USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -62:sc= 0.357 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0.722 K(o=0.72,f=-2.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 29:sc= 0.00899 USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 -5.577 -15.249 -2.193 1.00 0.00 N ATOM 70 CA GLU A 6 -6.428 -14.394 -3.166 1.00 0.00 C ATOM 71 C GLU A 6 -5.945 -12.901 -3.233 1.00 0.00 C ATOM 72 O GLU A 6 -5.891 -12.188 -2.197 1.00 0.00 O ATOM 73 CB GLU A 6 -8.038 -14.503 -2.868 1.00 0.00 C ATOM 74 CG GLU A 6 -8.775 -15.916 -3.051 1.00 0.00 C ATOM 75 CD GLU A 6 -8.999 -16.417 -4.519 1.00 0.00 C ATOM 76 OE1 GLU A 6 -8.109 -17.126 -5.055 1.00 0.00 O ATOM 77 OE2 GLU A 6 -10.068 -16.109 -5.103 1.00 0.00 O ATOM 0 HA GLU A 6 -6.267 -14.823 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.204 -14.177 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.541 -13.785 -3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.196 -16.671 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.747 -15.857 -2.561 1.00 0.00 H new ATOM 84 N TYR A 7 -5.574 -12.459 -4.515 1.00 0.00 N ATOM 85 CA TYR A 7 -4.986 -11.071 -4.867 1.00 0.00 C ATOM 86 C TYR A 7 -6.008 -10.135 -5.619 1.00 0.00 C ATOM 87 O TYR A 7 -6.853 -10.630 -6.449 1.00 0.00 O ATOM 88 CB TYR A 7 -3.628 -11.225 -5.732 1.00 0.00 C ATOM 89 CG TYR A 7 -2.409 -12.028 -5.119 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.313 -13.435 -5.224 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.363 -11.360 -4.505 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.236 -14.123 -4.723 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.257 -12.053 -4.005 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.204 -13.432 -4.115 1.00 0.00 C ATOM 95 OH TYR A 7 0.886 -14.117 -3.627 1.00 0.00 O ATOM 0 H TYR A 7 -5.674 -13.056 -5.336 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.758 -10.588 -3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.893 -11.701 -6.676 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.274 -10.222 -5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.107 -13.982 -5.711 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.402 -10.285 -4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.195 -15.199 -4.803 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.553 -11.515 -3.535 1.00 0.00 H new ATOM 0 HH TYR A 7 1.520 -13.483 -3.232 1.00 0.00 H new ATOM 105 N GLU A 8 -5.911 -8.739 -5.293 1.00 0.00 N ATOM 106 CA GLU A 8 -6.814 -7.637 -5.870 1.00 0.00 C ATOM 107 C GLU A 8 -5.939 -6.435 -6.465 1.00 0.00 C ATOM 108 O GLU A 8 -4.956 -5.958 -5.813 1.00 0.00 O ATOM 109 CB GLU A 8 -7.930 -7.148 -4.747 1.00 0.00 C ATOM 110 CG GLU A 8 -9.262 -6.361 -5.216 1.00 0.00 C ATOM 111 CD GLU A 8 -10.348 -7.206 -5.961 1.00 0.00 C ATOM 112 OE1 GLU A 8 -11.244 -7.766 -5.280 1.00 0.00 O ATOM 113 OE2 GLU A 8 -10.297 -7.277 -7.214 1.00 0.00 O ATOM 0 H GLU A 8 -5.216 -8.380 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.381 -8.042 -6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.253 -8.036 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.411 -6.509 -4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.723 -5.915 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.962 -5.541 -5.868 1.00 0.00 H new ATOM 120 N GLU A 9 -6.336 -6.000 -7.756 1.00 0.00 N ATOM 121 CA GLU A 9 -5.751 -4.826 -8.538 1.00 0.00 C ATOM 122 C GLU A 9 -6.735 -3.569 -8.588 1.00 0.00 C ATOM 123 O GLU A 9 -7.866 -3.663 -9.182 1.00 0.00 O ATOM 124 CB GLU A 9 -5.111 -5.251 -9.991 1.00 0.00 C ATOM 125 CG GLU A 9 -6.019 -5.998 -11.094 1.00 0.00 C ATOM 126 CD GLU A 9 -5.279 -6.337 -12.405 1.00 0.00 C ATOM 127 OE1 GLU A 9 -5.296 -5.495 -13.343 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.710 -7.457 -12.505 1.00 0.00 O ATOM 0 H GLU A 9 -7.079 -6.472 -8.271 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.887 -4.486 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.726 -4.341 -10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.254 -5.894 -9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.409 -6.920 -10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.877 -5.368 -11.328 1.00 0.00 H new ATOM 135 N ILE A 10 -6.285 -2.413 -7.895 1.00 0.00 N ATOM 136 CA ILE A 10 -7.074 -1.082 -7.791 1.00 0.00 C ATOM 137 C ILE A 10 -6.276 0.068 -8.611 1.00 0.00 C ATOM 138 O ILE A 10 -5.016 0.127 -8.564 1.00 0.00 O ATOM 139 CB ILE A 10 -7.426 -0.681 -6.156 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.277 -1.844 -5.413 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.152 0.762 -5.923 1.00 0.00 C ATOM 142 CD1 ILE A 10 -7.868 -2.142 -3.936 1.00 0.00 C ATOM 0 H ILE A 10 -5.389 -2.383 -7.408 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.054 -1.185 -8.257 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.438 -0.595 -5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.331 -1.565 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.181 -2.764 -5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.328 0.913 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.510 1.558 -6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.104 0.780 -6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.500 -2.935 -3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.825 -2.458 -3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.992 -1.241 -3.335 1.00 0.00 H new ATOM 154 N THR A 11 -7.096 0.942 -9.365 1.00 0.00 N ATOM 155 CA THR A 11 -6.615 2.171 -10.138 1.00 0.00 C ATOM 156 C THR A 11 -7.358 3.468 -9.556 1.00 0.00 C ATOM 157 O THR A 11 -8.634 3.552 -9.542 1.00 0.00 O ATOM 158 CB THR A 11 -6.773 2.034 -11.787 1.00 0.00 C ATOM 159 OG1 THR A 11 -6.487 0.681 -12.215 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.750 2.943 -12.562 1.00 0.00 C ATOM 0 H THR A 11 -8.103 0.801 -9.444 1.00 0.00 H new ATOM 0 HA THR A 11 -5.540 2.266 -9.985 1.00 0.00 H new ATOM 0 HB THR A 11 -7.798 2.332 -12.008 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.586 0.618 -13.188 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.893 2.818 -13.635 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.914 3.986 -12.293 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.733 2.655 -12.296 1.00 0.00 H new ATOM 168 N LEU A 12 -6.471 4.441 -9.072 1.00 0.00 N ATOM 169 CA LEU A 12 -6.823 5.794 -8.481 1.00 0.00 C ATOM 170 C LEU A 12 -6.310 6.988 -9.368 1.00 0.00 C ATOM 171 O LEU A 12 -5.204 6.913 -9.992 1.00 0.00 O ATOM 172 CB LEU A 12 -6.231 5.989 -6.952 1.00 0.00 C ATOM 173 CG LEU A 12 -6.825 5.236 -5.678 1.00 0.00 C ATOM 174 CD1 LEU A 12 -5.874 5.446 -4.519 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.228 5.763 -5.251 1.00 0.00 C ATOM 0 H LEU A 12 -5.463 4.288 -9.089 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.912 5.811 -8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.173 5.730 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.289 7.055 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.936 4.185 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.260 4.939 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.896 5.038 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.780 6.512 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.575 5.209 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.159 6.822 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.933 5.627 -6.071 1.00 0.00 H new ATOM 284 N GLY A 20 -6.385 9.632 0.595 1.00 0.00 N ATOM 285 CA GLY A 20 -7.297 9.356 1.753 1.00 0.00 C ATOM 286 C GLY A 20 -6.872 8.167 2.605 1.00 0.00 C ATOM 287 O GLY A 20 -7.757 7.453 3.135 1.00 0.00 O ATOM 0 HA2 GLY A 20 -7.345 10.243 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.304 9.178 1.375 1.00 0.00 H new ATOM 291 N PHE A 21 -5.443 7.947 2.739 1.00 0.00 N ATOM 292 CA PHE A 21 -4.734 6.858 3.521 1.00 0.00 C ATOM 293 C PHE A 21 -3.211 7.316 3.849 1.00 0.00 C ATOM 294 O PHE A 21 -2.738 8.368 3.291 1.00 0.00 O ATOM 295 CB PHE A 21 -4.817 5.399 2.715 1.00 0.00 C ATOM 296 CG PHE A 21 -4.058 5.152 1.311 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.425 5.816 0.083 1.00 0.00 C ATOM 298 CD2 PHE A 21 -3.028 4.210 1.259 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.763 5.514 -1.104 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.380 3.913 0.059 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.751 4.561 -1.115 1.00 0.00 C ATOM 0 H PHE A 21 -4.777 8.565 2.276 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.238 6.707 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.455 4.637 3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.874 5.196 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.217 6.550 0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.728 3.702 2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.036 6.021 -2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.589 3.178 0.042 