15.306 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.268 3.659 -13.642 1.00 0.00 C ATOM 1287 CD1 ILE A 88 4.879 3.594 -15.574 1.00 0.00 C ATOM 0 H ILE A 88 -0.326 2.797 -14.230 1.00 0.00 H new ATOM 0 HA ILE A 88 1.296 2.286 -16.653 1.00 0.00 H new ATOM 0 HB ILE A 88 2.452 4.223 -15.733 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.996 1.997 -14.412 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.696 1.871 -16.134 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.086 4.302 -13.316 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.320 4.178 -13.500 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.271 2.742 -13.054 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.827 3.071 -15.701 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.649 4.154 -16.480 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.954 4.282 -14.732 1.00 0.00 H new ATOM 1299 N SER A 89 2.089 0.146 -15.623 1.00 0.00 N ATOM 1300 CA SER A 89 2.281 -1.217 -15.060 1.00 0.00 C ATOM 1301 C SER A 89 3.697 -1.712 -15.264 1.00 0.00 C ATOM 1302 O SER A 89 4.391 -1.289 -16.165 1.00 0.00 O ATOM 1303 CB SER A 89 1.325 -2.180 -15.779 1.00 0.00 C ATOM 1304 OG SER A 89 0.197 -1.382 -16.098 1.00 0.00 O ATOM 0 H SER A 89 2.483 0.297 -16.552 1.00 0.00 H new ATOM 0 HA SER A 89 2.081 -1.176 -13.989 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.782 -2.599 -16.676 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.051 -3.019 -15.140 1.00 0.00 H new ATOM 0 HG SER A 89 -0.468 -1.928 -16.566 1.00 0.00 H new ATOM 1310 N ILE A 90 4.093 -2.611 -14.411 1.00 0.00 N ATOM 1311 CA ILE A 90 5.452 -3.170 -14.511 1.00 0.00 C ATOM 1312 C ILE A 90 5.437 -4.650 -14.137 1.00 0.00 C ATOM 1313 O ILE A 90 4.707 -5.063 -13.250 1.00 0.00 O ATOM 1314 CB ILE A 90 6.361 -2.417 -13.532 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.526 -1.470 -12.666 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.364 -1.576 -14.342 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.429 -0.792 -11.628 1.00 0.00 C ATOM 0 H ILE A 90 3.526 -2.980 -13.648 1.00 0.00 H new ATOM 0 HA ILE A 90 5.817 -3.064 -15.533 1.00 0.00 H new ATOM 0 HB ILE A 90 6.879 -3.134 -12.895 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.045 -0.718 -13.291 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.732 -2.024 -12.166 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.019 -1.034 -13.660 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.962 -2.232 -14.974 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.822 -0.866 -14.967 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.833 -0.118 -11.012 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.889 -1.551 -10.995 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.207 -0.225 -12.138 1.00 0.00 H new ATOM 1329 N ASN A 91 6.234 -5.428 -14.821 1.00 0.00 N ATOM 1330 CA ASN A 91 6.275 -6.874 -14.517 1.00 0.00 C ATOM 1331 C ASN A 91 7.187 -7.158 -13.334 1.00 0.00 C ATOM 1332 O ASN A 91 8.219 -6.534 -13.178 1.00 0.00 O ATOM 1333 CB ASN A 91 6.830 -7.607 -15.745 1.00 0.00 C ATOM 1334 CG ASN A 91 7.634 -6.626 -16.601 1.00 0.00 C ATOM 1335 OD1 ASN A 91 7.153 -6.110 -17.589 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.862 -6.345 -16.259 1.00 0.00 N ATOM 0 H ASN A 91 6.852 -5.120 -15.572 1.00 0.00 H new ATOM 0 HA ASN A 91 5.268 -7.212 -14.271 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.463 -8.437 -15.432 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.013 -8.032 -16.329 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.412 -5.695 -16.821 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.272 -6.775 -15.430 1.00 0.00 H new ATOM 1343 N TYR A 92 6.796 -8.099 -12.518 1.00 0.00 N ATOM 1344 CA TYR