USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 321 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 369 SER OG : rot 180:sc= 0 USER MOD Single : A 374 ASN : amide:sc= -2.34 K(o=-2.3,f=-6.3!) USER MOD Single : A 396 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ -166:sc=-0.00923 (180deg=-0.231) USER MOD Single : A 402 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 403 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.00017) USER MOD Single : A 404 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 409 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 369 13.227 15.692 -15.508 1.00 0.00 N ATOM 2 CA SER A 369 11.861 16.007 -14.999 1.00 0.00 C ATOM 3 C SER A 369 10.832 15.197 -15.779 1.00 0.00 C ATOM 4 O SER A 369 9.629 15.440 -15.684 1.00 0.00 O ATOM 5 CB SER A 369 11.587 17.500 -15.176 1.00 0.00 C ATOM 6 OG SER A 369 11.360 17.776 -16.552 1.00 0.00 O ATOM 0 HA SER A 369 11.794 15.751 -13.942 1.00 0.00 H new ATOM 0 HB2 SER A 369 10.719 17.795 -14.586 1.00 0.00 H new ATOM 0 HB3 SER A 369 12.433 18.083 -14.811 1.00 0.00 H new ATOM 0 HG SER A 369 11.182 18.733 -16.669 1.00 0.00 H new ATOM 14 N ALA A 370 11.316 14.233 -16.551 1.00 0.00 N ATOM 15 CA ALA A 370 10.431 13.386 -17.350 1.00 0.00 C ATOM 16 C ALA A 370 9.579 12.500 -16.446 1.00 0.00 C ATOM 17 O ALA A 370 10.037 12.049 -15.398 1.00 0.00 O ATOM 18 CB ALA A 370 11.247 12.506 -18.302 1.00 0.00 C ATOM 0 H ALA A 370 12.309 14.017 -16.643 1.00 0.00 H new ATOM 0 HA ALA A 370 9.778 14.035 -17.933 1.00 0.00 H new ATOM 0 HB1 ALA A 370 10.573 11.882 -18.889 1.00 0.00 H new ATOM 0 HB2 ALA A 370 11.831 13.138 -18.971 1.00 0.00 H new ATOM 0 HB3 ALA A 370 11.919 11.871 -17.725 1.00 0.00 H new ATOM 24 N ASP A 371 8.337 12.256 -16.859 1.00 0.00 N ATOM 25 CA ASP A 371 7.424 11.421 -16.078 1.00 0.00 C ATOM 26 C ASP A 371 6.528 10.602 -16.999 1.00 0.00 C ATOM 27 O ASP A 371 5.997 11.120 -17.983 1.00 0.00 O ATOM 28 CB ASP A 371 6.559 12.300 -15.174 1.00 0.00 C ATOM 29 CG ASP A 371 5.676 11.425 -14.292 1.00 0.00 C ATOM 30 OD1 ASP A 371 5.705 10.218 -14.472 1.00 0.00 O ATOM 31 OD2 ASP A 371 4.982 11.973 -13.453 1.00 0.00 O ATOM 0 H ASP A 371 7.940 12.622 -17.725 1.00 0.00 H new ATOM 0 HA ASP A 371 8.017 10.741 -15.466 1.00 0.00 H new ATOM 0 HB2 ASP A 371 7.193 12.934 -14.554 1.00 0.00 H new ATOM 0 HB3 ASP A 371 5.941 12.962 -15.780 1.00 0.00 H new ATOM 36 N ASP A 372 6.363 9.323 -16.675 1.00 0.00 N ATOM 37 CA ASP A 372 5.527 8.444 -17.481 1.00 0.00 C ATOM 38 C ASP A 372 5.983 8.460 -18.937 1.00 0.00 C ATOM 39 O ASP A 372 5.163 8.508 -19.854 1.00 0.00 O ATOM 40 CB ASP A 372 4.065 8.886 -17.395 1.00 0.00 C ATOM 41 CG ASP A 372 3.501 8.563 -16.015 1.00 0.00 C ATOM 42 OD1 ASP A 372 4.137 7.808 -15.297 1.00 0.00 O ATOM 43 OD2 ASP A 372 2.439 9.073 -15.697 1.00 0.00 O ATOM 0 H ASP A 372 6.794 8.876 -15.866 1.00 0.00 H new ATOM 0 HA ASP A 372 5.620 7.429 -17.094 1.00 0.00 H new ATOM 0 HB2 ASP A 372 3.989 9.956 -17.586 1.00 0.00 H new ATOM 0 HB3 ASP A 372 3.479 8.382 -18.163 1.00 0.00 H new ATOM 48 N ASP A 373 7.295 8.421 -19.140 1.00 0.00 N ATOM 49 CA ASP A 373 7.850 8.437 -20.489 1.00 0.00 C ATOM 50 C ASP A 373 7.369 7.224 -21.277 1.00 0.00 C ATOM 51 O ASP A 373 7.072 7.327 -22.466 1.00 0.00 O ATOM 52 CB ASP A 373 9.379 8.435 -20.424 1.00 0.00 C ATOM 53 CG ASP A 373 9.959 8.481 -21.834 1.00 0.00 C ATOM 54 OD1 ASP A 373 9.189 8.385 -22.774 1.00 0.00 O ATOM 55 OD2 ASP A 373 11.167 8.609 -21.952 1.00 0.00 O ATOM 0 H ASP A 373 7.990 8.378 -18.394 1.00 0.00 H new ATOM 0 HA ASP A 373 7.511 9.342 -20.993 1.00 0.00 H new ATOM 0 HB2 ASP A 373 9.728 9.293 -19.850 1.00 0.00 H new ATOM 0 HB3 ASP A 373 9.728 7.541 -19.907 1.00 0.00 H new ATOM 60 N ASN A 374 7.295 6.077 -20.608 1.00 0.00 N ATOM 61 CA ASN A 374 6.845 4.849 -21.260 1.00 0.00 C ATOM 62 C ASN A 374 6.192 3.917 -20.246 1.00 0.00 C ATOM 63 O ASN A 374 6.376 4.070 -19.040 1.00 0.00 O ATOM 64 CB ASN A 374 8.033 4.141 -21.913 1.00 0.00 C ATOM 65 CG ASN A 374 9.133 3.909 -20.882 1.00 0.00 C ATOM 66 OD1 ASN A 374 8.913 4.093 -19.685 1.00 0.00 O ATOM 67 ND2 ASN A 374 10.312 3.511 -21.277 1.00 0.00 N ATOM 0 H ASN A 374 7.538 5.971 -19.623 1.00 0.00 H new ATOM 0 HA ASN A 374 6.113 5.110 -22.024 1.00 0.00 H new ATOM 0 HB2 ASN A 374 7.712 3.189 -22.335 1.00 0.00 H new ATOM 0 HB3 ASN A 374 8.417 4.742 -22.737 1.00 0.00 H new ATOM 0 HD21 ASN A 374 11.052 3.352 -20.593 1.00 0.00 H new ATOM 0 HD22 ASN A 374 10.493 3.359 -22.269 1.00 0.00 H new ATOM 74 N PHE A 375 5.432 2.950 -20.748 1.00 0.00 N ATOM 75 CA PHE A 375 4.758 1.994 -19.879 1.00 0.00 C ATOM 76 C PHE A 375 5.772 1.103 -19.170 1.00 