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.249 4.322 -2.041 1.00 0.00 H new ATOM 311 N SER A 22 -2.450 6.530 4.803 1.00 0.00 N ATOM 312 CA SER A 22 -0.949 6.665 5.046 1.00 0.00 C ATOM 313 C SER A 22 -0.269 5.238 5.129 1.00 0.00 C ATOM 314 O SER A 22 -0.863 4.272 5.729 1.00 0.00 O ATOM 315 CB SER A 22 -0.584 7.577 6.282 1.00 0.00 C ATOM 316 OG SER A 22 -1.077 8.909 6.156 1.00 0.00 O ATOM 0 H SER A 22 -2.883 5.816 5.389 1.00 0.00 H new ATOM 0 HA SER A 22 -0.538 7.191 4.184 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.990 7.129 7.189 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.499 7.606 6.398 1.00 0.00 H new ATOM 0 HG SER A 22 -0.670 9.336 5.374 1.00 0.00 H new ATOM 322 N ILE A 23 1.020 5.123 4.520 1.00 0.00 N ATOM 323 CA ILE A 23 1.826 3.791 4.340 1.00 0.00 C ATOM 324 C ILE A 23 3.201 3.632 5.060 1.00 0.00 C ATOM 325 O ILE A 23 4.126 4.471 4.901 1.00 0.00 O ATOM 326 CB ILE A 23 1.837 3.142 2.831 1.00 0.00 C ATOM 327 CG1 ILE A 23 2.078 4.104 1.546 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.563 2.382 2.655 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.484 4.719 1.263 1.00 0.00 C ATOM 0 H ILE A 23 1.516 5.934 4.149 1.00 0.00 H new ATOM 0 HA ILE A 23 1.166 3.168 4.944 1.00 0.00 H new ATOM 0 HB ILE A 23 2.741 2.533 2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.793 3.535 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.376 4.934 1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.539 1.937 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.502 1.594 3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.283 3.059 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.439 5.330 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.787 5.339 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.210 3.918 1.123 1.00 0.00 H new ATOM 341 N ALA A 24 3.285 2.451 5.865 1.00 0.00 N ATOM 342 CA ALA A 24 4.484 2.012 6.684 1.00 0.00 C ATOM 343 C ALA A 24 5.279 0.853 5.940 1.00 0.00 C ATOM 344 O ALA A 24 4.731 -0.265 5.696 1.00 0.00 O ATOM 345 CB ALA A 24 4.039 1.621 8.160 1.00 0.00 C ATOM 0 H ALA A 24 2.505 1.799 5.942 1.00 0.00 H new ATOM 0 HA ALA A 24 5.178 2.846 6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.912 1.309 8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.579 2.484 8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.321 0.802 8.119 1.00 0.00 H new ATOM 351 N GLY A 25 6.581 1.190 5.599 1.00 0.00 N ATOM 352 CA GLY A 25 7.541 0.323 4.803 1.00 0.00 C ATOM 353 C GLY A 25 9.013 0.633 5.080 1.00 0.00 C ATOM 354 O GLY A 25 9.334 1.778 5.558 1.00 0.00 O ATOM 0 H GLY A 25 6.996 2.081 5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.349 -0.725 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.343 0.457 3.740 1.00 0.00 H new ATOM 358 N GLY A 26 9.924 -0.397 4.767 1.00 0.00 N ATOM 359 CA GLY A 26 11.386 -0.267 5.137 1.00 0.00 C ATOM 360 C GLY A 26 12.335 -1.426 4.874 1.00 0.00 C ATOM 361 O GLY A 26 11.969 -2.619 5.057 1.00 0.00 O ATOM 0 H GLY A 26 9.676 -1.264 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.779 0.602 4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.434 -0.042 6.203 1.00 0.00 H new ATOM 365 N THR A 27 13.596 -1.016 4.404 1.00 0.00 N ATOM 366 CA THR A 27 14.889 -1.873 4.396 1.00 0.00 C ATOM 367 C THR A 27 15.871 -1.519 5.599 1.00 0.00 C ATOM 368 O THR A 27 16.459 -2.464 6.210 1.00 0.00 O ATOM 369 CB THR A 27 15.695 -1.975 3.005 1.00 0.00 C ATOM 370 OG1 THR A 27 15.789 -0.726 2.298 1.00 0.00 O ATOM 371 CG2 THR A 27 15.186 -3.108 2.106 1.00 0.00 C ATOM 0 H THR A 27 13.747 -0.083 4.020 1.00 0.00 H new ATOM 0 HA THR A 27 14.489 -2.877 4.541 1.00 0.00 H new ATOM 0 HB THR A 27 16.715 -2.231 3.290 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.290 -0.858 1.466 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.766 -3.129 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.295 -4.061 2.624 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.135 -2.941 1.870 1.00 0.00 H new ATOM 379 N ASP A 28 16.008 -0.121 5.931 1.00 0.00 N ATOM 380 CA ASP A 28 16.800 0.422 7.131 1.00 0.00 C ATOM 381 C ASP A 28 15.905 0.991 8.345 1.00 0.00 C ATOM 382 O ASP A 28 16.348 0.915 9.536 1.00 0.00 O ATOM 383 CB ASP A 28 18.111 1.333 6.771 1.00 0.00 C ATOM 384 CG ASP A 28 17.970 2.552 5.822 1.00 0.00 C ATOM 385 OD1 ASP A 28 17.429 3.599 6.255 1.00 0.00 O ATOM 386 OD2 ASP A 28 18.448 2.456 4.673 1.00 0.00 O ATOM 0 H ASP A 28 15.576 0.616 5.374 1.00 0.00 H new ATOM 0 HA ASP A 28 17.241 -0.489 7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.519 1.700 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.858 0.669 6.337 1.00 0.00 H new ATOM 391 N ASN A 29 14.614 1.518 7.997 1.00 0.00 N ATOM 392 CA ASN A 29 13.574 2.086 8.961 1.00 0.00 C ATOM 393 C ASN A 29 12.366 1.012 9.308 1.00 0.00 C ATOM 394 O ASN A 29 11.470 0.800 8.426 1.00 0.00 O ATOM 395 CB ASN A 29 13.043 3.554 8.524 1.00 0.00 C ATOM 396 CG ASN A 29 14.047 4.721 8.775 1.00 0.00 C ATOM 397 OD1 ASN A 29 14.058 5.327 9.854 1.00 0.00 O ATOM 398 ND2 ASN A 29 14.867 5.047 7.766 1.00 0.00 N ATOM 0 H ASN A 29 14.295 1.547 7.029 1.00 0.00 H new ATOM 0 HA ASN A 29 14.091 2.245 9.907 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.793 3.532 7.463 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.121 3.766 9.065 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.528 5.817 7.874 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.830 4.525 6.890 1.00 0.00 H new ATOM 501 N SER A 37 8.453 -6.096 3.728 1.00 0.00 N ATOM 502 CA SER A 37 7.073 -5.788 3.079 1.00 0.00 C ATOM 503 C SER A 37 6.380 -4.419 3.567 1.00 0.00 C ATOM 504 O SER A 37 6.486 -4.052 4.781 1.00 0.00 O ATOM 505 CB SER A 37 6.096 -7.053 3.192 1.00 0.00 C ATOM 506 OG SER A 37 5.876 -7.496 4.546 1.00 0.00 O ATOM 0 HA SER A 37 7.277 -5.605 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.136 -6.801 2.741 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.514 -7.877 2.613 1.00 0.00 H new ATOM 0 HG SER A 37 5.272 -8.267 4.544 1.00 0.00 H new ATOM 512 N ILE A 38 5.662 -3.681 2.554 1.00 0.00 N ATOM 513 CA ILE A 38 4.974 -2.311 2.751 1.00 0.00 C ATOM 514 C ILE A 38 3.390 -2.542 3.091 1.00 0.00 C ATOM 515 O ILE A 38 2.583 -2.923 2.218 1.00 0.00 O ATOM 516 CB ILE A 38 5.272 -1.183 1.461 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.761 -1.226 0.636 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.925 0.321 1.818 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.142 -1.527 1.384 1.00 0.00 C ATOM 0 H ILE A 38 5.560 -4.034 1.603 1.00 0.00 H new ATOM 0 HA ILE A 38 5.430 -1.819 3.610 1.00 0.00 H new ATOM 0 HB ILE A 38 4.556 -1.591 0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.662 -1.974 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.875 -0.260 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.140 0.958 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.868 0.400 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.528 0.642 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.959 -1.504 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.313 -0.771 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.097 -2.511 1.850 1.00 0.00 H new ATOM 531 N PHE A 39 3.049 -2.252 4.428 1.00 0.00 N ATOM 532 CA PHE A 39 1.739 -2.529 5.173 1.00 0.00 C ATOM 533 C PHE A 39 0.988 -1.164 5.582 1.00 0.00 C ATOM 534 O PHE A 39 1.657 -0.097 5.841 1.00 0.00 O ATOM 535 CB PHE A 39 2.147 -3.510 6.449 1.00 0.00 C ATOM 536 CG PHE A 39 1.112 -4.040 7.546 1.00 0.00 C ATOM 537 CD1 PHE A 39 0.027 -4.886 7.246 1.00 0.00 C ATOM 538 CD2 PHE A 39 1.327 -3.717 8.880 1.00 0.00 C ATOM 539 CE1 PHE A 39 -0.801 -5.371 8.255 1.00 0.00 C ATOM 540 CE2 PHE A 39 0.499 -4.195 9.890 1.00 0.00 C ATOM 541 CZ PHE A 39 -0.562 -5.023 9.575 1.00 0.00 C ATOM 0 H PHE A 39 3.724 -1.794 5.040 1.00 0.00 H new ATOM 0 HA PHE A 39 1.002 -3.037 4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.607 -4.397 6.014 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.927 -2.983 6.998 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.165 -5.162 6.220 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.158 -3.078 9.139 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.630 -6.018 8.009 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.685 -3.920 10.918 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.205 -5.399 10.357 1.00 0.00 H new ATOM 551 N ILE A 40 -0.447 -1.245 5.620 1.00 0.00 N ATOM 552 CA ILE A 40 -1.421 -0.105 5.990 1.00 0.00 C ATOM 553 C ILE A 40 -1.628 -0.041 7.580 1.00 0.00 C ATOM 554 O ILE A 40 -1.720 -1.097 8.284 1.00 0.00 O ATOM 555 CB ILE A 40 -2.914 -0.155 5.174 1.00 0.00 C ATOM 556 CG1 ILE A 40 -2.972 -0.929 3.705 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.651 1.265 5.082 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.079 -0.411 2.541 1.00 0.00 C ATOM 0 H ILE A 40 -0.937 -2.110 5.392 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.947 