USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 ASN : amide:sc= 0.474 X(o=0.89,f=0.89) USER MOD Set 1.2: A 19 TYR OH : rot -148:sc= 0.421 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 0.924 (180deg=0.821) USER MOD Single : A 23 SER OG : rot 36:sc= 0.0358 USER MOD Single : A 35 MET CE :methyl -160:sc= -0.0633 (180deg=-0.254) USER MOD Single : A 36 SER OG : rot -165:sc= 1.17 USER MOD Single : A 42 GLN : amide:sc= 0.427 K(o=0.43,f=-0.42) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.133 K(o=-0.13,f=-5.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= 2 (180deg=0.977) USER MOD Single : A 60 GLN : amide:sc= 1.08 K(o=1.1,f=-6.8!) USER MOD Single : A 61 SER OG : rot 77:sc= 0.64 USER MOD Single : A 65 THR OG1 : rot 79:sc= 0.607 USER MOD Single : A 68 ASN : amide:sc= 0.334 X(o=0.33,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 6 -31.731 3.375 -14.073 1.00 0.00 N ATOM 70 CA PRO A 6 -31.424 4.740 -14.515 1.00 0.00 C ATOM 71 C PRO A 6 -32.595 5.508 -15.117 1.00 0.00 C ATOM 72 O PRO A 6 -32.725 6.710 -14.862 1.00 0.00 O ATOM 73 CB PRO A 6 -30.276 4.610 -15.529 1.00 0.00 C ATOM 74 CG PRO A 6 -30.394 3.162 -16.002 1.00 0.00 C ATOM 75 CD PRO A 6 -30.854 2.428 -14.747 1.00 0.00 C ATOM 0 HA PRO A 6 -31.156 5.333 -13.641 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -30.385 5.314 -16.354 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -29.308 4.806 -15.069 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -31.113 3.060 -16.815 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -29.442 2.778 -16.368 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -31.381 1.507 -14.996 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -30.009 2.151 -14.117 1.00 0.00 H new ATOM 83 N VAL A 7 -33.476 4.799 -15.836 1.00 0.00 N ATOM 84 CA VAL A 7 -34.767 5.323 -16.309 1.00 0.00 C ATOM 85 C VAL A 7 -35.466 6.035 -15.168 1.00 0.00 C ATOM 86 O VAL A 7 -35.782 7.212 -15.248 1.00 0.00 O ATOM 87 CB VAL A 7 -35.707 4.202 -16.812 1.00 0.00 C ATOM 88 CG1 VAL A 7 -37.022 4.790 -17.314 1.00 0.00 C ATOM 89 CG2 VAL A 7 -35.000 3.220 -17.748 1.00 0.00 C ATOM 0 H VAL A 7 -33.310 3.831 -16.110 1.00 0.00 H new ATOM 0 HA VAL A 7 -34.555 5.999 -17.138 1.00 0.00 H new ATOM 0 HB VAL A 7 -35.990 3.565 -15.974 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -37.670 3.986 -17.664 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -37.514 5.326 -16.502 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -36.823 5.479 -18.135 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -35.705 2.454 -18.071 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -34.621 3.756 -18.619 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -34.169 2.750 -17.222 1.00 0.00 H new ATOM 99 N MET A 8 -35.696 5.281 -14.101 1.00 0.00 N ATOM 100 CA MET A 8 -36.351 5.713 -12.890 1.00 0.00 C ATOM 101 C MET A 8 -35.710 6.931 -12.225 1.00 0.00 C ATOM 102 O MET A 8 -36.434 7.821 -11.803 1.00 0.00 O ATOM 103 CB MET A 8 -36.434 4.507 -11.965 1.00 0.00 C ATOM 104 CG MET A 8 -37.637 4.599 -11.029 1.00 0.00 C ATOM 105 SD MET A 8 -39.275 4.914 -11.762 1.00 0.00 S ATOM 106 CE MET A 8 -39.476 3.429 -12.785 1.00 0.00 C ATOM 0 H MET A 8 -35.413 4.302 -14.063 1.00 0.00 H new ATOM 0 HA MET A 8 -37.350 6.073 -13.138 1.00 0.00 H new ATOM 0 HB2 MET A 8 -36.503 3.596 -12.559 1.00 0.00 H new ATOM 0 HB3 MET A 8 -35.519 4.435 -11.377 1.00 0.00 H new ATOM 0 HG2 MET A 8 -37.696 3.665 -10.470 1.00 0.00 H new ATOM 0 HG3 MET A 8 -37.437 5.391 -10.307 1.00 0.00 H new ATOM 0 HE1 MET A 8 -40.435 3.470 -13.302 1.00 0.00 H new ATOM 0 HE2 MET A 8 -38.671 3.380 -13.518 1.00 0.00 H new ATOM 0 HE3 MET A 8 -39.443 2.543 -12.151 1.00 0.00 H new ATOM 116 N ILE A 9 -34.378 6.994 -12.115 1.00 0.00 N ATOM 117 CA ILE A 9 -33.653 8.184 -11.614 1.00 0.00 C ATOM 118 C ILE A 9 -34.016 9.425 -12.425 1.00 0.00 C ATOM 119 O ILE A 9 -34.560 10.382 -11.892 1.00 0.00 O ATOM 120 CB ILE A 9 -32.123 8.002 -11.612 1.00 0.00 C ATOM 121 CG1 ILE A 9 -31.686 6.655 -11.016 1.00 0.00 C ATOM 122 CG2 ILE A 9 -31.444 9.174 -10.875 1.00 0.00 C ATOM 123 CD1 ILE A 9 -30.208 6.381 -11.296 1.00 0.00 C ATOM 0 H ILE A 9 -33.763 6.221 -12.370 1.00 0.00 H new ATOM 0 HA ILE A 9 -33.970 8.314 -10.579 1.00 0.00 H new ATOM 0 HB ILE A 9 -31.800 8.000 -12.653 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -31.861 6.656 -9.940 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -32.293 5.854 -11.437 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -30.363 9.031 -10.882 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -31.689 10.110 -11.376 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -31.798 9.210 -9.845 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.927 5.421 -10.862 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -30.040 6.356 -12.373 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.601 7.171 -10.853 1.00 0.00 H new ATOM 135 N LEU A 10 -33.755 9.382 -13.732 1.00 0.00 N ATOM 136 CA LEU A 10 -34.094 10.432 -14.706 1.00 0.00 C ATOM 137 C LEU A 10 -35.560 10.848 -14.584 1.00 0.00 C ATOM 138 O LEU A 10 -35.906 12.030 -14.536 1.00 0.00 O ATOM 139 CB LEU A 10 -33.703 9.810 -16.065 1.00 0.00 C ATOM 140 CG LEU A 10 -34.300 10.178 -17.430 1.00 0.00 C ATOM 141 CD1 LEU A 10 -35.779 9.945 -17.611 1.00 0.00 C ATOM 142 CD2 LEU A 10 -33.902 11.538 -17.965 1.00 0.00 C ATOM 0 H LEU A 10 -33.284 8.586 -14.162 1.00 0.00 H new ATOM 0 HA LEU A 10 -33.564 11.372 -14.552 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -32.629 9.966 -16.162 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -33.861 8.737 -15.954 1.00 0.00 H new ATOM 0 HG LEU A 10 -33.810 9.428 -18.050 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -36.074 10.245 -18.616 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -36.001 8.887 -17.468 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -36.332 10.534 -16.879 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -34.376 11.701 -18.933 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -34.224 12.312 -17.268 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -32.819 11.581 -18.080 1.00 0.00 H new ATOM 154 N ASN A 11 -36.419 9.841 -14.548 1.00 0.00 N ATOM 155 CA ASN A 11 -37.860 9.985 -14.393 1.00 0.00 C ATOM 156 C ASN A 11 -38.276 10.726 -13.117 1.00 0.00 C ATOM 157 O ASN A 11 -39.063 11.667 -13.143 1.00 0.00 O ATOM 158 CB ASN A 11 -38.471 8.594 -14.506 1.00 0.00 C ATOM 159 CG ASN A 11 -39.990 8.630 -14.554 1.00 0.00 C ATOM 160 OD1 ASN A 11 -40.587 9.196 -15.459 1.00 0.00 O ATOM 161 ND2 ASN A 11 -40.672 8.038 -13.602 1.00 0.00 N ATOM 0 H ASN A 11 -36.123 8.868 -14.628 1.00 0.00 H new ATOM 0 HA ASN A 11 -38.245 10.627 -15.185 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -38.093 8.106 -15.405 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -38.151 7.990 -13.657 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -41.692 8.052 -13.621 