0.00 C ATOM 77 O PHE A 375 5.603 0.768 -17.999 1.00 0.00 O ATOM 78 CB PHE A 375 3.797 1.127 -20.694 1.00 0.00 C ATOM 79 CG PHE A 375 2.634 1.968 -21.160 1.00 0.00 C ATOM 80 CD1 PHE A 375 1.534 2.171 -20.317 1.00 0.00 C ATOM 81 CD2 PHE A 375 2.655 2.549 -22.434 1.00 0.00 C ATOM 82 CE1 PHE A 375 0.455 2.952 -20.748 1.00 0.00 C ATOM 83 CE2 PHE A 375 1.577 3.331 -22.865 1.00 0.00 C ATOM 84 CZ PHE A 375 0.477 3.532 -22.023 1.00 0.00 C ATOM 0 H PHE A 375 5.268 2.808 -21.745 1.00 0.00 H new ATOM 0 HA PHE A 375 4.195 2.552 -19.131 1.00 0.00 H new ATOM 0 HB2 PHE A 375 4.316 0.697 -21.551 1.00 0.00 H new ATOM 0 HB3 PHE A 375 3.438 0.295 -20.088 1.00 0.00 H new ATOM 0 HD1 PHE A 375 1.518 1.725 -19.334 1.00 0.00 H new ATOM 0 HD2 PHE A 375 3.503 2.394 -23.084 1.00 0.00 H new ATOM 0 HE1 PHE A 375 -0.394 3.107 -20.098 1.00 0.00 H new ATOM 0 HE2 PHE A 375 1.594 3.779 -23.847 1.00 0.00 H new ATOM 0 HZ PHE A 375 -0.355 4.134 -22.356 1.00 0.00 H new ATOM 94 N LEU A 376 6.822 0.723 -19.890 1.00 0.00 N ATOM 95 CA LEU A 376 7.856 -0.130 -19.318 1.00 0.00 C ATOM 96 C LEU A 376 8.776 0.695 -18.440 1.00 0.00 C ATOM 97 O LEU A 376 9.066 1.842 -18.762 1.00 0.00 O ATOM 98 CB LEU A 376 8.676 -0.789 -20.433 1.00 0.00 C ATOM 99 CG LEU A 376 7.877 -1.942 -21.038 1.00 0.00 C ATOM 100 CD1 LEU A 376 6.570 -1.405 -21.634 1.00 0.00 C ATOM 101 CD2 LEU A 376 8.707 -2.615 -22.137 1.00 0.00 C ATOM 0 H LEU A 376 6.979 0.989 -20.862 1.00 0.00 H new ATOM 0 HA LEU A 376 7.377 -0.905 -18.719 1.00 0.00 H new ATOM 0 HB2 LEU A 376 8.918 -0.056 -21.203 1.00 0.00 H new ATOM 0 HB3 LEU A 376 9.622 -1.157 -20.035 1.00 0.00 H new ATOM 0 HG LEU A 376 7.645 -2.671 -20.261 1.00 0.00 H new ATOM 0 HD11 LEU A 376 6.001 -2.229 -22.065 1.00 0.00 H new ATOM 0 HD12 LEU A 376 5.981 -0.929 -20.850 1.00 0.00 H new ATOM 0 HD13 LEU A 376 6.797 -0.675 -22.411 1.00 0.00 H new ATOM 0 HD21 LEU A 376 8.138 -3.438 -22.570 1.00 0.00 H new ATOM 0 HD22 LEU A 376 8.940 -1.887 -22.914 1.00 0.00 H new ATOM 0 HD23 LEU A 376 9.633 -2.999 -21.710 1.00 0.00 H new ATOM 113 N VAL A 377 9.228 0.097 -17.336 1.00 0.00 N ATOM 114 CA VAL A 377 10.127 0.779 -16.402 1.00 0.00 C ATOM 115 C VAL A 377 9.831 2.283 -16.351 1.00 0.00 C ATOM 116 O VAL A 377 10.679 3.115 -16.668 1.00 0.00 O ATOM 117 CB VAL A 377 11.587 0.541 -16.811 1.00 0.00 C ATOM 118 CG1 VAL A 377 11.784 0.905 -18.293 1.00 0.00 C ATOM 119 CG2 VAL A 377 12.533 1.386 -15.913 1.00 0.00 C ATOM 0 H VAL A 377 8.987 -0.857 -17.067 1.00 0.00 H new ATOM 0 HA VAL A 377 9.962 0.367 -15.406 1.00 0.00 H new ATOM 0 HB VAL A 377 11.829 -0.513 -16.677 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.823 0.733 -18.575 1.00 0.00 H new ATOM 0 HG12 VAL A 377 11.133 0.285 -18.910 1.00 0.00 H new ATOM 0 HG13 VAL A 377 11.536 1.955 -18.446 1.00 0.00 H new ATOM 0 HG21 VAL A 377 13.567 1.212 -16.209 1.00 0.00 H new ATOM 0 HG22 VAL A 377 12.296 2.444 -16.028 1.00 0.00 H new ATOM 0 HG23 VAL A 377 12.400 1.096 -14.871 1.00 0.00 H new ATOM 129 N PRO A 378 8.642 2.644 -15.970 1.00 0.00 N ATOM 130 CA PRO A 378 8.232 4.073 -15.904 1.00 0.00 C ATOM 131 C PRO A 378 8.899 4.808 -14.747 1.00 0.00 C ATOM 132 O PRO A 378 9.154 4.224 -13.698 1.00 0.00 O ATOM 133 CB PRO A 378 6.710 4.000 -15.733 1.00 0.00 C ATOM 134 CG PRO A 378 6.453 2.674 -15.078 1.00 0.00 C ATOM 135 CD PRO A 378 7.571 1.734 -15.544 1.00 0.00 C ATOM 0 HA PRO A 378 8.531 4.636 -16.788 1.00 0.00 H new ATOM 0 HB2 PRO A 378 6.343 4.821 -15.118 1.00 0.00 H new ATOM 0 HB3 PRO A 378 6.201 4.070 -16.695 1.00 0.00 H new ATOM 0 HG2 PRO A 378 6.455 2.771 -13.992 1.00 0.00 H new ATOM 0 HG3 PRO A 378 5.475 2.284 -15.361 1.00 0.00 H new ATOM 0 HD2 PRO A 378 7.901 1.077 -14.740 1.00 0.00 H new ATOM 0 HD3 PRO A 378 7.240 1.095 -16.363 1.00 0.00 H new ATOM 143 N ILE A 379 9.174 6.093 -14.950 1.00 0.00 N ATOM 144 CA ILE A 379 9.806 6.901 -13.913 1.00 0.00 C ATOM 145 C ILE A 379 8.884 7.019 -12.702 1.00 0.00 C ATOM 146 O ILE A 379 9.326 6.900 -11.558 1.00 0.00 O ATOM 147 CB ILE A 379 10.120 8.295 -14.458 1.00 0.00 C ATOM 148 CG1 ILE A 379 11.209 8.185 -15.526 1.00 0.00 C ATOM 149 CG2 ILE A 379 10.618 9.191 -13.319 1.00 0.00 C ATOM 150 CD1 ILE A 379 11.329 9.516 -16.270 1.00 0.00 C ATOM 0 H ILE A 379 8.971 6.593 -15.815 1.00 0.00 H new ATOM 0 HA ILE A 379 10.733 6.416 -13.608 1.00 0.00 H new ATOM 0 HB ILE A 379 9.219 8.727 -14.893 1.00 0.00 H new ATOM 0 HG12 ILE A 379 12.162 7.927 -15.064 1.00 0.00 H new ATOM 0 HG13 ILE A 379 10.967 7.385 -16.226 1.00 0.00 H new ATOM 0 HG21 ILE A 379 10.842 10.184 -13.709 1.00 0.00 H new ATOM 0 HG22 ILE A 379 9.847 9.267 -12.552 1.00 0.00 H new ATOM 0 HG23 ILE A 379 