0.814 5.647 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.470 -0.809 5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.717 -1.975 3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.006 -0.905 3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.595 1.151 4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.845 1.640 6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.015 1.971 4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.239 -1.028 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.340 0.623 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.031 -0.464 2.835 1.00 0.00 H new ATOM 570 N THR A 41 -1.734 1.261 8.050 1.00 0.00 N ATOM 571 CA THR A 41 -1.734 1.727 9.506 1.00 0.00 C ATOM 572 C THR A 41 -2.834 2.880 9.708 1.00 0.00 C ATOM 573 O THR A 41 -3.535 2.846 10.767 1.00 0.00 O ATOM 574 CB THR A 41 -0.208 2.228 9.983 1.00 0.00 C ATOM 575 OG1 THR A 41 0.788 1.289 9.549 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.007 2.370 11.515 1.00 0.00 C ATOM 0 H THR A 41 -1.825 2.045 7.404 1.00 0.00 H new ATOM 0 HA THR A 41 -2.001 0.886 10.146 1.00 0.00 H new ATOM 0 HB THR A 41 -0.108 3.212 9.525 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.674 1.597 9.834 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.012 2.699 11.719 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.711 3.104 11.908 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.181 1.407 11.996 1.00 0.00 H new ATOM 584 N LYS A 42 -2.982 3.880 8.656 1.00 0.00 N ATOM 585 CA LYS A 42 -3.903 5.065 8.763 1.00 0.00 C ATOM 586 C LYS A 42 -4.888 5.137 7.523 1.00 0.00 C ATOM 587 O LYS A 42 -4.461 4.967 6.336 1.00 0.00 O ATOM 588 CB LYS A 42 -3.017 6.422 8.982 1.00 0.00 C ATOM 589 CG LYS A 42 -3.587 7.586 9.870 1.00 0.00 C ATOM 590 CD LYS A 42 -4.459 8.626 9.087 1.00 0.00 C ATOM 591 CE LYS A 42 -4.873 9.844 9.936 1.00 0.00 C ATOM 592 NZ LYS A 42 -6.011 9.592 10.915 1.00 0.00 N ATOM 0 H LYS A 42 -2.469 3.841 7.776 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.548 4.959 9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.061 6.122 9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.807 6.837 7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.188 7.155 10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.755 8.109 10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.903 8.972 8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.356 8.130 8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.004 10.190 10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.164 10.653 9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.218 10.466 11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.859 9.293 10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.735 8.845 11.583 1.00 0.00 H new ATOM 606 N ILE A 43 -6.242 5.314 7.879 1.00 0.00 N ATOM 607 CA ILE A 43 -7.402 5.539 6.937 1.00 0.00 C ATOM 608 C ILE A 43 -8.153 6.897 7.366 1.00 0.00 C ATOM 609 O ILE A 43 -8.546 7.063 8.566 1.00 0.00 O ATOM 610 CB ILE A 43 -8.442 4.142 6.796 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.714 2.774 6.197 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.900 4.345 6.129 1.00 0.00 C ATOM 613 CD1 ILE A 43 -7.020 2.790 4.756 1.00 0.00 C ATOM 0 H ILE A 43 -6.540 5.300 8.854 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.032 5.671 5.920 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.643 3.986 7.856 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.954 2.472 6.917 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.469 1.988 6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.428 3.391 6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.471 5.065 6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.786 4.716 5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.602 1.806 4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.762 3.041 3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.223 3.533 4.744 1.00 0.00 H new ATOM 625 N ILE A 44 -8.326 7.833 6.323 1.00 0.00 N ATOM 626 CA ILE A 44 -9.128 9.155 6.400 1.00 0.00 C ATOM 627 C ILE A 44 -10.773 8.884 6.193 1.00 0.00 C ATOM 628 O ILE A 44 -11.126 8.190 5.205 1.00 0.00 O ATOM 629 CB ILE A 44 -8.433 10.385 5.393 1.00 0.00 C ATOM 630 CG1 ILE A 44 -7.012 10.931 5.884 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.306 11.652 5.064 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.788 10.061 5.644 1.00 0.00 C ATOM 0 H ILE A 44 -7.910 7.688 5.403 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.047 9.564 7.407 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.343 9.796 4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.838 11.892 5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.080 11.122 6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.738 12.330 4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.215 11.344 4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.571 12.162 5.990 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.902 10.565 6.031 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.915 9.106 6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.669 9.888 4.574 1.00 0.00 H new ATOM 644 N PRO A 45 -11.803 9.474 7.174 1.00 0.00 N ATOM 645 CA PRO A 45 -13.354 9.288 7.044 1.00 0.00 C ATOM 646 C PRO A 45 -14.093 9.947 5.736 1.00 0.00 C ATOM 647 O PRO A 45 -15.199 9.450 5.337 1.00 0.00 O ATOM 648 CB PRO A 45 -13.906 9.886 8.399 1.00 0.00 C ATOM 649 CG PRO A 45 -12.724 9.952 9.332 1.00 0.00 C ATOM 650 CD PRO A 45 -11.535 10.286 8.468 1.00 0.00 C ATOM 0 HA PRO A 45 -13.577 8.234 6.876 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.336 10.875 8.243 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.695 9.257 8.811 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.874 10.711 10.100 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.579 9.002 9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.470 11.355 8.267 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.598 9.993 8.941 1.00 0.00 H new ATOM 658 N GLY A 46 -13.410 11.029 5.101 1.00 0.00 N ATOM 659 CA GLY A 46 -13.891 11.750 3.867 1.00 0.00 C ATOM 660 C GLY A 46 -12.840 11.904 2.721 1.00 0.00 C ATOM 661 O GLY A 46 -12.805 12.995 2.088 1.00 0.00 O ATOM 0 H GLY A 46 -12.525 11.395 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.757 11.219 3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.232 12.743 4.158 1.00 0.00 H new ATOM 665 N GLY A 47 -11.967 10.784 2.469 1.00 0.00 N ATOM 666 CA GLY A 47 -10.951 10.689 1.339 1.00 0.00 C ATOM 667 C GLY A 47 -11.442 9.999 0.009 1.00 0.00 C ATOM 668 O GLY A 47 -12.630 9.600 -0.118 1.00 0.00 O ATOM 0 H GLY A 47 -11.976 9.951 3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.615 11.697 1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.082 10.143 1.706 1.00 0.00 H new ATOM 672 N ALA A 48 -10.443 9.887 -0.979 1.00 0.00 N ATOM 673 CA ALA A 48 -10.545 9.332 -2.407 1.00 0.00 C ATOM 674 C ALA A 48 -10.487 7.722 -2.520 1.00 0.00 C ATOM 675 O ALA A 48 -11.237 7.150 -3.340 1.00 0.00 O ATOM 676 CB ALA A 48 -9.475 10.051 -3.327 1.00 0.00 C ATOM 0 H ALA A 48 -9.493 10.202 -0.781 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.547 9.566 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.545 9.659 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.667 11.124 -3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.475 9.866 -2.935 1.00 0.00 H new ATOM 682 N ALA A 49 -9.565 7.022 -1.651 1.00 0.00 N ATOM 683 CA ALA A 49 -9.378 5.482 -1.532 1.00 0.00 C ATOM 684 C ALA A 49 -10.440 4.707 -0.596 1.00 0.00 C ATOM 685 O ALA A 49 -10.705 3.471 -0.823 1.00 0.00 O ATOM 686 CB ALA A 49 -7.931 5.164 -1.133 1.00 0.00 C ATOM 0 H ALA A 49 -8.942 7.530 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.593 5.089 -2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.805 4.084 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.251 5.552 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.708 5.629 -0.173 1.00 0.00 H new ATOM 692 N ALA A 50 -11.065 5.486 0.449 1.00 0.00 N ATOM 693 CA ALA A 50 -12.130 5.013 1.444 1.00 0.00 C ATOM 694 C ALA A 50 -13.632 5.053 0.853 1.00 0.00 C ATOM 695 O ALA A 50 -14.410 4.084 1.085 1.00 0.00 O ATOM 696 CB ALA A 50 -12.003 5.817 2.786 1.00 0.00 C ATOM 0 H ALA A 50 -10.817 6.464 0.597 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.938 3.959 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.763 5.475 3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.014 5.655 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.143 6.880 2.588 1.00 0.00 H new ATOM 702 N GLN A 51 -13.992 6.212 0.055 1.00 0.00 N ATOM 703 CA GLN A 51 -15.330 6.472 -0.654 1.00 0.00 C ATOM 704 C GLN A 51 -15.409 5.940 -2.174 1.00 0.00 C ATOM 705 O GLN A 51 -16.326 5.127 -2.473 1.00 0.00 O ATOM 706 CB GLN A 51 -15.732 8.029 -0.557 1.00 0.00 C ATOM 707 CG GLN A 51 -16.054 8.616 0.882 