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -40.182 7.564 -12.843 1.00 0.00 H new ATOM 168 N GLU A 12 -37.816 10.227 -11.977 1.00 0.00 N ATOM 169 CA GLU A 12 -37.984 10.808 -10.652 1.00 0.00 C ATOM 170 C GLU A 12 -37.459 12.250 -10.536 1.00 0.00 C ATOM 171 O GLU A 12 -38.103 13.125 -9.960 1.00 0.00 O ATOM 172 CB GLU A 12 -37.367 9.837 -9.646 1.00 0.00 C ATOM 173 CG GLU A 12 -37.554 10.254 -8.183 1.00 0.00 C ATOM 174 CD GLU A 12 -39.032 10.140 -7.748 1.00 0.00 C ATOM 175 OE1 GLU A 12 -39.869 10.991 -8.141 1.00 0.00 O ATOM 176 OE2 GLU A 12 -39.371 9.185 -7.016 1.00 0.00 O ATOM 0 H GLU A 12 -37.285 9.356 -11.951 1.00 0.00 H new ATOM 0 HA GLU A 12 -39.045 10.928 -10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -37.808 8.851 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -36.301 9.744 -9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -36.935 9.626 -7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -37.212 11.280 -8.049 1.00 0.00 H new ATOM 183 N LEU A 13 -36.262 12.494 -11.071 1.00 0.00 N ATOM 184 CA LEU A 13 -35.660 13.813 -11.279 1.00 0.00 C ATOM 185 C LEU A 13 -36.551 14.756 -12.113 1.00 0.00 C ATOM 186 O LEU A 13 -36.602 15.954 -11.822 1.00 0.00 O ATOM 187 CB LEU A 13 -34.269 13.632 -11.901 1.00 0.00 C ATOM 188 CG LEU A 13 -33.139 13.127 -10.966 1.00 0.00 C ATOM 189 CD1 LEU A 13 -32.188 14.273 -10.613 1.00 0.00 C ATOM 190 CD2 LEU A 13 -33.516 12.494 -9.619 1.00 0.00 C ATOM 0 H LEU A 13 -35.654 11.738 -11.387 1.00 0.00 H new ATOM 0 HA LEU A 13 -35.561 14.303 -10.311 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -34.358 12.933 -12.732 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -33.959 14.589 -12.321 1.00 0.00 H new ATOM 0 HG LEU A 13 -32.714 12.329 -11.575 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -31.400 13.903 -9.956 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -31.743 14.671 -11.525 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -32.742 15.063 -10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -32.610 12.196 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -34.065 13.218 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -34.141 11.617 -9.791 1.00 0.00 H new ATOM 202 N ARG A 14 -37.247 14.218 -13.132 1.00 0.00 N ATOM 203 CA ARG A 14 -38.137 14.919 -14.092 1.00 0.00 C ATOM 204 C ARG A 14 -37.676 16.342 -14.466 1.00 0.00 C ATOM 205 O ARG A 14 -38.368 17.311 -14.139 1.00 0.00 O ATOM 206 CB ARG A 14 -39.633 14.829 -13.693 1.00 0.00 C ATOM 207 CG ARG A 14 -39.943 15.192 -12.231 1.00 0.00 C ATOM 208 CD ARG A 14 -41.382 14.839 -11.826 1.00 0.00 C ATOM 209 NE ARG A 14 -41.475 14.653 -10.363 1.00 0.00 N ATOM 210 CZ ARG A 14 -41.233 13.529 -9.706 1.00 0.00 C ATOM 211 NH1 ARG A 14 -41.067 12.382 -10.293 1.00 0.00 N ATOM 212 NH2 ARG A 14 -41.127 13.497 -8.413 1.00 0.00 N ATOM 0 H ARG A 14 -37.204 13.217 -13.324 1.00 0.00 H new ATOM 0 HA ARG A 14 -38.043 14.364 -15.026 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -40.207 15.489 -14.344 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -39.982 13.814 -13.881 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -39.247 14.669 -11.575 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -39.780 16.260 -12.083 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -42.060 15.632 -12.142 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -41.697 13.928 -12.335 1.00 0.00 H new ATOM 0 HE ARG A 14 -41.751 15.464 -9.809 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -41.121 12.317 -11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -40.883 11.547 -9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -41.231 14.355 -7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -40.940 12.614 -7.938 1.00 0.00 H new ATOM 226 N PRO A 15 -36.530 16.490 -15.167 1.00 0.00 N ATOM 227 CA PRO A 15 -36.034 17.763 -15.710 1.00 0.00 C ATOM 228 C PRO A 15 -36.904 18.308 -16.869 1.00 0.00 C ATOM 229 O PRO A 15 -36.449 18.443 -18.007 1.00 0.00 O ATOM 230 CB PRO A 15 -34.571 17.483 -16.095 1.00 0.00 C ATOM 231 CG PRO A 15 -34.583 16.000 -16.459 1.00 0.00 C ATOM 232 CD PRO A 15 -35.575 15.423 -15.457 1.00 0.00 C ATOM 0 HA PRO A 15 -36.094 18.570 -14.980 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -34.250 18.101 -16.934 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -33.891 17.689 -15.269 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -34.904 15.837 -17.488 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -33.596 15.549 -16.358 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -36.081 14.550 -15.869 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -35.067 15.098 -14.549 1.00 0.00 H new ATOM 240 N GLY A 16 -38.187 18.581 -16.597 1.00 0.00 N ATOM 241 CA GLY A 16 -39.176 19.119 -17.543 1.00 0.00 C ATOM 242 C GLY A 16 -39.452 18.236 -18.767 1.00 0.00 C ATOM 243 O GLY A 16 -39.778 18.763 -19.833 1.00 0.00 O ATOM 0 H GLY A 16 -38.583 18.426 -15.670 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -40.114 19.280 -17.012 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -38.833 20.095 -17.888 1.00 0.00 H new ATOM 247 N LEU A 17 -39.247 16.916 -18.661 1.00 0.00 N ATOM 248 CA LEU A 17 -39.048 16.053 -19.808 1.00 0.00 C ATOM 249 C LEU A 17 -40.313 15.638 -20.581 1.00 0.00 C ATOM 250 O LEU A 17 -41.440 15.686 -20.082 1.00 0.00 O ATOM 251 CB LEU A 17 -38.163 14.877 -19.380 1.00 0.00 C ATOM 252 CG LEU A 17 -38.566 14.080 -18.131 1.00 0.00 C ATOM 253 CD1 LEU A 17 -39.926 13.401 -18.228 1.00 0.00 C ATOM 254 CD2 LEU A 17 -37.495 13.022 -17.924 1.00 0.00 C ATOM 0 H LEU A 17 -39.216 16.425 -17.767 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.537 16.643 -20.569 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -38.109 14.180 -20.216 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -37.155 15.260 -19.219 1.00 0.00 H new ATOM 0 HG LEU A 17 -38.649 14.779 -17.299 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -40.130 12.861 -17.303 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -40.698 14.154 -18.387 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -39.925 12.701 -19.064 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -37.737 12.426 -17.044 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -37.450 12.374 -18.799 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -36.529 13.506 -17.780 1.00 0.00 H new ATOM 266 N LYS A 18 -40.075 15.177 -21.811 1.00 0.00 N ATOM 267 CA LYS A 18 -40.994 14.416 -22.671 1.00 0.00 C ATOM 268 C LYS A 18 -40.276 13.239 -23.318 1.00 0.00 C ATOM 269 O LYS A 18 -39.138 13.399 -23.767 1.00 0.00 O ATOM 270 CB LYS A 18 -41.702 15.260 -23.739 1.00 0.00 C ATOM 271 CG LYS A 18 -40.767 16.098 -24.629 1.00 0.00 C ATOM 272 CD LYS A 18 -41.516 16.856 -25.737 1.00 0.00 C ATOM 273 CE LYS A 18 -42.108 15.944 -26.824 1.00 0.00 C ATOM 274 NZ LYS A 18 -41.066 15.388 -27.724 1.00 0.00 N ATOM 0 H LYS A 18 -39.176 15.334 -22.266 1.00 0.00 H new ATOM 0 HA LYS A 18 -41.779 14.052 -22.008 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -42.288 14.597 -24.376 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -42.405 15.930 -23.244 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -40.227 16.813 -24.008 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -40.023 15.444 -25.083 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -42.320 17.437 -25.286 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -40.833 17.566 -26.204 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -42.651 15.125 -26.352 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -42.831 16.508 -27.