11.520 8.760 -12.885 1.00 0.00 H new ATOM 0 HD11 ILE A 379 12.105 9.439 -17.031 1.00 0.00 H new ATOM 0 HD12 ILE A 379 10.377 9.755 -16.745 1.00 0.00 H new ATOM 0 HD13 ILE A 379 11.590 10.305 -15.565 1.00 0.00 H new ATOM 162 N ALA A 380 7.603 7.257 -12.965 1.00 0.00 N ATOM 163 CA ALA A 380 6.621 7.390 -11.896 1.00 0.00 C ATOM 164 C ALA A 380 6.835 6.312 -10.835 1.00 0.00 C ATOM 165 O ALA A 380 6.367 6.446 -9.702 1.00 0.00 O ATOM 166 CB ALA A 380 5.191 7.298 -12.461 1.00 0.00 C ATOM 0 H ALA A 380 7.222 7.361 -13.905 1.00 0.00 H new ATOM 0 HA ALA A 380 6.752 8.368 -11.433 1.00 0.00 H new ATOM 0 HB1 ALA A 380 4.472 7.399 -11.648 1.00 0.00 H new ATOM 0 HB2 ALA A 380 5.034 8.096 -13.186 1.00 0.00 H new ATOM 0 HB3 ALA A 380 5.054 6.333 -12.949 1.00 0.00 H new ATOM 172 N VAL A 381 7.537 5.238 -11.207 1.00 0.00 N ATOM 173 CA VAL A 381 7.785 4.148 -10.282 1.00 0.00 C ATOM 174 C VAL A 381 8.531 4.651 -9.052 1.00 0.00 C ATOM 175 O VAL A 381 8.198 4.290 -7.924 1.00 0.00 O ATOM 176 CB VAL A 381 8.614 3.066 -10.976 1.00 0.00 C ATOM 177 CG1 VAL A 381 10.036 3.587 -11.235 1.00 0.00 C ATOM 178 CG2 VAL A 381 8.675 1.824 -10.087 1.00 0.00 C ATOM 0 H VAL A 381 7.937 5.108 -12.136 1.00 0.00 H new ATOM 0 HA VAL A 381 6.828 3.732 -9.966 1.00 0.00 H new ATOM 0 HB VAL A 381 8.149 2.809 -11.928 1.00 0.00 H new ATOM 0 HG11 VAL A 381 10.623 2.813 -11.729 1.00 0.00 H new ATOM 0 HG12 VAL A 381 9.990 4.470 -11.873 1.00 0.00 H new ATOM 0 HG13 VAL A 381 10.506 3.848 -10.287 1.00 0.00 H new ATOM 0 HG21 VAL A 381 9.266 1.052 -10.580 1.00 0.00 H new ATOM 0 HG22 VAL A 381 9.137 2.081 -9.134 1.00 0.00 H new ATOM 0 HG23 VAL A 381 7.666 1.452 -9.912 1.00 0.00 H new ATOM 188 N GLY A 382 9.541 5.483 -9.280 1.00 0.00 N ATOM 189 CA GLY A 382 10.329 6.024 -8.182 1.00 0.00 C ATOM 190 C GLY A 382 9.474 6.902 -7.279 1.00 0.00 C ATOM 191 O GLY A 382 9.575 6.834 -6.055 1.00 0.00 O ATOM 0 H GLY A 382 9.831 5.795 -10.207 1.00 0.00 H new ATOM 0 HA2 GLY A 382 10.759 5.208 -7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 382 11.161 6.605 -8.579 1.00 0.00 H new ATOM 195 N ALA A 383 8.629 7.726 -7.891 1.00 0.00 N ATOM 196 CA ALA A 383 7.759 8.614 -7.128 1.00 0.00 C ATOM 197 C ALA A 383 6.783 7.807 -6.281 1.00 0.00 C ATOM 198 O ALA A 383 6.527 8.138 -5.123 1.00 0.00 O ATOM 199 CB ALA A 383 6.982 9.524 -8.081 1.00 0.00 C ATOM 0 H ALA A 383 8.528 7.797 -8.904 1.00 0.00 H new ATOM 0 HA ALA A 383 8.377 9.222 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 383 6.334 10.185 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 383 7.682 10.121 -8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 383 6.376 8.915 -8.752 1.00 0.00 H new ATOM 205 N ALA A 384 6.245 6.740 -6.862 1.00 0.00 N ATOM 206 CA ALA A 384 5.304 5.888 -6.147 1.00 0.00 C ATOM 207 C ALA A 384 5.998 5.191 -4.985 1.00 0.00 C ATOM 208 O ALA A 384 5.411 5.004 -3.921 1.00 0.00 O ATOM 209 CB ALA A 384 4.718 4.840 -7.098 1.00 0.00 C ATOM 0 H ALA A 384 6.443 6.447 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 384 4.499 6.511 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 384 4.016 4.208 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 384 4.198 5.340 -7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 384 5.522 4.225 -7.502 1.00 0.00 H new ATOM 215 N LEU A 385 7.248 4.798 -5.201 1.00 0.00 N ATOM 216 CA LEU A 385 8.002 4.108 -4.168 1.00 0.00 C ATOM 217 C LEU A 385 8.159 5.007 -2.937 1.00 0.00 C ATOM 218 O LEU A 385 7.955 4.573 -1.802 1.00 0.00 O ATOM 219 CB LEU A 385 9.391 3.721 -4.715 1.00 0.00 C ATOM 220 CG LEU A 385 9.917 2.476 -3.988 1.00 0.00 C ATOM 221 CD1 LEU A 385 11.263 2.062 -4.585 1.00 0.00 C ATOM 222 CD2 LEU A 385 10.078 2.765 -2.486 1.00 0.00 C ATOM 0 H LEU A 385 7.755 4.945 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 385 7.463 3.206 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 385 9.327 3.527 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 385 10.086 4.550 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 385 9.201 1.664 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 385 11.634 1.178 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 385 11.137 1.836 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 385 11.978 2.877 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 385 10.452 1.874 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 385 10.784 3.584 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 385 9.112 3.043 -2.063 1.00 0.00 H new ATOM 234 N ALA A 386 8.511 6.262 -3.171 1.00 0.00 N ATOM 235 CA ALA A 386 8.690 7.204 -2.076 1.00 0.00 C ATOM 236 C ALA A 386 7.382 7.383 -1.316 1.00 0.00 C