1.00 0.00 C ATOM 708 CD GLN A 51 -17.551 8.601 1.335 1.00 0.00 C ATOM 709 OE1 GLN A 51 -18.301 9.556 1.081 1.00 0.00 O ATOM 710 NE2 GLN A 51 -17.966 7.537 2.043 1.00 0.00 N ATOM 0 H GLN A 51 -13.332 6.975 -0.092 1.00 0.00 H new ATOM 0 HA GLN A 51 -16.064 5.873 -0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.917 8.614 -0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.605 8.191 -1.189 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -15.473 8.056 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.700 9.646 0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.323 6.769 2.234 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.924 7.497 2.390 1.00 0.00 H new ATOM 719 N ASP A 52 -14.405 6.414 -3.122 1.00 0.00 N ATOM 720 CA ASP A 52 -14.379 6.138 -4.636 1.00 0.00 C ATOM 721 C ASP A 52 -13.572 4.840 -5.151 1.00 0.00 C ATOM 722 O ASP A 52 -14.038 4.192 -6.142 1.00 0.00 O ATOM 723 CB ASP A 52 -13.943 7.448 -5.428 1.00 0.00 C ATOM 724 CG ASP A 52 -15.039 8.536 -5.600 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.149 9.423 -4.718 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.764 8.500 -6.625 1.00 0.00 O ATOM 0 H ASP A 52 -13.617 6.988 -2.822 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.411 5.869 -4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.093 7.895 -4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.595 7.151 -6.417 1.00 0.00 H new ATOM 731 N GLY A 53 -12.396 4.447 -4.422 1.00 0.00 N ATOM 732 CA GLY A 53 -11.412 3.332 -4.842 1.00 0.00 C ATOM 733 C GLY A 53 -11.742 1.865 -4.405 1.00 0.00 C ATOM 734 O GLY A 53 -11.679 0.951 -5.255 1.00 0.00 O ATOM 0 H GLY A 53 -12.127 4.898 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.332 3.348 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.429 3.586 -4.446 1.00 0.00 H new ATOM 738 N ARG A 54 -12.099 1.669 -3.029 1.00 0.00 N ATOM 739 CA ARG A 54 -12.464 0.348 -2.239 1.00 0.00 C ATOM 740 C ARG A 54 -11.240 -0.424 -1.561 1.00 0.00 C ATOM 741 O ARG A 54 -10.918 -1.638 -1.875 1.00 0.00 O ATOM 742 CB ARG A 54 -13.611 -0.612 -2.859 1.00 0.00 C ATOM 743 CG ARG A 54 -15.058 -0.087 -2.788 1.00 0.00 C ATOM 744 CD ARG A 54 -16.054 -1.098 -3.360 1.00 0.00 C ATOM 745 NE ARG A 54 -17.490 -0.599 -3.284 1.00 0.00 N ATOM 746 CZ ARG A 54 -18.707 -1.280 -3.565 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.786 -2.590 -3.969 1.00 0.00 N ATOM 748 NH2 ARG A 54 -19.843 -0.609 -3.424 1.00 0.00 N ATOM 0 H ARG A 54 -12.142 2.475 -2.405 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.994 0.791 -1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.368 -0.803 -3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.570 -1.571 -2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.316 0.132 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.133 0.850 -3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.799 -1.308 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.969 -2.038 -2.814 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.596 0.371 -2.986 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.935 -3.140 -4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.696 -3.013 -4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.826 0.365 -3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.733 -1.067 -3.617 1.00 0.00 H new ATOM 762 N LEU A 55 -10.453 0.404 -0.716 1.00 0.00 N ATOM 763 CA LEU A 55 -9.338 -0.023 0.177 1.00 0.00 C ATOM 764 C LEU A 55 -9.711 0.120 1.731 1.00 0.00 C ATOM 765 O LEU A 55 -10.267 1.170 2.196 1.00 0.00 O ATOM 766 CB LEU A 55 -8.011 0.799 -0.263 1.00 0.00 C ATOM 767 CG LEU A 55 -6.624 0.663 0.471 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.689 -0.369 -0.164 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.026 2.010 0.482 1.00 0.00 C ATOM 0 H LEU A 55 -10.614 1.410 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.142 -1.089 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.830 0.554 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.277 1.855 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.781 0.286 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.754 -0.406 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.163 -1.350 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.483 -0.086 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.058 1.974 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.893 2.357 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.684 2.696 1.015 1.00 0.00 H new ATOM 781 N ARG A 56 -9.397 -1.021 2.461 1.00 0.00 N ATOM 782 CA ARG A 56 -9.388 -1.196 3.977 1.00 0.00 C ATOM 783 C ARG A 56 -7.888 -1.393 4.502 1.00 0.00 C ATOM 784 O ARG A 56 -6.999 -1.914 3.752 1.00 0.00 O ATOM 785 CB ARG A 56 -10.357 -2.391 4.468 1.00 0.00 C ATOM 786 CG ARG A 56 -11.855 -2.129 4.431 1.00 0.00 C ATOM 787 CD ARG A 56 -12.533 -3.343 4.971 1.00 0.00 C ATOM 788 NE ARG A 56 -14.044 -3.197 5.079 1.00 0.00 N ATOM 789 CZ ARG A 56 -15.022 -4.136 5.516 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.733 -5.407 5.950 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.294 -3.763 5.505 1.00 0.00 N ATOM 0 H ARG A 56 -9.131 -1.884 1.987 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.791 -0.284 4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.152 -3.267 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.084 -2.649 5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.106 -1.252 5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.184 -1.927 3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.303 -4.194 4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.126 -3.568 5.957 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.412 -2.289 4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.766 -5.730 5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.486 -6.027 6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.548 -2.827 5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.018 -4.412 5.812 1.00 0.00 H new ATOM 805 N VAL A 57 -7.631 -1.002 5.841 1.00 0.00 N ATOM 806 CA VAL A 57 -6.280 -1.051 6.625 1.00 0.00 C ATOM 807 C VAL A 57 -5.547 -2.535 6.723 1.00 0.00 C ATOM 808 O VAL A 57 -4.302 -2.638 6.913 1.00 0.00 O ATOM 809 CB VAL A 57 -6.486 -0.282 8.051 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.154 -0.945 9.242 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.444 0.681 8.415 1.00 0.00 C ATOM 0 H VAL A 57 -8.382 -0.632 6.424 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.533 -0.516 6.039 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.359 0.268 7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.181 -0.247 10.079 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.171 -1.232 8.975 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.590 -1.833 9.528 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.684 1.130 9.379 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.484 0.170 8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.388 1.461 7.655 1.00 0.00 H new ATOM 821 N ASN A 58 -6.443 -3.594 6.609 1.00 0.00 N ATOM 822 CA ASN A 58 -6.170 -5.041 6.620 1.00 0.00 C ATOM 823 C ASN A 58 -5.931 -5.664 5.094 1.00 0.00 C ATOM 824 O ASN A 58 -5.788 -6.924 4.953 1.00 0.00 O ATOM 825 CB ASN A 58 -7.379 -5.704 7.485 1.00 0.00 C ATOM 826 CG ASN A 58 -7.228 -7.194 8.058 1.00 0.00 C ATOM 827 OD1 ASN A 58 -8.219 -7.920 8.119 1.00 0.00 O ATOM 828 ND2 ASN A 58 -6.025 -7.605 8.533 1.00 0.00 N ATOM 0 H ASN A 58 -7.441 -3.412 6.500 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.220 -5.285 7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.569 -5.047 8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.273 -5.685 6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.931 -8.531 8.950 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.215 -6.988 8.473 1.00 0.00 H new ATOM 835 N ASP A 59 -5.816 -4.711 3.959 1.00 0.00 N ATOM 836 CA ASP A 59 -5.582 -5.143 2.472 1.00 0.00 C ATOM 837 C ASP A 59 -4.065 -5.410 2.042 1.00 0.00 C ATOM 838 O ASP A 59 -3.807 -6.305 1.168 1.00 0.00 O ATOM 839 CB ASP A 59 -6.335 -4.212 1.431 1.00 0.00 C ATOM 840 CG ASP A 59 -7.821 -4.567 1.186 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.690 -4.039 1.904 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.101 -5.364 0.254 1.00 0.00 O ATOM 0 H ASP A 59 -5.883 -3.700 4.079 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.043 -6.130 2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.277 -3.181 1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.806 -4.256 0.479 1.00 0.00 H new ATOM 847 N SER A 60 -3.031 -4.594 2.691 1.00 0.00 N ATOM 848 CA SER A 60 -1.441 -4.653 2.540 1.00 0.00 C ATOM 849 C SER A 60 -0.879 -4.757 1.026 1.00 0.00 C ATOM 850 O SER A 60 -1.187 -5.744 0.300 1.00 0.00 O ATOM 851 CB SER A 60 -0.797 -5.749 3.541 1.00 0.00 C ATOM 852 OG SER A 60 0.637 -5.679 3.640 1.00 0.00 O ATOM 0 H SER A 60 -3.302 -3.862 