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -41.521 14.907 -28.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -40.465 16.160 -28.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -40.481 14.707 -27.199 1.00 0.00 H new ATOM 288 N TYR A 19 -40.944 12.086 -23.343 1.00 0.00 N ATOM 289 CA TYR A 19 -40.439 10.855 -23.946 1.00 0.00 C ATOM 290 C TYR A 19 -41.114 10.572 -25.291 1.00 0.00 C ATOM 291 O TYR A 19 -42.332 10.671 -25.451 1.00 0.00 O ATOM 292 CB TYR A 19 -40.663 9.641 -23.042 1.00 0.00 C ATOM 293 CG TYR A 19 -40.126 9.758 -21.640 1.00 0.00 C ATOM 294 CD1 TYR A 19 -38.811 9.351 -21.362 1.00 0.00 C ATOM 295 CD2 TYR A 19 -40.960 10.215 -20.602 1.00 0.00 C ATOM 296 CE1 TYR A 19 -38.326 9.409 -20.048 1.00 0.00 C ATOM 297 CE2 TYR A 19 -40.485 10.246 -19.279 1.00 0.00 C ATOM 298 CZ TYR A 19 -39.170 9.832 -18.997 1.00 0.00 C ATOM 299 OH TYR A 19 -38.774 9.713 -17.710 1.00 0.00 O ATOM 0 H TYR A 19 -41.873 11.981 -22.935 1.00 0.00 H new ATOM 0 HA TYR A 19 -39.370 11.010 -24.090 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -41.734 9.447 -22.985 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -40.206 8.771 -23.514 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -38.175 8.994 -22.159 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -41.965 10.542 -20.822 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -37.304 9.129 -19.839 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -41.128 10.587 -18.481 1.00 0.00 H new ATOM 0 HH TYR A 19 -39.555 9.551 -17.141 1.00 0.00 H new ATOM 309 N ASP A 20 -40.281 10.199 -26.252 1.00 0.00 N ATOM 310 CA ASP A 20 -40.603 9.903 -27.646 1.00 0.00 C ATOM 311 C ASP A 20 -40.184 8.465 -27.979 1.00 0.00 C ATOM 312 O ASP A 20 -39.086 8.037 -27.616 1.00 0.00 O ATOM 313 CB ASP A 20 -39.880 10.892 -28.570 1.00 0.00 C ATOM 314 CG ASP A 20 -40.289 12.348 -28.316 1.00 0.00 C ATOM 315 OD1 ASP A 20 -41.312 12.804 -28.881 1.00 0.00 O ATOM 316 OD2 ASP A 20 -39.589 13.070 -27.568 1.00 0.00 O ATOM 0 H ASP A 20 -39.285 10.086 -26.066 1.00 0.00 H new ATOM 0 HA ASP A 20 -41.678 10.003 -27.796 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -38.804 10.792 -28.431 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -40.093 10.635 -29.608 1.00 0.00 H new ATOM 321 N PHE A 21 -41.048 7.720 -28.674 1.00 0.00 N ATOM 322 CA PHE A 21 -40.784 6.334 -29.067 1.00 0.00 C ATOM 323 C PHE A 21 -40.441 6.274 -30.554 1.00 0.00 C ATOM 324 O PHE A 21 -41.181 6.731 -31.429 1.00 0.00 O ATOM 325 CB PHE A 21 -41.994 5.449 -28.733 1.00 0.00 C ATOM 326 CG PHE A 21 -41.823 3.991 -29.134 1.00 0.00 C ATOM 327 CD1 PHE A 21 -42.070 3.582 -30.461 1.00 0.00 C ATOM 328 CD2 PHE A 21 -41.397 3.040 -28.188 1.00 0.00 C ATOM 329 CE1 PHE A 21 -41.873 2.243 -30.840 1.00 0.00 C ATOM 330 CE2 PHE A 21 -41.216 1.696 -28.562 1.00 0.00 C ATOM 331 CZ PHE A 21 -41.454 1.299 -29.889 1.00 0.00 C ATOM 0 H PHE A 21 -41.957 8.065 -28.982 1.00 0.00 H new ATOM 0 HA PHE A 21 -39.930 5.954 -28.507 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -42.184 5.501 -27.661 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -42.875 5.852 -29.233 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -42.412 4.302 -31.190 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -41.208 3.344 -27.169 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -42.044 1.940 -31.863 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -40.894 0.970 -27.830 1.00 0.00 H new ATOM 0 HZ PHE A 21 -41.315 0.268 -30.177 1.00 0.00 H new ATOM 341 N LEU A 22 -39.271 5.698 -30.798 1.00 0.00 N ATOM 342 CA LEU A 22 -38.612 5.427 -32.046 1.00 0.00 C ATOM 343 C LEU A 22 -38.362 3.898 -32.003 1.00 0.00 C ATOM 344 O LEU A 22 -38.401 3.266 -30.942 1.00 0.00 O ATOM 345 CB LEU A 22 -37.306 6.254 -32.102 1.00 0.00 C ATOM 346 CG LEU A 22 -37.275 7.791 -31.972 1.00 0.00 C ATOM 347 CD1 LEU A 22 -38.062 8.527 -33.042 1.00 0.00 C ATOM 348 CD2 LEU A 22 -37.744 8.356 -30.635 1.00 0.00 C ATOM 0 H LEU A 22 -38.699 5.373 -30.018 1.00 0.00 H new ATOM 0 HA LEU A 22 -39.178 5.700 -32.936 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -36.660 5.865 -31.315 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -36.830 6.015 -33.053 1.00 0.00 H new ATOM 0 HG LEU A 22 -36.205 7.970 -32.083 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -37.986 9.601 -32.875 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -37.657 8.283 -34.024 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -39.108 8.225 -32.996 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -37.680 9.444 -30.657 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -38.777 8.057 -30.456 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -37.111 7.971 -29.835 1.00 0.00 H new ATOM 360 N SER A 23 -38.148 3.237 -33.131 1.00 0.00 N ATOM 361 CA SER A 23 -37.637 1.856 -33.085 1.00 0.00 C ATOM 362 C SER A 23 -36.790 1.501 -34.292 1.00 0.00 C ATOM 363 O SER A 23 -37.262 1.473 -35.428 1.00 0.00 O ATOM 364 CB SER A 23 -38.729 0.825 -32.809 1.00 0.00 C ATOM 365 OG SER A 23 -39.743 0.772 -33.799 1.00 0.00 O ATOM 0 H SER A 23 -38.311 3.610 -34.066 1.00 0.00 H new ATOM 0 HA SER A 23 -36.967 1.819 -32.226 1.00 0.00 H new ATOM 0 HB2 SER A 23 -38.270 -0.160 -32.723 1.00 0.00 H new ATOM 0 HB3 SER A 23 -39.188 1.048 -31.846 1.00 0.00 H new ATOM 0 HG SER A 23 -39.346 0.924 -34.682 1.00 0.00 H new ATOM 490 N PHE A 33 -36.040 -1.020 -29.759 1.00 0.00 N ATOM 491 CA PHE A 33 -36.743 0.232 -29.558 1.00 0.00 C ATOM 492 C PHE A 33 -35.748 1.324 -29.201 1.00 0.00 C ATOM 493 O PHE A 33 -34.845 1.136 -28.390 1.00 0.00 O ATOM 494 CB PHE A 33 -37.781 0.060 -28.438 1.00 0.00 C ATOM 495 CG PHE A 33 -38.614 -1.212 -28.512 1.00 0.00 C ATOM 496 CD1 PHE A 33 -39.239 -1.601 -29.713 1.00 0.00 C ATOM 497 CD2 PHE A 33 -38.731 -2.035 -27.375 1.00 0.00 C ATOM 498 CE1 PHE A 33 -39.970 -2.801 -29.777 1.00 0.00 C ATOM 499 CE2 PHE A 33 -39.460 -3.235 -27.437 1.00 0.00 C ATOM 500 CZ PHE A 33 -40.080 -3.619 -28.639 1.00 0.00 C ATOM 0 HA PHE A 33 -37.259 0.518 -30.475 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -37.263 0.080 -27.479 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -38.454 0.917 -28.455 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -39.156 -0.975 -30.589 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -38.257 -1.742 -26.450 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -40.447 -3.094 -30.701 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -39.544 -3.862 -26.562 1.00 0.00 H new ATOM 0 HZ PHE A 33 -40.640 -4.541 -28.688 1.00 0.00 H new ATOM 510 N VAL A 34 -35.901 2.484 -29.819 1.00 0.00 N ATOM 511 CA VAL A 34 -35.200 3.687 -29.382 1.00 0.00 C ATOM 512 C VAL A 34 -36.127 4.646 -28.652 1.00 0.00 C ATOM 513 O VAL A 34 -37.257 4.903 -29.043 1.00 0.00 O ATOM 514 CB VAL A 34 -34.353 4.274 -30.509 1.00 0.00 C ATOM 515 CG1 VAL A 34 -34.764 3.984 -31.941 1.00 0.00 C ATOM 516 CG2 VAL A 34 -33.867 5.713 -30.295 1.00 0.00 C ATOM 0 H VAL A 34 -36.506 2.621 -30.628 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.467 3.426 -28.619 1.00 0.00 H new ATOM 0 HB VAL A 34 -33.470 3.645 -30.395 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -34.067 4.468 -32.625 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -34.752 2.908 -32.112 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -35.769 4.368 -32.116 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -33.276 6.029 -31.155 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -34.726 6.374 -30.183 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -33.253 5.760 -29.396 1.00 0.00 H new ATOM 526 N MET A 35 -35.647 5.157 -27.532 1.00 0.00 N ATOM 527 CA MET A 35 -36.382 6.074 -26.676 1.00 0.00 C ATOM 528 C MET A 35 -35.607 7.372 -26.650 1.00 0.00 C ATOM 529 O MET A 35 -34.409 7.381 -26.373 1.00 0.00 O ATOM 530 CB MET A 35 -36.550 5.485 -25.273 1.00 0.00 C ATOM 531 CG MET A 35 -37.566 4.335 -25.262 1.00 0.00 C ATOM 532 SD MET A 35 -39.269 4.742 -25.753 1.00 0.00 S ATOM 533 CE MET A 35 -39.622 6.214 -24.754 1.00 0.00 C ATOM 0 H MET A 35 -34.713 4.941 -27.183 1.00 0.00 H new ATOM 0 HA MET A 35 -37.388 6.248 -27.058 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.587 5.124 -24.911 1.00 0.00 H new ATOM 0 HB3 MET A 35 -36.876 6.266 -24.586 1.00 0.00 H new ATOM 0 HG2 MET A 35 -37.199 3.551 -25.925 1.00 0.00 H new ATOM 0 HG3 MET A 35 -37.593 3.915 -24.256 1.00 0.00 H new ATOM 0 HE1 MET A 35 -40.701 6.353 -24.680 1.00 0.00 H new ATOM 0 HE2 MET A 35 -39.203 6.085 -23.756 1.00 0.00 H new ATOM 0 HE3 MET A 35 -39.175 7.089 -25.225 1.00 0.00 H new ATOM 543 N SER A 36 -36.289 8.464 -26.952 1.00 0.00 N ATOM 544 CA SER A 36 -35.664 9.772 -27.075 1.00 0.00 C ATOM 545 C SER A 36 -36.339 10.739 -26.114 1.00 0.00 C ATOM 546 O SER A 36 -37.559 10.726 -25.975 1.00 0.00 O ATOM 547 CB SER A 36 -35.649 10.258 -28.518 1.00 0.00 C ATOM 548 OG SER A 36 -34.979 9.302 -29.325 1.00 0.00 O ATOM 0 H SER A 36 -37.295 8.469 -27.120 1.00 0.00 H new ATOM 0 HA SER A 36 -34.613 9.704 -26.793 1.00 0.00 H new ATOM 0 HB2 SER A 36 -36.668 10.404 -28.876 1.00 0.00 H new ATOM 0 HB3 SER A 36 -35.147 11.223 -28.584 1.00 0.00 H new ATOM 0 HG SER A 36 -34.754 9.704 -30.190 1.00 0.00 H new ATOM 554 N VAL A 37 -35.552 11.533 -25.397 1.00 0.00 N ATOM 555 CA VAL A 37 -36.044 12.500 -24.411 1.00 0.00 C ATOM 556 C VAL A 37 -35.639 13.911 -24.783 1.00 0.00 C ATOM 557 O VAL A 37 -34.474 14.168 -25.096 1.00 0.00 O ATOM 558 CB VAL A 37 -35.647 12.221 -22.950 1.00 0.00 C ATOM 559 CG1 VAL A 37 -36.508 11.173 -22.278 1.00 0.00 C ATOM 560 CG2 VAL A 37 -34.161 11.902 -22.738 1.00 0.00 C ATOM 0 H VAL A 37 -34.536 11.526 -25.483 1.00 0.00 H new ATOM 0 HA VAL A 37 -37.127 12.386 -24.450 1.00 0.00 H new ATOM 0 HB VAL A 37 -35.835 13.177 -22.462 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -36.171 11.028 -21.252 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -37.547 11.503 -22.275 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -36.427 10.232 -22.822 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -33.975 11.720 -21.679 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -33.894 11.014 -23.311 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -33.557 12.745 -23.072 1.00 0.00 H new ATOM 570 N VAL A 38 -36.594 14.833 -24.662 1.00 0.00 N ATOM 571 CA VAL A 38 -36.273 16.266 -24.597 1.00 0.00 C ATOM 572 C VAL A 38 -36.394 16.627 -23.123 1.00 0.00 C ATOM 573 O VAL A 38 -37.416 16.342 -22.501 1.00 0.00 O ATOM 574 CB VAL A 38 -37.232 17.160 -25.409 1.00 0.00 C ATOM 575 CG1 VAL A 38 -36.805 18.634 -25.333 1.00 0.00 C ATOM 576 CG2 VAL A 38 -37.309 16.792 -26.892 1.00 0.00 C ATOM 0 H VAL A 38 -37.590 14.620 -24.607 1.00 0.00 H new ATOM 0 HA VAL A 38 -35.285 16.436 -25.024 1.00 0.00 H new ATOM 0 HB VAL A 38 -38.210 17.000 -24.956 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -37.497 19.244 -25.914 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -36.816 18.963 -24.294 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -35.799 18.743 -25.738 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -38.003 17.464 -27.398 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -36.320 16.885 -27.342 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -37.659 15.765 -26.994 1.00 0.00 H new ATOM 586 N VAL A 39 -35.322 17.191 -22.567 1.00 0.00 N ATOM 587 CA VAL A 39 -35.129 17.511 -21.143 1.00 0.00 C ATOM 588 C VAL A 39 -34.467 18.887 -21.049 1.00 0.00 C ATOM 589 O VAL A 39 -33.690 19.231 -21.938 1.00 0.00 O ATOM 590 CB VAL A 39 -34.233 16.452 -20.452 1.00 0.00 C ATOM 591 CG1 VAL A 39 -34.657 15.003 -20.733 1.00 0.00 C ATOM 592 CG2 VAL A 39 -32.773 16.528 -20.874 1.00 0.00 C ATOM 0 H VAL A 39 -34.513 17.455 -23.129 1.00 0.00 H new ATOM 0 HA VAL A 39 -36.095 17.512 -20.638 1.00 0.00 H new ATOM 0 HB VAL A 39 -34.356 16.697 -19.397 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -33.983 14.320 -20.216 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -35.675 14.846 -20.377 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -34.614 14.813 -21.805 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -32.203 15.759 -20.353 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.696 16.370 -21.950 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.372 17.510 -20.622 1.00 0.00 H new ATOM 602 N ASP A 40 -34.705 19.662 -19.987 1.00 0.00 N ATOM 603 CA ASP A 40 -34.207 21.046 -19.811 1.00 0.00 C ATOM 604 C ASP A 40 -34.588 21.997 -20.981 1.00 0.00 C ATOM 605 O ASP A 40 -35.568 22.741 -20.888 1.00 0.00 O ATOM 606 CB ASP A 40 -32.692 20.992 -19.503 1.00 0.00 C ATOM 607 CG ASP A 40 -31.982 22.345 -19.662 1.00 0.00 C ATOM 608 OD1 ASP A 40 -32.252 23.272 -18.864 1.00 0.00 O ATOM 609 OD2 ASP A 40 -31.167 22.471 -20.607 1.00 0.00 O ATOM 0 H ASP A 40 -35.266 19.342 -19.197 1.00 0.00 H new ATOM 0 HA ASP A 40 -34.712 21.500 -18.958 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -32.550 20.635 -18.483 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -32.221 20.265 -20.164 1.00 0.00 H new ATOM 614 N GLY A 41 -33.861 21.926 -22.097 1.00 0.00 N ATOM 615 CA GLY A 41 -34.159 22.515 -23.409 1.00 0.00 C ATOM 616 C GLY A 41 -33.383 21.830 -24.554 1.00 0.00 C ATOM 617 O GLY A 41 -33.162 22.437 -25.604 1.00 0.00 O ATOM 0 H GLY