ATOM 237 O ALA A 386 7.377 7.529 -0.093 1.00 0.00 O ATOM 238 CB ALA A 386 9.162 8.554 -2.616 1.00 0.00 C ATOM 0 H ALA A 386 8.677 6.650 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 386 9.444 6.808 -1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 386 9.293 9.251 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 386 10.111 8.426 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 386 8.419 8.949 -3.309 1.00 0.00 H new ATOM 244 N GLY A 387 6.273 7.371 -2.047 1.00 0.00 N ATOM 245 CA GLY A 387 4.962 7.534 -1.429 1.00 0.00 C ATOM 246 C GLY A 387 4.668 6.391 -0.464 1.00 0.00 C ATOM 247 O GLY A 387 4.095 6.596 0.606 1.00 0.00 O ATOM 0 H GLY A 387 6.254 7.251 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 387 4.923 8.484 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 387 4.194 7.570 -2.201 1.00 0.00 H new ATOM 251 N VAL A 388 5.065 5.185 -0.852 1.00 0.00 N ATOM 252 CA VAL A 388 4.842 4.009 -0.019 1.00 0.00 C ATOM 253 C VAL A 388 5.646 4.105 1.272 1.00 0.00 C ATOM 254 O VAL A 388 5.158 3.759 2.348 1.00 0.00 O ATOM 255 CB VAL A 388 5.238 2.742 -0.779 1.00 0.00 C ATOM 256 CG1 VAL A 388 5.081 1.527 0.138 1.00 0.00 C ATOM 257 CG2 VAL A 388 4.331 2.580 -2.002 1.00 0.00 C ATOM 0 H VAL A 388 5.541 4.996 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 388 3.782 3.963 0.230 1.00 0.00 H new ATOM 0 HB VAL A 388 6.276 2.820 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 388 5.363 0.624 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.725 1.644 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 388 4.043 1.447 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 388 4.611 1.678 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 388 3.293 2.501 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 388 4.442 3.446 -2.655 1.00 0.00 H new ATOM 267 N LEU A 389 6.887 4.563 1.156 1.00 0.00 N ATOM 268 CA LEU A 389 7.752 4.679 2.319 1.00 0.00 C ATOM 269 C LEU A 389 7.109 5.610 3.348 1.00 0.00 C ATOM 270 O LEU A 389 7.173 5.371 4.555 1.00 0.00 O ATOM 271 CB LEU A 389 9.136 5.226 1.890 1.00 0.00 C ATOM 272 CG LEU A 389 10.226 4.672 2.813 1.00 0.00 C ATOM 273 CD1 LEU A 389 11.583 5.225 2.378 1.00 0.00 C ATOM 274 CD2 LEU A 389 9.941 5.071 4.270 1.00 0.00 C ATOM 0 H LEU A 389 7.312 4.857 0.277 1.00 0.00 H new ATOM 0 HA LEU A 389 7.888 3.696 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 389 9.344 4.944 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 389 9.134 6.315 1.929 1.00 0.00 H new ATOM 0 HG LEU A 389 10.236 3.584 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 389 12.362 4.833 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 389 11.786 4.923 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 389 11.570 6.313 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 389 10.723 4.671 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 389 9.922 6.158 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 389 8.976 4.667 4.576 1.00 0.00 H new ATOM 286 N ILE A 390 6.483 6.671 2.861 1.00 0.00 N ATOM 287 CA ILE A 390 5.832 7.626 3.743 1.00 0.00 C ATOM 288 C ILE A 390 4.686 6.965 4.490 1.00 0.00 C ATOM 289 O ILE A 390 4.506 7.185 5.685 1.00 0.00 O ATOM 290 CB ILE A 390 5.320 8.819 2.932 1.00 0.00 C ATOM 291 CG1 ILE A 390 6.515 9.613 2.374 1.00 0.00 C ATOM 292 CG2 ILE A 390 4.469 9.732 3.815 1.00 0.00 C ATOM 293 CD1 ILE A 390 7.386 10.201 3.512 1.00 0.00 C ATOM 0 H ILE A 390 6.412 6.891 1.867 1.00 0.00 H new ATOM 0 HA ILE A 390 6.559 7.980 4.474 1.00 0.00 H new ATOM 0 HB ILE A 390 4.708 8.450 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 390 7.125 8.963 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 390 6.152 10.420 1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 390 4.111 10.577 3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 390 3.617 9.173 4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 390 5.071 10.098 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 390 8.220 10.755 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 390 6.782 10.871 4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 390 7.770 9.391 4.132 1.00 0.00 H new ATOM 305 N LEU A 391 3.916 6.164 3.774 1.00 0.00 N ATOM 306 CA LEU A 391 2.782 5.484 4.373 1.00 0.00 C ATOM 307 C LEU A 391 3.243 4.548 5.484 1.00 0.00 C ATOM 308 O LEU A 391 2.605 4.451 6.534 1.00 0.00 O ATOM 309 CB LEU A 391 2.036 4.687 3.298 1.00 0.00 C ATOM 310 CG LEU A 391 1.118 5.631 2.487 1.00 0.00 C ATOM 311 CD1 LEU A 391 0.914 5.065 1.080 1.00 0.00 C ATOM 312 CD2 LEU A 391 -0.245 5.750 3.182 1.00 0.00 C ATOM 0 H LEU A 391 4.055 5.970 2.782 1.00 0.00 H new ATOM 0 HA