3.348 1.00 0.00 H new ATOM 0 HA SER A 60 -1.092 -3.668 2.851 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.227 -5.616 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.079 -6.746 3.202 1.00 0.00 H new ATOM 0 HG SER A 60 0.956 -6.367 4.261 1.00 0.00 H new ATOM 858 N ILE A 61 -0.003 -3.733 0.615 1.00 0.00 N ATOM 859 CA ILE A 61 0.600 -3.582 -0.820 1.00 0.00 C ATOM 860 C ILE A 61 1.942 -4.491 -0.983 1.00 0.00 C ATOM 861 O ILE A 61 2.856 -4.460 -0.111 1.00 0.00 O ATOM 862 CB ILE A 61 0.858 -1.944 -1.302 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.472 -1.014 -1.047 1.00 0.00 C ATOM 864 CG2 ILE A 61 1.290 -1.833 -2.873 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.288 0.552 -0.921 1.00 0.00 C ATOM 0 H ILE A 61 0.306 -2.997 1.250 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.154 -3.959 -1.511 1.00 0.00 H new ATOM 0 HB ILE A 61 1.674 -1.574 -0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.168 -1.201 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.952 -1.366 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.443 -0.786 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.215 -2.386 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.501 -2.252 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.258 1.020 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.371 0.775 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.151 0.942 -1.840 1.00 0.00 H new ATOM 877 N LEU A 62 1.963 -5.302 -2.151 1.00 0.00 N ATOM 878 CA LEU A 62 3.192 -6.028 -2.685 1.00 0.00 C ATOM 879 C LEU A 62 3.903 -5.229 -3.831 1.00 0.00 C ATOM 880 O LEU A 62 5.163 -5.105 -3.809 1.00 0.00 O ATOM 881 CB LEU A 62 2.940 -7.608 -3.058 1.00 0.00 C ATOM 882 CG LEU A 62 1.857 -8.080 -4.133 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.218 -9.439 -4.611 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.452 -8.157 -3.564 1.00 0.00 C ATOM 0 H LEU A 62 1.133 -5.455 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 62 3.889 -6.062 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.899 -8.006 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.691 -8.112 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 62 1.862 -7.341 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.486 -9.773 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.206 -9.413 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.227 -10.130 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.238 -8.483 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.432 -8.869 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.152 -7.174 -3.202 1.00 0.00 H new ATOM 896 N PHE A 63 3.032 -4.679 -4.848 1.00 0.00 N ATOM 897 CA PHE A 63 3.513 -3.930 -6.099 1.00 0.00 C ATOM 898 C PHE A 63 2.750 -2.599 -6.343 1.00 0.00 C ATOM 899 O PHE A 63 1.515 -2.554 -6.206 1.00 0.00 O ATOM 900 CB PHE A 63 3.462 -4.901 -7.429 1.00 0.00 C ATOM 901 CG PHE A 63 4.532 -6.065 -7.500 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.373 -7.259 -6.781 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.662 -5.931 -8.271 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.295 -8.266 -6.833 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.598 -6.933 -8.343 1.00 0.00 C ATOM 906 CZ PHE A 63 6.420 -8.115 -7.626 1.00 0.00 C ATOM 0 H PHE A 63 2.016 -4.756 -4.797 1.00 0.00 H new ATOM 0 HA PHE A 63 4.551 -3.656 -5.913 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.469 -5.347 -7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.582 -4.274 -8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.494 -7.386 -6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.817 -5.020 -8.831 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.148 -9.170 -6.261 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.476 -6.805 -8.958 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.153 -8.906 -7.688 1.00 0.00 H new ATOM 916 N VAL A 64 3.535 -1.481 -6.669 1.00 0.00 N ATOM 917 CA VAL A 64 2.975 -0.099 -7.083 1.00 0.00 C ATOM 918 C VAL A 64 3.450 0.294 -8.468 1.00 0.00 C ATOM 919 O VAL A 64 4.585 0.113 -8.759 1.00 0.00 O ATOM 920 CB VAL A 64 3.001 1.172 -6.039 1.00 0.00 C ATOM 921 CG1 VAL A 64 1.732 1.281 -5.236 1.00 0.00 C ATOM 922 CG2 VAL A 64 4.233 1.349 -5.117 1.00 0.00 C ATOM 0 H VAL A 64 4.555 -1.508 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 64 1.907 -0.314 -7.065 1.00 0.00 H new ATOM 0 HB VAL A 64 3.091 2.003 -6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.800 2.135 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.886 1.416 -5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.590 0.370 -4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.095 2.231 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.343 0.468 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.128 1.473 -5.726 1.00 0.00 H new ATOM 932 N ASN A 65 2.478 0.824 -9.361 1.00 0.00 N ATOM 933 CA ASN A 65 2.646 1.253 -10.900 1.00 0.00 C ATOM 934 C ASN A 65 2.730 0.003 -11.947 1.00 0.00 C ATOM 935 O ASN A 65 2.566 0.189 -13.192 1.00 0.00 O ATOM 936 CB ASN A 65 3.931 2.275 -11.209 1.00 0.00 C ATOM 937 CG ASN A 65 3.830 3.665 -10.618 1.00 0.00 C ATOM 938 OD1 ASN A 65 3.288 4.579 -11.233 1.00 0.00 O ATOM 939 ND2 ASN A 65 4.395 3.829 -9.435 1.00 0.00 N ATOM 0 H ASN A 65 1.521 0.978 -9.043 1.00 0.00 H new ATOM 0 HA ASN A 65 1.718 1.799 -11.071 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.841 1.807 -10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.044 2.368 -12.289 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.393 4.748 -8.992 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.833 3.037 -8.965 1.00 0.00 H new ATOM 946 N GLU A 66 2.874 -1.295 -11.346 1.00 0.00 N ATOM 947 CA GLU A 66 3.403 -2.671 -11.914 1.00 0.00 C ATOM 948 C GLU A 66 4.982 -2.905 -11.556 1.00 0.00 C ATOM 949 O GLU A 66 5.599 -3.958 -11.948 1.00 0.00 O ATOM 950 CB GLU A 66 2.995 -3.101 -13.453 1.00 0.00 C ATOM 951 CG GLU A 66 1.484 -3.432 -13.687 1.00 0.00 C ATOM 952 CD GLU A 66 1.142 -3.893 -15.125 1.00 0.00 C ATOM 953 OE1 GLU A 66 0.819 -3.026 -15.981 1.00 0.00 O ATOM 954 OE2 GLU A 66 1.167 -5.128 -15.385 1.00 0.00 O ATOM 0 H GLU A 66 2.600 -1.414 -10.371 1.00 0.00 H new ATOM 0 HA GLU A 66 2.807 -3.398 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.279 -2.290 -14.124 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.587 -3.971 -13.736 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.184 -4.213 -12.988 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.891 -2.548 -13.452 1.00 0.00 H new ATOM 961 N VAL A 67 5.586 -1.909 -10.665 1.00 0.00 N ATOM 962 CA VAL A 67 7.008 -1.887 -10.138 1.00 0.00 C ATOM 963 C VAL A 67 7.172 -2.553 -8.714 1.00 0.00 C ATOM 964 O VAL A 67 6.216 -2.489 -7.831 1.00 0.00 O ATOM 965 CB VAL A 67 7.869 -0.457 -10.288 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.136 -0.071 -11.704 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.443 0.786 -9.412 1.00 0.00 C ATOM 0 H VAL A 67 5.045 -1.115 -10.323 1.00 0.00 H new ATOM 0 HA VAL A 67 7.505 -2.536 -10.859 1.00 0.00 H new ATOM 0 HB VAL A 67 8.805 -0.755 -9.816 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.697 0.863 -11.727 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.716 -0.854 -12.191 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.190 0.060 -12.230 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.101 1.627 -9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.414 1.060 -9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.520 0.530 -8.355 1.00 0.00 H new ATOM 977 N ASP A 68 8.469 -3.062 -8.499 1.00 0.00 N ATOM 978 CA ASP A 68 8.934 -3.877 -7.353 1.00 0.00 C ATOM 979 C ASP A 68 9.351 -3.071 -6.063 1.00 0.00 C ATOM 980 O ASP A 68 10.453 -2.424 -6.010 1.00 0.00 O ATOM 981 CB ASP A 68 9.907 -5.134 -7.742 1.00 0.00 C ATOM 982 CG ASP A 68 11.241 -4.823 -8.523 1.00 0.00 C ATOM 983 OD1 ASP A 68 12.280 -4.590 -7.861 1.00 0.00 O ATOM 984 OD2 ASP A 68 11.216 -4.828 -9.776 1.00 0.00 O ATOM 0 H ASP A 68 9.220 -2.888 -9.167 1.00 0.00 H new ATOM 0 HA ASP A 68 8.018 -4.370 -7.028 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.173 -5.649 -6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.325 -5.834 -8.341 1.00 0.00 H new ATOM 989 N VAL A 69 8.370 -3.096 -5.076 1.00 0.00 N ATOM 990 CA VAL A 69 8.503 -2.487 -3.662 1.00 0.00 C ATOM 991 C VAL A 69 8.836 -3.540 -2.486 1.00 0.00 C ATOM 992 O VAL A 69 9.128 -3.133 -1.337 1.00 0.00 O ATOM 993 CB VAL A 69 7.398 -1.321 -3.252 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.527 -0.050 -4.057 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.896 -1.756 -3.082 1.00 0.00 C ATOM 0 H VAL A 69 7.463 -3.536 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 69 9.422 -1.909 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 69 7.707 -1.111 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.771 0.665 