A 41 -32.978 21.415 -22.111 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -35.229 22.439 -23.603 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -33.913 23.577 -23.392 1.00 0.00 H new ATOM 621 N GLN A 42 -32.919 20.596 -24.325 1.00 0.00 N ATOM 622 CA GLN A 42 -32.027 19.796 -25.176 1.00 0.00 C ATOM 623 C GLN A 42 -32.497 18.337 -25.318 1.00 0.00 C ATOM 624 O GLN A 42 -33.418 17.905 -24.628 1.00 0.00 O ATOM 625 CB GLN A 42 -30.583 19.897 -24.655 1.00 0.00 C ATOM 626 CG GLN A 42 -30.385 19.702 -23.140 1.00 0.00 C ATOM 627 CD GLN A 42 -29.009 20.217 -22.727 1.00 0.00 C ATOM 628 OE1 GLN A 42 -27.975 19.717 -23.146 1.00 0.00 O ATOM 629 NE2 GLN A 42 -28.935 21.263 -21.932 1.00 0.00 N ATOM 0 H GLN A 42 -33.176 20.092 -23.476 1.00 0.00 H new ATOM 0 HA GLN A 42 -32.059 20.209 -26.184 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -29.979 19.154 -25.177 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -30.189 20.876 -24.927 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -31.162 20.234 -22.591 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -30.480 18.647 -22.885 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -29.788 21.692 -21.573 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -28.025 21.644 -21.674 1.00 0.00 H new ATOM 638 N PHE A 43 -31.877 17.575 -26.223 1.00 0.00 N ATOM 639 CA PHE A 43 -32.416 16.311 -26.736 1.00 0.00 C ATOM 640 C PHE A 43 -31.370 15.187 -26.781 1.00 0.00 C ATOM 641 O PHE A 43 -30.239 15.387 -27.235 1.00 0.00 O ATOM 642 CB PHE A 43 -32.988 16.597 -28.133 1.00 0.00 C ATOM 643 CG PHE A 43 -33.626 15.425 -28.858 1.00 0.00 C ATOM 644 CD1 PHE A 43 -34.774 14.805 -28.330 1.00 0.00 C ATOM 645 CD2 PHE A 43 -33.123 15.000 -30.103 1.00 0.00 C ATOM 646 CE1 PHE A 43 -35.439 13.800 -29.051 1.00 0.00 C ATOM 647 CE2 PHE A 43 -33.780 13.987 -30.823 1.00 0.00 C ATOM 648 CZ PHE A 43 -34.943 13.392 -30.302 1.00 0.00 C ATOM 0 H PHE A 43 -30.973 17.822 -26.626 1.00 0.00 H new ATOM 0 HA PHE A 43 -33.191 15.948 -26.061 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -33.733 17.387 -28.041 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -32.184 16.987 -28.757 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -35.147 15.105 -27.362 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -32.230 15.454 -30.506 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -36.329 13.342 -28.646 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -33.391 13.665 -31.778 1.00 0.00 H new ATOM 0 HZ PHE A 43 -35.454 12.623 -30.862 1.00 0.00 H new ATOM 658 N PHE A 44 -31.780 13.991 -26.348 1.00 0.00 N ATOM 659 CA PHE A 44 -30.972 12.762 -26.305 1.00 0.00 C ATOM 660 C PHE A 44 -31.763 11.562 -26.841 1.00 0.00 C ATOM 661 O PHE A 44 -32.980 11.492 -26.676 1.00 0.00 O ATOM 662 CB PHE A 44 -30.511 12.482 -24.863 1.00 0.00 C ATOM 663 CG PHE A 44 -29.876 13.682 -24.194 1.00 0.00 C ATOM 664 CD1 PHE A 44 -28.563 14.063 -24.529 1.00 0.00 C ATOM 665 CD2 PHE A 44 -30.638 14.478 -23.317 1.00 0.00 C ATOM 666 CE1 PHE A 44 -28.035 15.268 -24.035 1.00 0.00 C ATOM 667 CE2 PHE A 44 -30.097 15.670 -22.814 1.00 0.00 C ATOM 668 CZ PHE A 44 -28.822 16.084 -23.206 1.00 0.00 C ATOM 0 H PHE A 44 -32.728 13.843 -26.001 1.00 0.00 H new ATOM 0 HA PHE A 44 -30.099 12.909 -26.941 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -31.367 12.156 -24.272 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -29.797 11.659 -24.871 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -27.962 13.430 -25.165 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -31.634 14.172 -23.033 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -27.029 15.565 -24.292 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -30.668 16.270 -22.121 1.00 0.00 H new ATOM 0 HZ PHE A 44 -28.439 17.036 -22.870 1.00 0.00 H new ATOM 678 N GLU A 45 -31.068 10.591 -27.438 1.00 0.00 N ATOM 679 CA GLU A 45 -31.659 9.411 -28.090 1.00 0.00 C ATOM 680 C GLU A 45 -30.932 8.140 -27.626 1.00 0.00 C ATOM 681 O GLU A 45 -29.702 8.045 -27.692 1.00 0.00 O ATOM 682 CB GLU A 45 -31.620 9.554 -29.623 1.00 0.00 C ATOM 683 CG GLU A 45 -32.224 10.873 -30.135 1.00 0.00 C ATOM 684 CD GLU A 45 -32.798 10.717 -31.555 1.00 0.00 C ATOM 685 OE1 GLU A 45 -33.988 10.341 -31.687 1.00 0.00 O ATOM 686 OE2 GLU A 45 -32.067 10.974 -32.545 1.00 0.00 O ATOM 0 H GLU A 45 -30.049 10.601 -27.485 1.00 0.00 H new ATOM 0 HA GLU A 45 -32.706 9.333 -27.799 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.586 9.483 -29.960 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -32.159 8.719 -30.071 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -33.012 11.201 -29.457 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -31.459 11.649 -30.134 1.00 0.00 H new ATOM 693 N GLY A 46 -31.698 7.171 -27.122 1.00 0.00 N ATOM 694 CA GLY A 46 -31.225 5.973 -26.432 1.00 0.00 C ATOM 695 C GLY A 46 -31.706 4.700 -27.124 1.00 0.00 C ATOM 696 O GLY A 46 -32.902 4.422 -27.112 1.00 0.00 O ATOM 0 H GLY A 46 -32.715 7.204 -27.188 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -30.136 5.979 -26.396 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -31.578 5.983 -25.401 1.00 0.00 H new ATOM 700 N SER A 47 -30.801 3.916 -27.712 1.00 0.00 N ATOM 701 CA SER A 47 -31.156 2.779 -28.585 1.00 0.00 C ATOM 702 C SER A 47 -30.945 1.445 -27.864 1.00 0.00 C ATOM 703 O SER A 47 -29.826 1.107 -27.468 1.00 0.00 O ATOM 704 CB SER A 47 -30.358 2.833 -29.893 1.00 0.00 C ATOM 705 OG SER A 47 -30.628 4.042 -30.585 1.00 0.00 O ATOM 0 H SER A 47 -29.796 4.046 -27.600 1.00 0.00 H new ATOM 0 HA SER A 47 -32.215 2.857 -28.831 1.00 0.00 H new ATOM 0 HB2 SER A 47 -29.292 2.758 -29.680 1.00 0.00 H new ATOM 0 HB3 SER A 47 -30.618 1.981 -30.521 1.00 0.00 H new ATOM 0 HG SER A 47 -30.111 4.065 -31.417 1.00 0.00 H new ATOM 711 N GLY A 48 -32.056 0.751 -27.598 1.00 0.00 N ATOM 712 CA GLY A 48 -32.156 -0.376 -26.675 1.00 0.00 C ATOM 713 C GLY A 48 -32.955 -1.598 -27.160 1.00 0.00 C ATOM 714 O GLY A 48 -34.050 -1.485 -27.716 1.00 0.00 O ATOM 0 H GLY A 48 -32.948 0.972 -28.041 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -31.146 -0.705 -26.430 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.609 -0.019 -25.750 1.00 0.00 H new ATOM 718 N ARG A 49 -32.430 -2.808 -26.925 1.00 0.00 N ATOM 719 CA ARG A 49 -33.159 -4.083 -27.133 1.00 0.00 C ATOM 720 C ARG A 49 -34.511 -4.206 -26.381 1.00 0.00 C ATOM 721 O ARG A 49 -35.311 -5.083 -26.703 1.00 0.00 O ATOM 722 CB ARG A 49 -32.235 -5.283 -26.829 1.00 0.00 C ATOM 723 CG ARG A 49 -30.830 -5.265 -27.473 1.00 0.00 C ATOM 724 CD ARG A 49 -30.776 -4.931 -28.972 1.00 0.00 C ATOM 725 NE ARG A 49 -31.653 -5.797 -29.777 1.00 0.00 N ATOM 726 CZ ARG A 49 -31.401 -6.964 -30.334 1.00 0.00 C ATOM 727 NH1 ARG A 49 -30.269 -7.588 -30.176 1.00 0.00 N ATOM 728 NH2 ARG A 49 -32.309 -7.531 -31.073 1.00 0.00 N ATOM 0 H ARG A 49 -31.479 -2.939 -26.582 1.00 0.00 H new ATOM 0 HA ARG A 49 -33.439 -4.087 -28.186 