LEU A 391 2.114 6.229 4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 391 2.749 4.199 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 391 1.443 3.899 3.763 1.00 0.00 H new ATOM 0 HG LEU A 391 1.584 6.614 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 391 0.267 5.732 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 391 1.878 4.979 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 391 0.451 4.080 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -0.889 6.416 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -0.707 4.765 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -0.108 6.154 4.185 1.00 0.00 H new ATOM 324 N VAL A 392 4.347 3.860 5.241 1.00 0.00 N ATOM 325 CA VAL A 392 4.887 2.929 6.223 1.00 0.00 C ATOM 326 C VAL A 392 5.292 3.670 7.489 1.00 0.00 C ATOM 327 O VAL A 392 5.082 3.187 8.601 1.00 0.00 O ATOM 328 CB VAL A 392 6.097 2.192 5.643 1.00 0.00 C ATOM 329 CG1 VAL A 392 6.736 1.322 6.730 1.00 0.00 C ATOM 330 CG2 VAL A 392 5.640 1.302 4.481 1.00 0.00 C ATOM 0 H VAL A 392 4.886 3.927 4.377 1.00 0.00 H new ATOM 0 HA VAL A 392 4.114 2.202 6.472 1.00 0.00 H new ATOM 0 HB VAL A 392 6.827 2.917 5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 392 7.597 0.797 6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 392 7.059 1.953 7.558 1.00 0.00 H new ATOM 0 HG13 VAL A 392 6.007 0.596 7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 392 6.500 0.776 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 392 4.911 0.577 4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 392 5.184 1.920 3.707 1.00 0.00 H new ATOM 340 N LEU A 393 5.884 4.840 7.316 1.00 0.00 N ATOM 341 CA LEU A 393 6.327 5.632 8.461 1.00 0.00 C ATOM 342 C LEU A 393 5.147 5.989 9.348 1.00 0.00 C ATOM 343 O LEU A 393 5.241 5.945 10.573 1.00 0.00 O ATOM 344 CB LEU A 393 7.020 6.918 7.971 1.00 0.00 C ATOM 345 CG LEU A 393 8.526 6.662 7.730 1.00 0.00 C ATOM 346 CD1 LEU A 393 9.058 7.647 6.685 1.00 0.00 C ATOM 347 CD2 LEU A 393 9.290 6.856 9.046 1.00 0.00 C ATOM 0 H LEU A 393 6.069 5.262 6.406 1.00 0.00 H new ATOM 0 HA LEU A 393 7.034 5.040 9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 393 6.551 7.262 7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 393 6.893 7.711 8.708 1.00 0.00 H new ATOM 0 HG LEU A 393 8.666 5.643 7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 393 10.119 7.463 6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 393 8.515 7.513 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 393 8.919 8.667 7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 393 10.352 6.676 8.880 1.00 0.00 H new ATOM 0 HD22 LEU A 393 9.146 7.876 9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 393 8.915 6.154 9.791 1.00 0.00 H new ATOM 359 N LEU A 394 4.041 6.346 8.726 1.00 0.00 N ATOM 360 CA LEU A 394 2.859 6.713 9.480 1.00 0.00 C ATOM 361 C LEU A 394 2.368 5.535 10.315 1.00 0.00 C ATOM 362 O LEU A 394 2.013 5.695 11.480 1.00 0.00 O ATOM 363 CB LEU A 394 1.759 7.153 8.520 1.00 0.00 C ATOM 364 CG LEU A 394 0.470 7.509 9.308 1.00 0.00 C ATOM 365 CD1 LEU A 394 -0.144 8.799 8.756 1.00 0.00 C ATOM 366 CD2 LEU A 394 -0.558 6.370 9.183 1.00 0.00 C ATOM 0 H LEU A 394 3.936 6.390 7.712 1.00 0.00 H new ATOM 0 HA LEU A 394 3.113 7.534 10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 394 2.092 8.017 7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 394 1.549 6.356 7.806 1.00 0.00 H new ATOM 0 HG LEU A 394 0.733 7.649 10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -1.048 9.040 9.315 1.00 0.00 H new ATOM 0 HD12 LEU A 394 0.573 9.614 8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -0.394 8.662 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -1.458 6.630 9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -0.810 6.221 8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -0.134 5.451 9.588 1.00 0.00 H new ATOM 378 N ALA A 395 2.356 4.351 9.709 1.00 0.00 N ATOM 379 CA ALA A 395 1.912 3.150 10.408 1.00 0.00 C ATOM 380 C ALA A 395 2.874 2.797 11.538 1.00 0.00 C ATOM 381 O ALA A 395 2.457 2.334 12.599 1.00 0.00 O ATOM 382 CB ALA A 395 1.818 1.979 9.431 1.00 0.00 C ATOM 0 H ALA A 395 2.646 4.198 8.743 1.00 0.00 H new ATOM 0 HA ALA A 395 0.928 3.347 10.834 1.00 0.00 H new ATOM 0 HB1 ALA A 395 1.486 1.087 9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 395 1.104 2.219 8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 395 2.797 1.794 8.989 1.00 0.00 H new ATOM 388 N TYR A 396 4.163 3.015 11.300 1.00 0.00 N ATOM 389 CA TYR A 396 5.176 2.708 12.304 1.00 0.00 C ATOM 390 C TYR A 396 4.937 3.518 13.574 1.00 0.00 C ATOM 391 O TYR A 396 