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.519 0.377 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.385 -0.273 -5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.294 -0.888 -2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.530 -2.176 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.821 -2.506 -2.295 1.00 0.00 H new ATOM 1005 N ARG A 70 8.885 -4.911 -2.874 1.00 0.00 N ATOM 1006 CA ARG A 70 9.199 -6.180 -1.986 1.00 0.00 C ATOM 1007 C ARG A 70 10.507 -6.115 -0.995 1.00 0.00 C ATOM 1008 O ARG A 70 10.518 -6.776 0.078 1.00 0.00 O ATOM 1009 CB ARG A 70 9.112 -7.561 -2.850 1.00 0.00 C ATOM 1010 CG ARG A 70 10.014 -7.747 -4.146 1.00 0.00 C ATOM 1011 CD ARG A 70 9.787 -9.110 -4.800 1.00 0.00 C ATOM 1012 NE ARG A 70 10.644 -9.303 -6.043 1.00 0.00 N ATOM 1013 CZ ARG A 70 10.774 -10.437 -6.893 1.00 0.00 C ATOM 1014 NH1 ARG A 70 10.105 -11.622 -6.709 1.00 0.00 N ATOM 1015 NH2 ARG A 70 11.596 -10.348 -7.931 1.00 0.00 N ATOM 0 H ARG A 70 8.702 -5.178 -3.841 1.00 0.00 H new ATOM 0 HA ARG A 70 8.387 -6.174 -1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.345 -8.382 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.074 -7.686 -3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.789 -6.957 -4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.065 -7.643 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.011 -9.898 -4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.735 -9.212 -5.067 1.00 0.00 H new ATOM 0 HE ARG A 70 11.211 -8.497 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.466 -11.730 -5.922 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.247 -12.394 -7.360 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.112 -9.485 -8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.712 -11.143 -8.560 1.00 0.00 H new ATOM 1029 N GLU A 71 11.569 -5.242 -1.429 1.00 0.00 N ATOM 1030 CA GLU A 71 12.883 -4.913 -0.764 1.00 0.00 C ATOM 1031 C GLU A 71 13.320 -3.435 -1.195 1.00 0.00 C ATOM 1032 O GLU A 71 14.094 -3.205 -2.210 1.00 0.00 O ATOM 1033 CB GLU A 71 14.043 -5.993 -1.031 1.00 0.00 C ATOM 1034 CG GLU A 71 14.093 -7.243 -0.085 1.00 0.00 C ATOM 1035 CD GLU A 71 15.234 -8.243 -0.396 1.00 0.00 C ATOM 1036 OE1 GLU A 71 16.345 -8.093 0.184 1.00 0.00 O ATOM 1037 OE2 GLU A 71 15.005 -9.195 -1.192 1.00 0.00 O ATOM 0 H GLU A 71 11.481 -4.740 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 71 12.730 -4.954 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.943 -6.350 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.003 -5.481 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.200 -6.899 0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.140 -7.768 -0.148 1.00 0.00 H new ATOM 1044 N VAL A 72 12.666 -2.411 -0.471 1.00 0.00 N ATOM 1045 CA VAL A 72 12.890 -0.882 -0.613 1.00 0.00 C ATOM 1046 C VAL A 72 12.793 -0.159 0.825 1.00 0.00 C ATOM 1047 O VAL A 72 12.165 -0.711 1.749 1.00 0.00 O ATOM 1048 CB VAL A 72 11.897 -0.080 -1.795 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.958 -0.625 -3.229 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.405 0.289 -1.397 1.00 0.00 C ATOM 0 H VAL A 72 11.962 -2.629 0.234 1.00 0.00 H new ATOM 0 HA VAL A 72 13.901 -0.783 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 72 12.433 0.869 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.296 -0.041 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.979 -0.553 -3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.642 -1.668 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.916 0.783 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.860 -0.621 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.413 0.958 -0.537 1.00 0.00 H new ATOM 1060 N THR A 73 13.349 1.142 0.906 1.00 0.00 N ATOM 1061 CA THR A 73 13.151 2.174 2.073 1.00 0.00 C ATOM 1062 C THR A 73 11.707 2.900 2.009 1.00 0.00 C ATOM 1063 O THR A 73 11.017 2.813 0.952 1.00 0.00 O ATOM 1064 CB THR A 73 14.324 3.294 2.149 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.769 3.772 0.864 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.495 2.875 3.005 1.00 0.00 C ATOM 0 H THR A 73 13.948 1.510 0.167 1.00 0.00 H new ATOM 0 HA THR A 73 13.206 1.578 2.984 1.00 0.00 H new ATOM 0 HB THR A 73 13.843 4.139 2.642 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.472 4.443 0.990 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.242 3.668 3.013 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.153 2.688 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.936 1.965 2.598 1.00 0.00 H new ATOM 1074 N HIS A 74 11.256 3.602 3.185 1.00 0.00 N ATOM 1075 CA HIS A 74 9.915 4.457 3.323 1.00 0.00 C ATOM 1076 C HIS A 74 9.707 5.565 2.154 1.00 0.00 C ATOM 1077 O HIS A 74 8.733 5.460 1.327 1.00 0.00 O ATOM 1078 CB HIS A 74 9.690 5.047 4.845 1.00 0.00 C ATOM 1079 CG HIS A 74 10.656 6.172 5.439 1.00 0.00 C ATOM 1080 ND1 HIS A 74 10.220 7.463 5.725 1.00 0.00 N ATOM 1081 CD2 HIS A 74 11.974 6.151 5.814 1.00 0.00 C ATOM 1082 CE1 HIS A 74 11.222 8.178 6.245 1.00 0.00 C ATOM 1083 NE2 HIS A 74 12.290 7.404 6.306 1.00 0.00 N ATOM 0 H HIS A 74 11.797 3.595 4.050 1.00 0.00 H new ATOM 0 HA HIS A 74 9.105 3.747 3.158 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.675 5.442 4.888 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.731 4.198 5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.645 5.308 5.739 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.168 9.209 6.560 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.204 7.686 6.660 1.00 0.00 H new ATOM 1092 N SER A 75 10.819 6.475 1.992 1.00 0.00 N ATOM 1093 CA SER A 75 10.956 7.607 0.920 1.00 0.00 C ATOM 1094 C SER A 75 10.916 7.064 -0.596 1.00 0.00 C ATOM 1095 O SER A 75 10.199 7.644 -1.434 1.00 0.00 O ATOM 1096 CB SER A 75 12.219 8.511 1.185 1.00 0.00 C ATOM 1097 OG SER A 75 12.120 9.221 2.417 1.00 0.00 O ATOM 0 H SER A 75 11.633 6.431 2.606 1.00 0.00 H new ATOM 0 HA SER A 75 10.070 8.232 1.033 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.114 7.889 1.196 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.335 9.221 0.366 1.00 0.00 H new ATOM 0 HG SER A 75 12.923 9.768 2.545 1.00 0.00 H new ATOM 1103 N ALA A 76 11.568 5.782 -0.819 1.00 0.00 N ATOM 1104 CA ALA A 76 11.609 4.937 -2.101 1.00 0.00 C ATOM 1105 C ALA A 76 10.185 4.269 -2.506 1.00 0.00 C ATOM 1106 O ALA A 76 9.950 3.973 -3.723 1.00 0.00 O ATOM 1107 CB ALA A 76 12.698 3.858 -1.938 1.00 0.00 C ATOM 0 H ALA A 76 12.084 5.329 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 76 11.845 5.608 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.742 3.247 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.664 4.337 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.459 3.226 -1.083 1.00 0.00 H new ATOM 1113 N ALA A 77 9.217 4.098 -1.422 1.00 0.00 N ATOM 1114 CA ALA A 77 7.785 3.589 -1.552 1.00 0.00 C ATOM 1115 C ALA A 77 6.730 4.767 -1.797 1.00 0.00 C ATOM 1116 O ALA A 77 5.763 4.572 -2.572 1.00 0.00 O ATOM 1117 CB ALA A 77 7.415 2.729 -0.321 1.00 0.00 C ATOM 0 H ALA A 77 9.457 4.323 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 77 7.736 2.961 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.391 2.370 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.093 1.878 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.500 3.332 0.583 1.00 0.00 H new ATOM 1123 N VAL A 78 7.008 6.038 -1.150 1.00 0.00 N ATOM 1124 CA VAL A 78 6.182 7.391 -1.277 1.00 0.00 C ATOM 1125 C VAL A 78 6.418 8.094 -2.734 1.00 0.00 C ATOM 1126 O VAL A 78 5.432 8.535 -3.374 1.00 0.00 O ATOM 1127 CB VAL A 78 6.465 8.426 0.046 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.732 9.810 0.034 1.00 0.00 C ATOM 1129 CG2 VAL A 78 6.025 7.783 1.342 1.00 0.00 C ATOM 0 H VAL A 78 7.810 6.145 -0.529 1.00 0.00 H new ATOM 0 HA VAL A 78 5.119 7.152 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 78 7.538 8.599 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.998 10.370 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.033 10.374 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.654 9.651 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.217 8.465 2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.959 7.561 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.582 6.859 1.497 1.00 0.00 H new ATOM 1139 N GLU A 79 7.763 8.089 -3.227 1.00 0.00 N ATOM 1140 CA GLU A 79 8.311 8.630 -4.586 1.00 0.00 C ATOM 1141 C GLU A 79 7.657 8.001 -5.851 1.00 0.00 C ATOM 1142 O GLU A 79 7.468 8.706 -6.792 1.00 0.00 O ATOM 1143 CB GLU A 79 9.882 8.586 -4.686 1.00 0.00 C ATOM 1144 CG GLU A 79 10.605 9.718 -3.907 1.00 0.00 C ATOM 1145 CD GLU A 79 12.148 9.735 -4.041 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.668 10.409 -4.973 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.835 9.100 -3.195 1.00 0.00 O ATOM 0 H GLU A 79 8.515 7.692 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 79 8.006 9.676 