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -32.112 -5.351 -25.748 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -32.743 -6.192 -27.150 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -30.217 -4.540 -26.938 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -30.372 -6.242 -27.323 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -31.065 -3.890 -29.119 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -29.750 -5.030 -29.326 1.00 0.00 H new ATOM 0 HE ARG A 49 -32.597 -5.440 -29.926 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -29.534 -7.174 -29.602 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -30.117 -8.490 -30.626 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -33.208 -7.072 -31.218 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -32.122 -8.434 -31.508 1.00 0.00 H new ATOM 742 N ASN A 50 -34.781 -3.323 -25.412 1.00 0.00 N ATOM 743 CA ASN A 50 -36.058 -3.105 -24.707 1.00 0.00 C ATOM 744 C ASN A 50 -36.122 -1.633 -24.212 1.00 0.00 C ATOM 745 O ASN A 50 -35.070 -1.001 -24.124 1.00 0.00 O ATOM 746 CB ASN A 50 -36.128 -4.101 -23.537 1.00 0.00 C ATOM 747 CG ASN A 50 -37.487 -4.132 -22.855 1.00 0.00 C ATOM 748 OD1 ASN A 50 -37.828 -3.264 -22.068 1.00 0.00 O ATOM 749 ND2 ASN A 50 -38.311 -5.110 -23.138 1.00 0.00 N ATOM 0 H ASN A 50 -34.057 -2.690 -25.071 1.00 0.00 H new ATOM 0 HA ASN A 50 -36.911 -3.271 -25.365 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -35.890 -5.099 -23.904 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -35.366 -3.842 -22.802 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -39.232 -5.143 -22.701 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -38.032 -5.838 -23.795 1.00 0.00 H new ATOM 756 N LYS A 51 -37.280 -1.088 -23.796 1.00 0.00 N ATOM 757 CA LYS A 51 -37.373 0.211 -23.076 1.00 0.00 C ATOM 758 C LYS A 51 -36.443 0.302 -21.867 1.00 0.00 C ATOM 759 O LYS A 51 -35.749 1.308 -21.759 1.00 0.00 O ATOM 760 CB LYS A 51 -38.814 0.541 -22.660 1.00 0.00 C ATOM 761 CG LYS A 51 -39.662 0.923 -23.887 1.00 0.00 C ATOM 762 CD LYS A 51 -41.156 1.023 -23.555 1.00 0.00 C ATOM 763 CE LYS A 51 -41.938 1.395 -24.823 1.00 0.00 C ATOM 764 NZ LYS A 51 -43.407 1.381 -24.595 1.00 0.00 N ATOM 0 H LYS A 51 -38.186 -1.532 -23.947 1.00 0.00 H new ATOM 0 HA LYS A 51 -37.040 0.957 -23.797 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -39.259 -0.318 -22.158 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -38.812 1.362 -21.944 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -39.315 1.878 -24.282 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -39.516 0.181 -24.672 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -41.516 0.074 -23.158 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -41.318 1.774 -22.781 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -41.633 2.386 -25.160 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -41.688 0.696 -25.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -43.897 1.638 -25.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -43.703 0.429 -24.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -43.649 2.066 -23.851 1.00 0.00 H new ATOM 778 N LYS A 52 -36.315 -0.736 -21.028 1.00 0.00 N ATOM 779 CA LYS A 52 -35.340 -0.752 -19.904 1.00 0.00 C ATOM 780 C LYS A 52 -33.864 -0.684 -20.301 1.00 0.00 C ATOM 781 O LYS A 52 -33.001 -0.566 -19.434 1.00 0.00 O ATOM 782 CB LYS A 52 -35.619 -1.887 -18.907 1.00 0.00 C ATOM 783 CG LYS A 52 -35.580 -3.338 -19.408 1.00 0.00 C ATOM 784 CD LYS A 52 -34.315 -3.836 -20.128 1.00 0.00 C ATOM 785 CE LYS A 52 -34.474 -5.272 -20.659 1.00 0.00 C ATOM 786 NZ LYS A 52 -34.577 -6.282 -19.570 1.00 0.00 N ATOM 0 H LYS A 52 -36.874 -1.586 -21.100 1.00 0.00 H new ATOM 0 HA LYS A 52 -35.517 0.196 -19.397 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -34.897 -1.799 -18.096 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -36.605 -1.713 -18.476 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -35.750 -3.989 -18.550 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -36.422 -3.477 -20.086 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -34.084 -3.167 -20.957 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -33.469 -3.796 -19.442 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.365 -5.327 -21.284 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -33.623 -5.516 -21.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -34.682 -7.230 -19.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -33.716 -6.253 -18.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -35.404 -6.070 -18.977 1.00 0.00 H new ATOM 800 N LEU A 53 -33.583 -0.735 -21.600 1.00 0.00 N ATOM 801 CA LEU A 53 -32.275 -0.484 -22.186 1.00 0.00 C ATOM 802 C LEU A 53 -32.293 0.892 -22.891 1.00 0.00 C ATOM 803 O LEU A 53 -31.453 1.743 -22.627 1.00 0.00 O ATOM 804 CB LEU A 53 -31.953 -1.661 -23.138 1.00 0.00 C ATOM 805 CG LEU A 53 -30.464 -1.965 -23.392 1.00 0.00 C ATOM 806 CD1 LEU A 53 -29.613 -0.715 -23.587 1.00 0.00 C ATOM 807 CD2 LEU A 53 -29.873 -2.780 -22.245 1.00 0.00 C ATOM 0 H LEU A 53 -34.290 -0.962 -22.299 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.486 -0.436 -21.435 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -32.419 -2.560 -22.735 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.427 -1.460 -24.099 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.439 -2.534 -24.321 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.577 -1.004 -23.761 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.982 -0.154 -24.445 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.671 -0.092 -22.694 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.821 -2.982 -22.447 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.963 -2.218 -21.315 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.413 -3.723 -22.153 1.00 0.00 H new ATOM 819 N ALA A 54 -33.281 1.139 -23.753 1.00 0.00 N ATOM 820 CA ALA A 54 -33.485 2.371 -24.517 1.00 0.00 C ATOM 821 C ALA A 54 -33.560 3.630 -23.639 1.00 0.00 C ATOM 822 O ALA A 54 -32.738 4.533 -23.756 1.00 0.00 O ATOM 823 CB ALA A 54 -34.730 2.176 -25.387 1.00 0.00 C ATOM 0 H ALA A 54 -34.002 0.444 -23.948 1.00 0.00 H new ATOM 0 HA ALA A 54 -32.615 2.551 -25.149 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -34.911 3.078 -25.971 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -34.575 1.333 -26.060 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -35.592 1.978 -24.750 1.00 0.00 H new ATOM 829 N LYS A 55 -34.522 3.681 -22.711 1.00 0.00 N ATOM 830 CA LYS A 55 -34.530 4.627 -21.588 1.00 0.00 C ATOM 831 C LYS A 55 -33.271 4.559 -20.744 1.00 0.00 C ATOM 832 O LYS A 55 -32.897 5.611 -20.283 1.00 0.00 O ATOM 833 CB LYS A 55 -35.748 4.414 -20.707 1.00 0.00 C ATOM 834 CG LYS A 55 -37.008 4.935 -21.352 1.00 0.00 C ATOM 835 CD LYS A 55 -37.550 6.224 -20.727 1.00 0.00 C ATOM 836 CE LYS A 55 -39.011 5.874 -20.493 1.00 0.00 C ATOM 837 NZ LYS A 55 -39.809 6.861 -19.723 1.00 0.00 N ATOM 0 H LYS A 55 -35.329 3.057 -22.719 1.00 0.00 H new ATOM 0 HA LYS A 55 -34.570 5.621 -22.034 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -35.861 3.351 -20.496 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -35.596 4.915 -19.751 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -36.814 5.112 -22.410 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -37.777 4.165 -21.293 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -37.037 6.474 -19.798 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -37.437 7.079 -21.394 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -39.488 5.730 -21.463 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -39.054 4.918 -19.