5.012 2.995 14.684 1.00 0.00 O ATOM 392 CB TYR A 396 6.572 3.015 11.749 1.00 0.00 C ATOM 393 CG TYR A 396 7.604 2.781 12.824 1.00 0.00 C ATOM 394 CD1 TYR A 396 8.079 1.486 13.066 1.00 0.00 C ATOM 395 CD2 TYR A 396 8.086 3.855 13.581 1.00 0.00 C ATOM 396 CE1 TYR A 396 9.034 1.265 14.064 1.00 0.00 C ATOM 397 CE2 TYR A 396 9.042 3.635 14.579 1.00 0.00 C ATOM 398 CZ TYR A 396 9.517 2.340 14.821 1.00 0.00 C ATOM 399 OH TYR A 396 10.459 2.123 15.805 1.00 0.00 O ATOM 0 H TYR A 396 4.529 3.400 10.429 1.00 0.00 H new ATOM 0 HA TYR A 396 5.109 1.648 12.549 1.00 0.00 H new ATOM 0 HB2 TYR A 396 6.780 2.381 10.887 1.00 0.00 H new ATOM 0 HB3 TYR A 396 6.619 4.048 11.404 1.00 0.00 H new ATOM 0 HD1 TYR A 396 7.708 0.657 12.482 1.00 0.00 H new ATOM 0 HD2 TYR A 396 7.720 4.854 13.395 1.00 0.00 H new ATOM 0 HE1 TYR A 396 9.399 0.266 14.251 1.00 0.00 H new ATOM 0 HE2 TYR A 396 9.414 4.464 15.163 1.00 0.00 H new ATOM 0 HH TYR A 396 10.687 2.974 16.233 1.00 0.00 H new ATOM 409 N PHE A 397 4.654 4.798 13.400 1.00 0.00 N ATOM 410 CA PHE A 397 4.410 5.682 14.536 1.00 0.00 C ATOM 411 C PHE A 397 3.200 5.212 15.333 1.00 0.00 C ATOM 412 O PHE A 397 3.238 5.156 16.561 1.00 0.00 O ATOM 413 CB PHE A 397 4.179 7.125 14.048 1.00 0.00 C ATOM 414 CG PHE A 397 5.503 7.778 13.708 1.00 0.00 C ATOM 415 CD1 PHE A 397 6.470 7.955 14.708 1.00 0.00 C ATOM 416 CD2 PHE A 397 5.773 8.197 12.392 1.00 0.00 C ATOM 417 CE1 PHE A 397 7.696 8.547 14.398 1.00 0.00 C ATOM 418 CE2 PHE A 397 7.004 8.784 12.087 1.00 0.00 C ATOM 419 CZ PHE A 397 7.965 8.959 13.089 1.00 0.00 C ATOM 0 H PHE A 397 4.587 5.250 12.488 1.00 0.00 H new ATOM 0 HA PHE A 397 5.288 5.657 15.182 1.00 0.00 H new ATOM 0 HB2 PHE A 397 3.531 7.121 13.172 1.00 0.00 H new ATOM 0 HB3 PHE A 397 3.668 7.701 14.820 1.00 0.00 H new ATOM 0 HD1 PHE A 397 6.266 7.633 15.719 1.00 0.00 H new ATOM 0 HD2 PHE A 397 5.030 8.065 11.619 1.00 0.00 H new ATOM 0 HE1 PHE A 397 8.438 8.687 15.170 1.00 0.00 H new ATOM 0 HE2 PHE A 397 7.214 9.103 11.077 1.00 0.00 H new ATOM 0 HZ PHE A 397 8.916 9.413 12.851 1.00 0.00 H new ATOM 429 N ILE A 398 2.135 4.873 14.624 1.00 0.00 N ATOM 430 CA ILE A 398 0.920 4.405 15.270 1.00 0.00 C ATOM 431 C ILE A 398 1.186 3.093 16.007 1.00 0.00 C ATOM 432 O ILE A 398 0.715 2.893 17.128 1.00 0.00 O ATOM 433 CB ILE A 398 -0.193 4.209 14.231 1.00 0.00 C ATOM 434 CG1 ILE A 398 -0.604 5.568 13.669 1.00 0.00 C ATOM 435 CG2 ILE A 398 -1.403 3.545 14.895 1.00 0.00 C ATOM 436 CD1 ILE A 398 -1.475 5.358 12.429 1.00 0.00 C ATOM 0 H ILE A 398 2.087 4.913 13.606 1.00 0.00 H new ATOM 0 HA ILE A 398 0.598 5.155 15.992 1.00 0.00 H new ATOM 0 HB ILE A 398 0.171 3.574 13.423 1.00 0.00 H new ATOM 0 HG12 ILE A 398 -1.152 6.135 14.421 1.00 0.00 H new ATOM 0 HG13 ILE A 398 0.280 6.151 13.412 1.00 0.00 H new ATOM 0 HG21 ILE A 398 -2.193 3.406 14.157 1.00 0.00 H new ATOM 0 HG22 ILE A 398 -1.110 2.576 15.299 1.00 0.00 H new ATOM 0 HG23 ILE A 398 -1.769 4.179 15.702 1.00 0.00 H new ATOM 0 HD11 ILE A 398 -1.771 6.326 12.024 1.00 0.00 H new ATOM 0 HD12 ILE A 398 -0.910 4.807 11.677 1.00 0.00 H new ATOM 0 HD13 ILE A 398 -2.365 4.791 12.701 1.00 0.00 H new ATOM 448 N GLY A 399 1.938 2.198 15.368 1.00 0.00 N ATOM 449 CA GLY A 399 2.253 0.913 15.967 1.00 0.00 C ATOM 450 C GLY A 399 3.101 1.088 17.215 1.00 0.00 C ATOM 451 O GLY A 399 2.970 0.332 18.179 1.00 0.00 O ATOM 0 H GLY A 399 2.336 2.343 14.440 1.00 0.00 H new ATOM 0 HA2 GLY A 399 1.331 0.390 16.220 1.00 0.00 H new ATOM 0 HA3 GLY A 399 2.784 0.292 15.246 1.00 0.00 H new ATOM 455 N LEU A 400 3.976 2.086 17.191 1.00 0.00 N ATOM 456 CA LEU A 400 4.845 2.344 18.328 1.00 0.00 C ATOM 457 C LEU A 400 4.020 2.694 19.562 1.00 0.00 C ATOM 458 O LEU A 400 4.317 2.240 20.668 1.00 0.00 O ATOM 459 CB LEU A 400 5.811 3.494 18.009 1.00 0.00 C ATOM 460 CG LEU A 400 6.676 3.817 19.240 1.00 0.00 C ATOM 461 CD1 LEU A 400 7.440 2.561 19.691 1.00 0.00 C ATOM 462 CD2 LEU A 400 7.670 4.924 18.880 1.00 0.00 C ATOM 0 H LEU A 400 4.101 2.723 16.404 1.00 0.00 H new ATOM 0 HA LEU A 400 5.420 1.440 18.532 1.00 0.00 H new ATOM 0 HB2 LEU A 400 6.449 3.220 17.169 1.00 0.00 H new ATOM 0 HB3 LEU A 400 5.249 4.378 17.708 1.00 0.00 H new ATOM 0 HG LEU A 400 6.034 4.151 20.055 1.00 0.00 H new ATOM 0 HD11 LEU A 400 8.049 2.799 20.563 1.00 0.00 H new ATOM 0 HD12 LEU A 400 6.729 1.776 19.949 1.00 0.00 H new ATOM 0 HD13 LEU A 400 8.084 2.216 18.882 1.00 0.00 H new ATOM 0 HD21 LEU A 400 8.286 5.157 19.749 1.00 0.00 H new ATOM 0 HD22 LEU A 400 8.308 4.588 18.063 1.00 0.00 H new ATOM 0 HD23 LEU A 400 7.125 5.816 18.572 1.00 0.00 H new ATOM 474 N LYS A 401 2.992 3.511 19.368 1.00 0.00 N ATOM 