A 92 7.634 -8.434 -11.344 1.00 0.00 C ATOM 1345 C TYR A 92 7.322 -9.825 -10.827 1.00 0.00 C ATOM 1346 O TYR A 92 6.268 -10.062 -10.270 1.00 0.00 O ATOM 1347 CB TYR A 92 7.343 -7.427 -10.218 1.00 0.00 C ATOM 1348 CG TYR A 92 8.507 -7.440 -9.222 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.667 -8.485 -8.329 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.420 -6.409 -9.209 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.729 -8.492 -7.443 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.479 -6.417 -8.323 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.641 -7.458 -7.433 1.00 0.00 C ATOM 1354 OH TYR A 92 11.699 -7.464 -6.548 1.00 0.00 O ATOM 0 H TYR A 92 5.939 -8.643 -12.616 1.00 0.00 H new ATOM 0 HA TYR A 92 8.680 -8.394 -11.649 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.213 -6.427 -10.632 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.413 -7.686 -9.713 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.958 -9.300 -8.324 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.306 -5.586 -9.899 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.845 -9.315 -6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.187 -5.601 -8.327 1.00 0.00 H new ATOM 0 HH TYR A 92 12.242 -6.659 -6.681 1.00 0.00 H new ATOM 1364 N ARG A 93 8.237 -10.728 -11.030 1.00 0.00 N ATOM 1365 CA ARG A 93 8.001 -12.101 -10.550 1.00 0.00 C ATOM 1366 C ARG A 93 8.275 -12.160 -9.061 1.00 0.00 C ATOM 1367 O ARG A 93 9.387 -11.938 -8.626 1.00 0.00 O ATOM 1368 CB ARG A 93 8.953 -13.057 -11.292 1.00 0.00 C ATOM 1369 CG ARG A 93 10.410 -12.653 -11.007 1.00 0.00 C ATOM 1370 CD ARG A 93 11.259 -12.840 -12.276 1.00 0.00 C ATOM 1371 NE ARG A 93 12.677 -13.087 -11.878 1.00 0.00 N ATOM 1372 CZ ARG A 93 13.538 -12.105 -11.917 1.00 0.00 C ATOM 1373 NH1 ARG A 93 14.100 -11.803 -13.056 1.00 0.00 N ATOM 1374 NH2 ARG A 93 13.809 -11.461 -10.815 1.00 0.00 N ATOM 0 H ARG A 93 9.127 -10.571 -11.503 1.00 0.00 H new ATOM 0 HA ARG A 93 6.968 -12.394 -10.739 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.779 -14.084 -10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.758 -13.022 -12.364 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.452 -11.614 -10.680 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.813 -13.259 -10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.881 -13.677 -12.862 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.194 -11.954 -12.907 1.00 0.00 H new ATOM 0 HE ARG A 93 12.971 -14.016 -11.578 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.865 -12.331 -13.897 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.774 -11.039 -13.105 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.351 -11.727 -9.943 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.478 -10.692 -10.825 1.00 0.00 H new ATOM 1388 N THR A 94 7.248 -12.459 -8.302 1.00 0.00 N ATOM 1389 CA THR A 94 7.425 -12.534 -6.819 1.00 0.00 C ATOM 1390 C THR A 94 7.212 -13.955 -6.316 1.00 0.00 C ATOM 1391 O THR A 94 6.700 -14.734 -7.098 1.00 0.00 O ATOM 1392 CB THR A 94 6.381 -11.612 -6.166 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.712 -10.991 -7.244 1.00 0.00 O ATOM 1394 CG2 THR A 94 7.060 -10.446 -5.409 1.00 0.00 C ATOM 1395 OXT THR A 94 7.574 -14.184 -5.174 1.00 0.00 O ATOM 0 H THR A 94 6.306 -12.652 -8.641 1.00 0.00 H new ATOM 0 HA THR A 94 8.439 -12.227 -6.563 1.00 0.00 H new ATOM 0 HB THR A 94 5.754 -12.190 -5.487 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.025 -10.385 -6.897 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.297 -9.812 -4.958 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.707 -10.847 -4.628 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.656 -9.857 -6.107 1.00 0.00 H new