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -40.821 6.708 -19.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -39.620 6.744 -18.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -39.546 7.824 -20.015 1.00 0.00 H new ATOM 851 N ALA A 56 -32.640 3.417 -20.452 1.00 0.00 N ATOM 852 CA ALA A 56 -31.387 3.413 -19.685 1.00 0.00 C ATOM 853 C ALA A 56 -30.318 4.298 -20.331 1.00 0.00 C ATOM 854 O ALA A 56 -29.773 5.161 -19.667 1.00 0.00 O ATOM 855 CB ALA A 56 -30.890 1.995 -19.393 1.00 0.00 C ATOM 0 H ALA A 56 -32.970 2.493 -20.731 1.00 0.00 H new ATOM 0 HA ALA A 56 -31.606 3.858 -18.714 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -29.962 2.045 -18.824 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -31.642 1.458 -18.814 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -30.712 1.471 -20.332 1.00 0.00 H new ATOM 861 N ARG A 57 -30.076 4.106 -21.631 1.00 0.00 N ATOM 862 CA ARG A 57 -29.273 4.899 -22.577 1.00 0.00 C ATOM 863 C ARG A 57 -29.696 6.367 -22.649 1.00 0.00 C ATOM 864 O ARG A 57 -28.879 7.249 -22.382 1.00 0.00 O ATOM 865 CB ARG A 57 -29.357 4.197 -23.957 1.00 0.00 C ATOM 866 CG ARG A 57 -28.857 2.740 -23.986 1.00 0.00 C ATOM 867 CD ARG A 57 -27.403 2.534 -24.415 1.00 0.00 C ATOM 868 NE ARG A 57 -26.443 3.443 -23.754 1.00 0.00 N ATOM 869 CZ ARG A 57 -26.121 3.483 -22.473 1.00 0.00 C ATOM 870 NH1 ARG A 57 -26.577 2.631 -21.602 1.00 0.00 N ATOM 871 NH2 ARG A 57 -25.358 4.425 -22.009 1.00 0.00 N ATOM 0 H ARG A 57 -30.484 3.299 -22.103 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.240 4.936 -22.230 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -30.394 4.215 -24.293 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.779 4.777 -24.677 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -28.984 2.314 -22.991 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -29.497 2.171 -24.660 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -27.116 1.504 -24.204 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -27.331 2.670 -25.494 1.00 0.00 H new ATOM 0 HE ARG A 57 -25.974 4.119 -24.357 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -27.213 1.890 -21.898 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -26.299 2.704 -20.623 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -24.999 5.146 -22.635 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.117 4.444 -21.018 1.00 0.00 H new ATOM 885 N ALA A 58 -30.956 6.633 -22.991 1.00 0.00 N ATOM 886 CA ALA A 58 -31.553 7.975 -23.037 1.00 0.00 C ATOM 887 C ALA A 58 -31.405 8.704 -21.698 1.00 0.00 C ATOM 888 O ALA A 58 -30.791 9.767 -21.626 1.00 0.00 O ATOM 889 CB ALA A 58 -33.022 7.861 -23.462 1.00 0.00 C ATOM 0 H ALA A 58 -31.614 5.899 -23.253 1.00 0.00 H new ATOM 0 HA ALA A 58 -31.019 8.575 -23.774 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -33.469 8.855 -23.497 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -33.081 7.401 -24.449 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -33.562 7.246 -22.742 1.00 0.00 H new ATOM 895 N ALA A 59 -31.906 8.076 -20.628 1.00 0.00 N ATOM 896 CA ALA A 59 -31.654 8.489 -19.248 1.00 0.00 C ATOM 897 C ALA A 59 -30.191 8.744 -18.916 1.00 0.00 C ATOM 898 O ALA A 59 -29.907 9.824 -18.442 1.00 0.00 O ATOM 899 CB ALA A 59 -32.223 7.476 -18.243 1.00 0.00 C ATOM 0 H ALA A 59 -32.506 7.255 -20.701 1.00 0.00 H new ATOM 0 HA ALA A 59 -32.171 9.445 -19.160 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -32.017 7.816 -17.228 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -33.300 7.389 -18.385 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -31.756 6.504 -18.402 1.00 0.00 H new ATOM 905 N GLN A 60 -29.271 7.807 -19.127 1.00 0.00 N ATOM 906 CA GLN A 60 -27.840 7.958 -18.839 1.00 0.00 C ATOM 907 C GLN A 60 -27.217 9.184 -19.527 1.00 0.00 C ATOM 908 O GLN A 60 -26.545 9.986 -18.872 1.00 0.00 O ATOM 909 CB GLN A 60 -27.129 6.634 -19.190 1.00 0.00 C ATOM 910 CG GLN A 60 -27.082 5.722 -17.949 1.00 0.00 C ATOM 911 CD GLN A 60 -26.351 4.397 -18.161 1.00 0.00 C ATOM 912 OE1 GLN A 60 -25.894 4.048 -19.242 1.00 0.00 O ATOM 913 NE2 GLN A 60 -26.198 3.599 -17.127 1.00 0.00 N ATOM 0 H GLN A 60 -29.503 6.893 -19.515 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.707 8.158 -17.776 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.655 6.132 -20.002 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.118 6.836 -19.543 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -26.599 6.262 -17.135 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -28.103 5.512 -17.630 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -26.570 3.868 -16.216 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -25.707 2.711 -17.236 1.00 0.00 H new ATOM 922 N SER A 61 -27.486 9.358 -20.826 1.00 0.00 N ATOM 923 CA SER A 61 -27.106 10.548 -21.605 1.00 0.00 C ATOM 924 C SER A 61 -27.626 11.848 -20.974 1.00 0.00 C ATOM 925 O SER A 61 -26.848 12.752 -20.637 1.00 0.00 O ATOM 926 CB SER A 61 -27.599 10.434 -23.056 1.00 0.00 C ATOM 927 OG SER A 61 -27.159 9.231 -23.667 1.00 0.00 O ATOM 0 H SER A 61 -27.985 8.662 -21.380 1.00 0.00 H new ATOM 0 HA SER A 61 -26.017 10.591 -21.600 1.00 0.00 H new ATOM 0 HB2 SER A 61 -28.688 10.474 -23.074 1.00 0.00 H new ATOM 0 HB3 SER A 61 -27.239 11.287 -23.631 1.00 0.00 H new ATOM 0 HG SER A 61 -27.703 8.482 -23.345 1.00 0.00 H new ATOM 933 N ALA A 62 -28.947 11.917 -20.779 1.00 0.00 N ATOM 934 CA ALA A 62 -29.631 13.025 -20.124 1.00 0.00 C ATOM 935 C ALA A 62 -29.069 13.310 -18.724 1.00 0.00 C ATOM 936 O ALA A 62 -28.626 14.427 -18.489 1.00 0.00 O ATOM 937 CB ALA A 62 -31.133 12.726 -20.109 1.00 0.00 C ATOM 0 H ALA A 62 -29.583 11.180 -21.083 1.00 0.00 H new ATOM 0 HA ALA A 62 -29.458 13.942 -20.687 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -31.662 13.545 -19.622 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -31.493 12.619 -21.132 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -31.314 11.801 -19.562 1.00 0.00 H new ATOM 943 N LEU A 63 -29.028 12.308 -17.837 1.00 0.00 N ATOM 944 CA LEU A 63 -28.534 12.350 -16.457 1.00 0.00 C ATOM 945 C LEU A 63 -27.166 13.025 -16.418 1.00 0.00 C ATOM 946 O LEU A 63 -27.020 14.073 -15.801 