475 CA LYS A 401 2.141 3.922 20.475 1.00 0.00 C ATOM 476 C LYS A 401 1.340 2.738 21.001 1.00 0.00 C ATOM 477 O LYS A 401 0.820 1.935 20.226 1.00 0.00 O ATOM 478 CB LYS A 401 1.183 5.024 20.016 1.00 0.00 C ATOM 479 CG LYS A 401 1.976 6.289 19.680 1.00 0.00 C ATOM 480 CD LYS A 401 1.017 7.377 19.193 1.00 0.00 C ATOM 481 CE LYS A 401 1.816 8.611 18.771 1.00 0.00 C ATOM 482 NZ LYS A 401 2.444 9.231 19.972 1.00 0.00 N ATOM 0 H LYS A 401 2.730 3.899 18.462 1.00 0.00 H new ATOM 0 HA LYS A 401 2.776 4.302 21.275 1.00 0.00 H new ATOM 0 HB2 LYS A 401 0.623 4.691 19.142 1.00 0.00 H new ATOM 0 HB3 LYS A 401 0.455 5.236 20.799 1.00 0.00 H new ATOM 0 HG2 LYS A 401 2.519 6.635 20.559 1.00 0.00 H new ATOM 0 HG3 LYS A 401 2.718 6.073 18.912 1.00 0.00 H new ATOM 0 HD2 LYS A 401 0.428 7.008 18.354 1.00 0.00 H new ATOM 0 HD3 LYS A 401 0.315 7.639 19.985 1.00 0.00 H new ATOM 0 HE2 LYS A 401 2.584 8.331 18.050 1.00 0.00 H new ATOM 0 HE3 LYS A 401 1.162 9.330 18.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 2.783 10.185 19.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 1.742 9.295 20.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 3.246 8.647 20.285 1.00 0.00 H new ATOM 496 N HIS A 402 1.246 2.635 22.321 1.00 0.00 N ATOM 497 CA HIS A 402 0.506 1.543 22.941 1.00 0.00 C ATOM 498 C HIS A 402 -0.979 1.655 22.615 1.00 0.00 C ATOM 499 O HIS A 402 -1.656 0.647 22.407 1.00 0.00 O ATOM 500 CB HIS A 402 0.705 1.574 24.458 1.00 0.00 C ATOM 501 CG HIS A 402 2.100 1.127 24.792 1.00 0.00 C ATOM 502 ND1 HIS A 402 3.186 1.989 24.749 1.00 0.00 N ATOM 503 CD2 HIS A 402 2.606 -0.091 25.175 1.00 0.00 C ATOM 504 CE1 HIS A 402 4.277 1.285 25.096 1.00 0.00 C ATOM 505 NE2 HIS A 402 3.980 0.011 25.366 1.00 0.00 N ATOM 0 H HIS A 402 1.670 3.289 22.979 1.00 0.00 H new ATOM 0 HA HIS A 402 0.883 0.599 22.547 1.00 0.00 H new ATOM 0 HB2 HIS A 402 0.535 2.582 24.837 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.022 0.924 24.944 1.00 0.00 H new ATOM 0 HD2 HIS A 402 2.025 -0.992 25.308 1.00 0.00 H new ATOM 0 HE1 HIS A 402 5.273 1.699 25.150 1.00 0.00 H new ATOM 0 HE2 HIS A 402 4.623 -0.728 25.651 1.00 0.00 H new ATOM 514 N HIS A 403 -1.480 2.884 22.572 1.00 0.00 N ATOM 515 CA HIS A 403 -2.887 3.115 22.268 1.00 0.00 C ATOM 516 C HIS A 403 -3.141 2.964 20.773 1.00 0.00 C ATOM 517 O HIS A 403 -2.375 3.469 19.956 1.00 0.00 O ATOM 518 CB HIS A 403 -3.290 4.521 22.714 1.00 0.00 C ATOM 519 CG HIS A 403 -3.162 4.631 24.208 1.00 0.00 C ATOM 520 ND1 HIS A 403 -3.278 5.843 24.871 1.00 0.00 N ATOM 521 CD2 HIS A 403 -2.925 3.692 25.182 1.00 0.00 C ATOM 522 CE1 HIS A 403 -3.113 5.603 26.185 1.00 0.00 C ATOM 523 NE2 HIS A 403 -2.895 4.307 26.429 1.00 0.00 N ATOM 0 H HIS A 403 -0.937 3.731 22.743 1.00 0.00 H new ATOM 0 HA HIS A 403 -3.483 2.377 22.804 1.00 0.00 H new ATOM 0 HB2 HIS A 403 -2.656 5.263 22.229 1.00 0.00 H new ATOM 0 HB3 HIS A 403 -4.316 4.730 22.410 1.00 0.00 H new ATOM 0 HD2 HIS A 403 -2.783 2.636 25.006 1.00 0.00 H new ATOM 0 HE1 HIS A 403 -3.152 6.365 26.949 1.00 0.00 H new ATOM 0 HE2 HIS A 403 -2.740 3.864 27.335 1.00 0.00 H new ATOM 532 N HIS A 404 -4.224 2.271 20.424 1.00 0.00 N ATOM 533 CA HIS A 404 -4.580 2.058 19.019 1.00 0.00 C ATOM 534 C HIS A 404 -5.833 2.847 18.662 1.00 0.00 C ATOM 535 O HIS A 404 -6.792 2.892 19.433 1.00 0.00 O ATOM 536 CB HIS A 404 -4.823 0.569 18.765 1.00 0.00 C ATOM 537 CG HIS A 404 -3.547 -0.193 18.996 1.00 0.00 C ATOM 538 ND1 HIS A 404 -2.481 -0.137 18.110 1.00 0.00 N ATOM 539 CD2 HIS A 404 -3.150 -1.036 20.005 1.00 0.00 C ATOM 540 CE1 HIS A 404 -1.504 -0.924 18.599 1.00 0.00 C ATOM 541 NE2 HIS A 404 -1.860 -1.496 19.751 1.00 0.00 N ATOM 0 H HIS A 404 -4.869 1.848 21.091 1.00 0.00 H new ATOM 0 HA HIS A 404 -3.756 2.404 18.395 1.00 0.00 H new ATOM 0 HB2 HIS A 404 -5.605 0.199 19.428 1.00 0.00 H new ATOM 0 HB3 HIS A 404 -5.171 0.415 17.744 1.00 0.00 H new ATOM 0 HD2 HIS A 404 -3.747 -1.302 20.865 1.00 0.00 H new ATOM 0 HE1 HIS A 404 -0.549 -1.074 18.118 1.00 0.00 H new ATOM 0 HE2 HIS A 404 -1.306 -2.134 20.323 1.00 0.00 H new ATOM 550 N ALA A 405 -5.812 3.475 17.491 1.00 0.00 N ATOM 551 CA ALA A 405 -6.950 4.267 17.040 1.00 0.00 C ATOM 552 C ALA A 405 -8.062 3.358 16.527 1.00 0.00 C ATOM 553 O ALA A 405 -9.192 3.799 16.322 1.00 0.00 O ATOM 554 CB ALA A 405 -6.514 5.220 15.926 1.00 0.00 C ATOM 0 H ALA A 405 -5.026 3.451 16.842 1.00 0.00 H new ATOM 0 HA ALA A 405 -7.326 4.844 17.885 1.00 0.00 H new ATOM 0 HB1 ALA A 405 -7.370 5.808 15.595 1.00 0.00 H new ATOM 0 HB2 ALA A 405 -5.738 5.888 16.301 1.00 0.00 H new ATOM 0 HB3 ALA A 405 -6.123 4.644 15.087 1.00 0.00 H new ATOM 560 N GLY