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.231 7.624 -4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.169 8.643 -5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.217 10.677 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.350 9.630 -2.851 1.00 0.00 H new ATOM 1154 N ALA A 80 7.191 6.634 -5.736 1.00 0.00 N ATOM 1155 CA ALA A 80 6.356 5.847 -6.750 1.00 0.00 C ATOM 1156 C ALA A 80 4.832 6.402 -6.890 1.00 0.00 C ATOM 1157 O ALA A 80 4.253 6.374 -8.005 1.00 0.00 O ATOM 1158 CB ALA A 80 6.401 4.347 -6.369 1.00 0.00 C ATOM 0 H ALA A 80 7.408 6.074 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 80 6.791 5.984 -7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.810 3.772 -7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.433 3.998 -6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.991 4.213 -5.368 1.00 0.00 H new ATOM 1164 N LEU A 81 4.273 7.023 -5.712 1.00 0.00 N ATOM 1165 CA LEU A 81 2.871 7.641 -5.557 1.00 0.00 C ATOM 1166 C LEU A 81 2.812 9.189 -5.873 1.00 0.00 C ATOM 1167 O LEU A 81 1.759 9.697 -6.342 1.00 0.00 O ATOM 1168 CB LEU A 81 2.227 7.269 -4.129 1.00 0.00 C ATOM 1169 CG LEU A 81 2.025 5.748 -3.826 1.00 0.00 C ATOM 1170 CD1 LEU A 81 2.482 5.415 -2.448 1.00 0.00 C ATOM 1171 CD2 LEU A 81 0.604 5.238 -4.115 1.00 0.00 C ATOM 0 H LEU A 81 4.813 7.094 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 81 2.249 7.185 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.861 7.690 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.258 7.763 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 81 2.658 5.208 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.331 4.352 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.541 5.654 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.909 5.995 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.544 4.175 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.111 5.786 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.370 5.390 -5.169 1.00 0.00 H new ATOM 1183 N LYS A 82 4.011 9.910 -5.608 1.00 0.00 N ATOM 1184 CA LYS A 82 4.305 11.377 -5.920 1.00 0.00 C ATOM 1185 C LYS A 82 4.839 11.634 -7.421 1.00 0.00 C ATOM 1186 O LYS A 82 4.583 12.743 -7.984 1.00 0.00 O ATOM 1187 CB LYS A 82 5.276 12.015 -4.838 1.00 0.00 C ATOM 1188 CG LYS A 82 4.620 12.357 -3.444 1.00 0.00 C ATOM 1189 CD LYS A 82 5.614 13.033 -2.494 1.00 0.00 C ATOM 1190 CE LYS A 82 4.932 13.523 -1.212 1.00 0.00 C ATOM 1191 NZ LYS A 82 5.897 14.177 -0.286 1.00 0.00 N ATOM 0 H LYS A 82 4.806 9.456 -5.160 1.00 0.00 H new ATOM 0 HA LYS A 82 3.344 11.888 -5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.104 11.327 -4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.701 12.929 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.762 13.012 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.245 11.442 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.407 12.331 -2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.085 13.876 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.140 14.227 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.459 12.681 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.397 14.494 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.639 13.498 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.330 14.996 -0.758 1.00 0.00 H new ATOM 1205 N GLU A 83 5.568 10.546 -8.068 1.00 0.00 N ATOM 1206 CA GLU A 83 6.127 10.597 -9.548 1.00 0.00 C ATOM 1207 C GLU A 83 5.133 10.481 -10.765 1.00 0.00 C ATOM 1208 O GLU A 83 5.264 11.289 -11.740 1.00 0.00 O ATOM 1209 CB GLU A 83 7.456 9.782 -9.778 1.00 0.00 C ATOM 1210 CG GLU A 83 7.455 8.171 -9.926 1.00 0.00 C ATOM 1211 CD GLU A 83 8.850 7.543 -10.133 1.00 0.00 C ATOM 1212 OE1 GLU A 83 9.509 7.191 -9.120 1.00 0.00 O ATOM 1213 OE2 GLU A 83 9.267 7.378 -11.310 1.00 0.00 O ATOM 0 H GLU A 83 5.768 9.664 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 83 6.367 11.660 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.918 10.181 -10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.120 10.022 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.005 7.738 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.819 7.897 -10.768 1.00 0.00 H new ATOM 1220 N ALA A 84 4.103 9.464 -10.674 1.00 0.00 N ATOM 1221 CA ALA A 84 3.122 9.040 -11.802 1.00 0.00 C ATOM 1222 C ALA A 84 2.241 10.224 -12.488 1.00 0.00 C ATOM 1223 O ALA A 84 1.761 10.089 -13.663 1.00 0.00 O ATOM 1224 CB ALA A 84 2.290 7.866 -11.313 1.00 0.00 C ATOM 0 H ALA A 84 3.952 8.935 -9.815 1.00 0.00 H new ATOM 0 HA ALA A 84 3.739 8.733 -12.646 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.597 7.559 -12.097 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.947 7.033 -11.064 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.728 8.162 -10.427 1.00 0.00 H new ATOM 1230 N GLY A 85 2.112 11.382 -11.677 1.00 0.00 N ATOM 1231 CA GLY A 85 1.608 12.727 -12.082 1.00 0.00 C ATOM 1232 C GLY A 85 0.141 13.076 -11.938 1.00 0.00 C ATOM 1233 O GLY A 85 -0.172 14.251 -11.612 1.00 0.00 O ATOM 0 H GLY A 85 2.377 11.362 -10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.171 13.466 -11.512 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.870 12.866 -13.131 1.00 0.00 H new ATOM 1237 N SER A 86 -0.784 12.020 -12.160 1.00 0.00 N ATOM 1238 CA SER A 86 -2.317 12.145 -12.294 1.00 0.00 C ATOM 1239 C SER A 86 -3.085 10.776 -12.087 1.00 0.00 C ATOM 1240 O SER A 86 -4.232 10.786 -11.592 1.00 0.00 O ATOM 1241 CB SER A 86 -2.700 12.840 -13.703 1.00 0.00 C ATOM 1242 OG SER A 86 -2.399 12.047 -14.879 1.00 0.00 O ATOM 0 H SER A 86 -0.472 11.053 -12.250 1.00 0.00 H new ATOM 0 HA SER A 86 -2.654 12.787 -11.480 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.766 13.069 -13.700 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.170 13.790 -13.778 1.00 0.00 H new ATOM 0 HG SER A 86 -2.663 12.541 -15.683 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.402 9.601 -12.519 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.956 8.175 -12.532 1.00 0.00 C ATOM 1250 C ILE A 87 -1.910 7.211 -11.837 1.00 0.00 C ATOM 1251 O ILE A 87 -0.813 6.913 -12.408 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.494 7.669 -14.109 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.607 8.673 -14.827 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.918 6.128 -14.283 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -6.025 8.955 -14.157 1.00 0.00 C ATOM 0 H ILE A 87 -1.444 9.642 -12.867 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.873 8.133 -11.944 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.557 7.765 -14.657 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -4.122 9.640 -14.962 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.800 8.272 -15.822 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.231 5.951 -15.312 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.068 5.488 -14.047 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.743 5.899 -13.608 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.597 9.636 -14.788 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.569 8.017 -14.049 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.880 9.406 -13.175 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.330 6.753 -10.588 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.570 5.795 -9.671 1.00 0.00 C ATOM 1269 C VAL A 88 -2.324 4.386 -9.496 1.00 0.00 C ATOM 1270 O VAL A 88 -3.487 4.341 -8.998 1.00 0.00 O ATOM 1271 CB VAL A 88 -1.118 6.529 -8.284 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.279 7.072 -8.243 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -2.029 6.875 -7.071 1.00 0.00 C ATOM 0 H VAL A 88 -3.221 7.045 -10.185 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.633 5.524 -10.158 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.598 5.595 -7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.461 7.535 -7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.990 6.260 -8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.403 7.817 -9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.435 7.362 -6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.825 7.546 -7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.466 5.960 -6.671 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.598 3.274 -9.939 1.00 0.00 N ATOM 1284 CA ARG A 89 -2.109 1.802 -9.965 1.00 0.00 C ATOM 1285 C ARG A 89 -1.401 0.808 -8.934 1.00 0.00 C ATOM 1286 O ARG A 89 -0.300 0.277 -9.195 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.365 1.182 -11.479 1.00 0.00 C ATOM 1288 CG ARG A 89 -1.231 1.196 -12.534 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.771 0.572 -13.785 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.764 0.542 -14.927 1.00 0.00 N ATOM 1291 CZ ARG A 89 -0.899 0.021 -16.245 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -2.029 -0.598 -16.720 1.00 0.00 N ATOM 1293 NH2 ARG A 89 0.135 