1.00 0.00 O ATOM 947 CB LEU A 63 -28.403 10.932 -15.841 1.00 0.00 C ATOM 948 CG LEU A 63 -29.417 10.496 -14.764 1.00 0.00 C ATOM 949 CD1 LEU A 63 -30.723 11.284 -14.715 1.00 0.00 C ATOM 950 CD2 LEU A 63 -29.748 9.015 -14.947 1.00 0.00 C ATOM 0 H LEU A 63 -29.365 11.378 -18.085 1.00 0.00 H new ATOM 0 HA LEU A 63 -29.260 12.914 -15.872 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -28.457 10.211 -16.657 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -27.406 10.850 -15.409 1.00 0.00 H new ATOM 0 HG LEU A 63 -28.917 10.701 -13.817 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -31.357 10.889 -13.921 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.507 12.334 -14.519 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.239 11.192 -15.670 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -30.465 8.706 -14.186 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -30.178 8.858 -15.936 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -28.837 8.424 -14.849 1.00 0.00 H new ATOM 962 N ALA A 64 -26.183 12.441 -17.117 1.00 0.00 N ATOM 963 CA ALA A 64 -24.825 12.972 -17.165 1.00 0.00 C ATOM 964 C ALA A 64 -24.814 14.437 -17.632 1.00 0.00 C ATOM 965 O ALA A 64 -24.208 15.287 -16.972 1.00 0.00 O ATOM 966 CB ALA A 64 -23.975 12.065 -18.063 1.00 0.00 C ATOM 0 H ALA A 64 -26.312 11.589 -17.662 1.00 0.00 H new ATOM 0 HA ALA A 64 -24.393 12.975 -16.164 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -22.956 12.450 -18.109 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -23.963 11.055 -17.653 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.400 12.045 -19.066 1.00 0.00 H new ATOM 972 N THR A 65 -25.520 14.743 -18.731 1.00 0.00 N ATOM 973 CA THR A 65 -25.700 16.122 -19.202 1.00 0.00 C ATOM 974 C THR A 65 -26.296 17.063 -18.147 1.00 0.00 C ATOM 975 O THR A 65 -25.594 17.957 -17.673 1.00 0.00 O ATOM 976 CB THR A 65 -26.491 16.187 -20.517 1.00 0.00 C ATOM 977 OG1 THR A 65 -25.870 15.378 -21.494 1.00 0.00 O ATOM 978 CG2 THR A 65 -26.531 17.628 -21.035 1.00 0.00 C ATOM 0 H THR A 65 -25.980 14.044 -19.315 1.00 0.00 H new ATOM 0 HA THR A 65 -24.692 16.488 -19.399 1.00 0.00 H new ATOM 0 HB THR A 65 -27.504 15.832 -20.327 1.00 0.00 H new ATOM 0 HG1 THR A 65 -26.105 14.439 -21.339 1.00 0.00 H new ATOM 0 HG21 THR A 65 -27.094 17.664 -21.968 1.00 0.00 H new ATOM 0 HG22 THR A 65 -27.013 18.267 -20.295 1.00 0.00 H new ATOM 0 HG23 THR A 65 -25.514 17.980 -21.211 1.00 0.00 H new ATOM 986 N VAL A 66 -27.574 16.903 -17.772 1.00 0.00 N ATOM 987 CA VAL A 66 -28.254 17.787 -16.809 1.00 0.00 C ATOM 988 C VAL A 66 -27.515 17.893 -15.469 1.00 0.00 C ATOM 989 O VAL A 66 -27.373 18.987 -14.930 1.00 0.00 O ATOM 990 CB VAL A 66 -29.767 17.515 -16.644 1.00 0.00 C ATOM 991 CG1 VAL A 66 -30.521 17.773 -17.958 1.00 0.00 C ATOM 992 CG2 VAL A 66 -30.156 16.116 -16.160 1.00 0.00 C ATOM 0 H VAL A 66 -28.168 16.155 -18.128 1.00 0.00 H new ATOM 0 HA VAL A 66 -28.205 18.775 -17.266 1.00 0.00 H new ATOM 0 HB VAL A 66 -30.053 18.211 -15.856 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -31.583 17.574 -17.813 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -30.384 18.812 -18.258 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -30.132 17.116 -18.736 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -31.241 16.046 -16.083 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -29.794 15.372 -16.869 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -29.711 15.932 -15.182 1.00 0.00 H new ATOM 1002 N PHE A 67 -26.986 16.793 -14.932 1.00 0.00 N ATOM 1003 CA PHE A 67 -26.102 16.809 -13.760 1.00 0.00 C ATOM 1004 C PHE A 67 -24.859 17.700 -13.934 1.00 0.00 C ATOM 1005 O PHE A 67 -24.542 18.463 -13.022 1.00 0.00 O ATOM 1006 CB PHE A 67 -25.791 15.390 -13.261 1.00 0.00 C ATOM 1007 CG PHE A 67 -26.972 14.526 -12.811 1.00 0.00 C ATOM 1008 CD1 PHE A 67 -28.308 14.965 -12.924 1.00 0.00 C ATOM 1009 CD2 PHE A 67 -26.728 13.234 -12.297 1.00 0.00 C ATOM 1010 CE1 PHE A 67 -29.369 14.117 -12.588 1.00 0.00 C ATOM 1011 CE2 PHE A 67 -27.799 12.403 -11.902 1.00 0.00 C ATOM 1012 CZ PHE A 67 -29.125 12.846 -12.050 1.00 0.00 C ATOM 0 H PHE A 67 -27.159 15.857 -15.299 1.00 0.00 H new ATOM 0 HA PHE A 67 -26.659 17.295 -12.959 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -25.270 14.859 -14.058 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -25.096 15.472 -12.425 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -28.514 15.966 -13.273 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -25.713 12.878 -12.205 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -30.386 14.445 -12.745 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -27.599 11.427 -11.486 1.00 0.00 H new ATOM 0 HZ PHE A 67 -29.948 12.213 -11.752 1.00 0.00 H new ATOM 1022 N ASN A 68 -24.150 17.642 -15.071 1.00 0.00 N ATOM 1023 CA ASN A 68 -23.155 18.656 -15.472 1.00 0.00 C ATOM 1024 C ASN A 68 -23.694 20.107 -15.532 1.00 0.00 C ATOM 1025 O ASN A 68 -22.961 21.034 -15.188 1.00 0.00 O ATOM 1026 CB ASN A 68 -22.462 18.222 -16.782 1.00 0.00 C ATOM 1027 CG ASN A 68 -21.038 18.741 -16.967 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -20.152 18.018 -17.402 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -20.744 19.985 -16.660 1.00 0.00 N ATOM 0 H ASN A 68 -24.250 16.884 -15.746 1.00 0.00 H new ATOM 0 HA ASN A 68 -22.413 18.696 -14.675 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.442 17.133 -16.820 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -23.067 18.560 -17.623 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.792 20.330 -16.786 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -21.467 20.605 -16.296 1.00 0.00 H new ATOM 1036 N LEU A 69 -24.946 20.330 -15.960 1.00 0.00 N ATOM 1037 CA LEU A 69 -25.617 21.648 -15.841 1.00 0.00 C ATOM 1038 C LEU A 69 -25.913 22.033 -14.375 1.00 0.00 C ATOM 1039 O LEU A 69 -26.082 23.213 -14.063 1.00 0.00 O ATOM 1040 CB LEU A 69 -26.958 21.697 -16.601 1.00 0.00 C ATOM 1041 CG LEU A 69 -26.996 21.083 -18.003 1.00 0.00 C ATOM 1042 CD1 LEU A 69 -28.421 21.169 -18.550 1.00 0.00 C ATOM 1043 CD2 LEU A 69 -26.054 21.783 -18.983 1.00 0.00 C ATOM 0 H LEU A 69 -25.524 19.612 -16.396 1.00 0.00 H new ATOM 0 HA LEU A 69 -24.910 22.353 -16.278 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -27.709 21.193 -15.992 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -27.261 22.741 -16.682 1.00 0.00 H new ATOM 0 HG LEU A 69 -26.667 20.048 -17.909 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -28.454 20.733 -19.549 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -29.097 20.622 -17.893 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -28.729 22.213 -18.599 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -26.124 21.304 -19.960 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -26.336 22.832 -19.072 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -25.030 21.712 -18.617 1.00 0.00 H new