A 406 -7.732 2.087 16.323 1.00 0.00 N ATOM 561 CA GLY A 406 -8.710 1.124 15.833 1.00 0.00 C ATOM 562 C GLY A 406 -9.835 0.925 16.842 1.00 0.00 C ATOM 563 O GLY A 406 -11.000 0.827 16.467 1.00 0.00 O ATOM 0 H GLY A 406 -6.802 1.702 16.488 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -9.124 1.470 14.886 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -8.220 0.170 15.637 1.00 0.00 H new ATOM 567 N TYR A 407 -9.474 0.870 18.124 1.00 0.00 N ATOM 568 CA TYR A 407 -10.457 0.685 19.196 1.00 0.00 C ATOM 569 C TYR A 407 -10.467 1.894 20.120 1.00 0.00 C ATOM 570 O TYR A 407 -9.422 2.467 20.418 1.00 0.00 O ATOM 571 CB TYR A 407 -10.123 -0.572 19.998 1.00 0.00 C ATOM 572 CG TYR A 407 -10.302 -1.790 19.121 1.00 0.00 C ATOM 573 CD1 TYR A 407 -11.587 -2.294 18.878 1.00 0.00 C ATOM 574 CD2 TYR A 407 -9.187 -2.416 18.553 1.00 0.00 C ATOM 575 CE1 TYR A 407 -11.755 -3.423 18.068 1.00 0.00 C ATOM 576 CE2 TYR A 407 -9.356 -3.548 17.744 1.00 0.00 C ATOM 577 CZ TYR A 407 -10.639 -4.050 17.501 1.00 0.00 C ATOM 578 OH TYR A 407 -10.804 -5.165 16.705 1.00 0.00 O ATOM 0 H TYR A 407 -8.510 0.951 18.447 1.00 0.00 H new ATOM 0 HA TYR A 407 -11.444 0.575 18.747 1.00 0.00 H new ATOM 0 HB2 TYR A 407 -9.097 -0.521 20.364 1.00 0.00 H new ATOM 0 HB3 TYR A 407 -10.770 -0.642 20.872 1.00 0.00 H new ATOM 0 HD1 TYR A 407 -12.448 -1.811 19.316 1.00 0.00 H new ATOM 0 HD2 TYR A 407 -8.197 -2.027 18.738 1.00 0.00 H new ATOM 0 HE1 TYR A 407 -12.745 -3.810 17.880 1.00 0.00 H new ATOM 0 HE2 TYR A 407 -8.495 -4.033 17.308 1.00 0.00 H new ATOM 0 HH TYR A 407 -9.929 -5.475 16.391 1.00 0.00 H new ATOM 588 N GLU A 408 -11.660 2.276 20.561 1.00 0.00 N ATOM 589 CA GLU A 408 -11.814 3.424 21.450 1.00 0.00 C ATOM 590 C GLU A 408 -11.972 2.958 22.889 1.00 0.00 C ATOM 591 O GLU A 408 -12.912 2.238 23.225 1.00 0.00 O ATOM 592 CB GLU A 408 -13.042 4.244 21.037 1.00 0.00 C ATOM 593 CG GLU A 408 -12.809 4.867 19.651 1.00 0.00 C ATOM 594 CD GLU A 408 -13.088 3.838 18.557 1.00 0.00 C ATOM 595 OE1 GLU A 408 -13.335 2.692 18.898 1.00 0.00 O ATOM 596 OE2 GLU A 408 -13.028 4.206 17.395 1.00 0.00 O ATOM 0 H GLU A 408 -12.534 1.809 20.319 1.00 0.00 H new ATOM 0 HA GLU A 408 -10.922 4.046 21.374 1.00 0.00 H new ATOM 0 HB2 GLU A 408 -13.926 3.607 21.016 1.00 0.00 H new ATOM 0 HB3 GLU A 408 -13.231 5.027 21.771 1.00 0.00 H new ATOM 0 HG2 GLU A 408 -13.458 5.733 19.520 1.00 0.00 H new ATOM 0 HG3 GLU A 408 -11.782 5.223 19.572 1.00 0.00 H new ATOM 603 N GLN A 409 -11.041 3.373 23.733 1.00 0.00 N ATOM 604 CA GLN A 409 -11.077 2.998 25.141 1.00 0.00 C ATOM 605 C GLN A 409 -12.437 3.337 25.752 1.00 0.00 C ATOM 606 O GLN A 409 -13.010 4.389 25.470 1.00 0.00 O ATOM 607 CB GLN A 409 -9.966 3.736 25.905 1.00 0.00 C ATOM 608 CG GLN A 409 -10.423 5.158 26.278 1.00 0.00 C ATOM 609 CD GLN A 409 -9.226 6.028 26.611 1.00 0.00 C ATOM 610 OE1 GLN A 409 -8.120 5.525 26.801 1.00 0.00 O ATOM 611 NE2 GLN A 409 -9.384 7.320 26.691 1.00 0.00 N ATOM 0 H GLN A 409 -10.254 3.967 23.471 1.00 0.00 H new ATOM 0 HA GLN A 409 -10.918 1.922 25.219 1.00 0.00 H new ATOM 0 HB2 GLN A 409 -9.707 3.182 26.807 1.00 0.00 H new ATOM 0 HB3 GLN A 409 -9.066 3.786 25.292 1.00 0.00 H new ATOM 0 HG2 GLN A 409 -10.980 5.597 25.450 1.00 0.00 H new ATOM 0 HG3 GLN A 409 -11.100 5.117 27.132 1.00 0.00 H new ATOM 0 HE21 GLN A 409 -10.303 7.732 26.532 1.00 0.00 H new ATOM 0 HE22 GLN A 409 -8.588 7.918 26.912 1.00 0.00 H new ATOM 620 N PHE A 410 -12.943 2.449 26.597 1.00 0.00 N ATOM 621 CA PHE A 410 -14.229 2.676 27.246 1.00 0.00 C ATOM 622 C PHE A 410 -14.063 3.603 28.447 1.00 0.00 C ATOM 623 O PHE A 410 -15.059 4.153 28.887 1.00 0.00 O ATOM 624 CB PHE A 410 -14.820 1.343 27.704 1.00 0.00 C ATOM 625 CG PHE A 410 -16.124 1.594 28.423 1.00 0.00 C ATOM 626 CD1 PHE A 410 -17.284 1.874 27.690 1.00 0.00 C ATOM 627 CD2 PHE A 410 -16.175 1.545 29.822 1.00 0.00 C ATOM 628 CE1 PHE A 410 -18.493 2.105 28.355 1.00 0.00 C ATOM 629 CE2 PHE A 410 -17.384 1.777 30.487 1.00 0.00 C ATOM 630 CZ PHE A 410 -18.544 2.056 29.753 1.00 0.00 C ATOM 631 OXT PHE A 410 -12.942 3.750 28.909 1.00 0.00 O ATOM 0 H PHE A 410 -12.488 1.571 26.848 1.00 0.00 H new ATOM 0 HA PHE A 410 -14.903 3.145 26.530 1.00 0.00 H new ATOM 0 HB2 PHE A 410 -14.985 0.691 26.846 1.00 0.00 H new ATOM 0 HB3 PHE A 410 -14.121 0.830 28.364 1.00 0.00 H new ATOM 0 HD1 PHE A 410 -17.245 1.912 26.611 1.00 0.00 H new ATOM 0 HD2 PHE A 410 -15.281 1.328 30.388 1.00 0.00 H new ATOM 0 HE1 PHE A 410 -19.387 2.321 27.789 1.00 0.00 H new ATOM 0 HE2 PHE A 410 -17.423 1.741 31.566 1.00 0.00 H new ATOM 0 HZ PHE A 410 -19.478 2.233 30.266 1.00 0.00 H new TER 641 PHE A 410