0.132 -17.069 1.00 0.00 N ATOM 0 H ARG A 89 -0.644 3.360 -10.289 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.115 1.887 -9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.676 0.145 -11.354 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.211 1.719 -11.908 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.900 2.216 -12.727 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.364 0.642 -12.173 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.091 -0.447 -13.566 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.656 1.123 -14.105 1.00 0.00 H new ATOM 0 HE ARG A 89 0.143 0.958 -14.716 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.843 -0.708 -16.115 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.055 -0.948 -17.678 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.994 0.580 -16.751 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.071 -0.231 -18.020 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.137 0.566 -7.760 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.742 -0.296 -6.559 1.00 0.00 C ATOM 1309 C LEU A 90 -2.258 -1.797 -6.645 1.00 0.00 C ATOM 1310 O LEU A 90 -3.424 -2.059 -7.080 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.143 0.453 -5.105 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.632 0.870 -4.615 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.469 1.773 -5.475 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -4.378 -0.262 -3.989 1.00 0.00 C ATOM 0 H LEU A 90 -3.057 0.987 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.656 -0.380 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.749 -0.197 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.559 1.373 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.392 1.585 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.431 1.945 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.956 2.725 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.628 1.305 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.367 0.079 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.482 -1.072 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.831 -0.620 -3.117 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.322 -2.755 -6.206 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.519 -4.247 -6.145 1.00 0.00 C ATOM 1328 C TYR A 91 -1.360 -4.768 -4.677 1.00 0.00 C ATOM 1329 O TYR A 91 -0.188 -4.766 -4.081 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.558 -5.026 -7.217 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.896 -6.535 -7.614 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.165 -6.938 -8.090 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.068 -7.508 -7.475 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.438 -8.225 -8.397 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.187 -8.820 -7.792 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.445 -9.185 -8.253 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.700 -10.497 -8.584 1.00 0.00 O ATOM 0 H TYR A 91 -0.395 -2.480 -5.882 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.541 -4.474 -6.447 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.549 -4.439 -8.136 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.457 -5.011 -6.819 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.939 -6.195 -8.212 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.046 -7.234 -7.109 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.419 -8.505 -8.751 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.588 -9.565 -7.683 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.898 -11.037 -8.424 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.579 -5.243 -4.151 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.834 -5.742 -2.697 1.00 0.00 C ATOM 1349 C VAL A 92 -3.017 -7.377 -2.533 1.00 0.00 C ATOM 1350 O VAL A 92 -3.437 -8.084 -3.509 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.050 -4.878 -1.905 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.757 -3.369 -1.756 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.481 -5.102 -2.485 1.00 0.00 C ATOM 0 H VAL A 92 -3.421 -5.292 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.898 -5.521 -2.185 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.040 -5.311 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.586 -2.887 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.841 -3.231 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.638 -2.922 -2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.200 -4.510 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.502 -4.795 -3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.742 -6.158 -2.412 1.00 0.00 H new ATOM 1363 N MET A 93 -2.772 -7.859 -1.217 1.00 0.00 N ATOM 1364 CA MET A 93 -2.749 -9.342 -0.728 1.00 0.00 C ATOM 1365 C MET A 93 -3.738 -9.658 0.492 1.00 0.00 C ATOM 1366 O MET A 93 -3.583 -9.107 1.627 1.00 0.00 O ATOM 1367 CB MET A 93 -1.221 -9.957 -0.521 1.00 0.00 C ATOM 1368 CG MET A 93 -0.206 -9.240 0.467 1.00 0.00 C ATOM 1369 SD MET A 93 1.396 -10.066 0.537 1.00 0.00 S ATOM 1370 CE MET A 93 2.263 -9.024 1.710 1.00 0.00 C ATOM 0 H MET A 93 -2.581 -7.212 -0.452 1.00 0.00 H new ATOM 0 HA MET A 93 -3.170 -9.900 -1.565 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.329 -10.988 -0.184 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.749 -9.991 -1.503 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.064 -8.207 0.149 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.639 -9.209 1.467 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.273 -9.406 1.859 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.314 -8.006 1.324 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.730 -9.025 2.661 1.00 0.00 H new ATOM 1380 N ARG A 94 -4.747 -10.581 0.183 1.00 0.00 N ATOM 1381 CA ARG A 94 -5.817 -11.160 1.098 1.00 0.00 C ATOM 1382 C ARG A 94 -5.654 -12.739 1.216 1.00 0.00 C ATOM 1383 O ARG A 94 -5.065 -13.407 0.305 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.334 -10.760 0.586 1.00 0.00 C ATOM 1385 CG ARG A 94 -7.898 -9.313 0.882 1.00 0.00 C ATOM 1386 CD ARG A 94 -8.552 -9.169 2.296 1.00 0.00 C ATOM 1387 NE ARG A 94 -9.206 -7.816 2.504 1.00 0.00 N ATOM 1388 CZ ARG A 94 -10.016 -7.357 3.580 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -10.317 -8.099 4.697 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -10.507 -6.132 3.508 1.00 0.00 N ATOM 0 H ARG A 94 -4.832 -10.954 -0.762 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.682 -10.724 2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.364 -10.908 -0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.027 -11.477 1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.086 -8.591 0.792 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.637 -9.058 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.298 -9.953 2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.791 -9.321 3.061 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.041 -7.135 1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.952 -9.046 4.794 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.906 -7.702 5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.301 -5.547 2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.092 -5.772 4.262 1.00 0.00 H new ATOM 1604 N SER B 8 2.621 9.602 5.623 1.00 0.00 N ATOM 1605 CA SER B 8 2.806 9.100 4.168 1.00 0.00 C ATOM 1606 C SER B 8 1.462 9.181 3.229 1.00 0.00 C ATOM 1607 O SER B 8 0.431 9.764 3.673 1.00 0.00 O ATOM 1608 CB SER B 8 3.433 7.641 4.224 1.00 0.00 C ATOM 1609 OG SER B 8 4.719 7.616 4.849 1.00 0.00 O ATOM 0 HA SER B 8 3.488 9.784 3.664 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.757 6.980 4.767 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.518 7.248 3.211 1.00 0.00 H new ATOM 0 HG SER B 8 4.780 8.344 5.502 1.00 0.00 H new ATOM 1615 N VAL B 9 1.536 8.608 1.903 1.00 0.00 N ATOM 1616 CA VAL B 9 0.418 8.639 0.836 1.00 0.00 C ATOM 1617 C VAL B 9 -0.176 7.136 0.691 1.00 0.00 C ATOM 1618 O VAL B 9 0.211 6.380 -0.224 1.00 0.00 O ATOM 1619 CB VAL B 9 0.927 9.347 -0.670 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.238 9.785 -1.569 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.866 10.589 -0.540 1.00 0.00 C ATOM 1622 OXT VAL B 9 -0.987 6.779 1.527 1.00 0.00 O ATOM 0 H VAL B 9 2.372 8.124 1.574 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.382 9.304 1.162 1.00 0.00 H new ATOM 0 HB VAL B 9 1.480 8.520 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.155 10.217 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -0.857 8.921 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.840 10.529 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL B 9 2.125 10.955 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.354 11.376 0.014 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.775 10.304 -0.010 1.00 0.00 H new