USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 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 35 MET CE :methyl -178:sc= -0.173 (180deg=-0.196) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -137:sc= 0.0846 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 1.15 (180deg=1.13) USER MOD Single : A 19 TYR OH : rot 120:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.148 USER MOD Single : A 42 GLN : amide:sc= 1.17 K(o=1.2,f=-0.0039) USER MOD Single : A 47 SER OG : rot 180:sc= 0.241 USER MOD Single : A 50 ASN : amide:sc= 0.508 K(o=0.51,f=-3.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc=-0.00776 (180deg=-0.134) USER MOD Single : A 60 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.31) USER MOD Single : A 61 SER OG : rot 76:sc= 1.13 USER MOD Single : A 65 THR OG1 : rot 81:sc= 1.12 USER MOD Single : A 68 ASN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 6 -30.847 3.850 -14.192 1.00 0.00 N ATOM 70 CA PRO A 6 -30.811 5.218 -14.712 1.00 0.00 C ATOM 71 C PRO A 6 -32.179 5.764 -15.114 1.00 0.00 C ATOM 72 O PRO A 6 -32.471 6.927 -14.822 1.00 0.00 O ATOM 73 CB PRO A 6 -29.850 5.197 -15.910 1.00 0.00 C ATOM 74 CG PRO A 6 -29.889 3.733 -16.336 1.00 0.00 C ATOM 75 CD PRO A 6 -30.027 2.979 -15.019 1.00 0.00 C ATOM 0 HA PRO A 6 -30.474 5.893 -13.925 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -30.181 5.861 -16.708 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -28.845 5.512 -15.630 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -30.728 3.532 -17.003 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -28.982 3.446 -16.869 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -30.499 2.008 -15.164 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -29.055 2.795 -14.562 1.00 0.00 H new ATOM 83 N VAL A 7 -33.040 4.926 -15.714 1.00 0.00 N ATOM 84 CA VAL A 7 -34.430 5.312 -16.003 1.00 0.00 C ATOM 85 C VAL A 7 -35.097 5.767 -14.723 1.00 0.00 C ATOM 86 O VAL A 7 -35.679 6.836 -14.690 1.00 0.00 O ATOM 87 CB VAL A 7 -35.288 4.204 -16.649 1.00 0.00 C ATOM 88 CG1 VAL A 7 -36.741 4.633 -16.870 1.00 0.00 C ATOM 89 CG2 VAL A 7 -34.578 3.601 -17.839 1.00 0.00 C ATOM 0 H VAL A 7 -32.799 3.979 -16.008 1.00 0.00 H new ATOM 0 HA VAL A 7 -34.369 6.114 -16.739 1.00 0.00 H new ATOM 0 HB VAL A 7 -35.394 3.380 -15.943 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -37.297 3.814 -17.327 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -37.194 4.889 -15.912 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -36.768 5.501 -17.528 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -35.201 2.822 -18.278 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -34.389 4.377 -18.581 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -33.631 3.169 -17.517 1.00 0.00 H new ATOM 99 N MET A 8 -34.982 4.980 -13.662 1.00 0.00 N ATOM 100 CA MET A 8 -35.558 5.272 -12.361 1.00 0.00 C ATOM 101 C MET A 8 -35.148 6.633 -11.770 1.00 0.00 C ATOM 102 O MET A 8 -36.015 7.374 -11.325 1.00 0.00 O ATOM 103 CB MET A 8 -35.237 4.100 -11.441 1.00 0.00 C ATOM 104 CG MET A 8 -36.225 4.056 -10.281 1.00 0.00 C ATOM 105 SD MET A 8 -35.790 5.095 -8.857 1.00 0.00 S ATOM 106 CE MET A 8 -37.362 5.088 -7.958 1.00 0.00 C ATOM 0 H MET A 8 -34.471 4.097 -13.685 1.00 0.00 H new ATOM 0 HA MET A 8 -36.637 5.378 -12.474 1.00 0.00 H new ATOM 0 HB2 MET A 8 -35.281 3.166 -12.001 1.00 0.00 H new ATOM 0 HB3 MET A 8 -34.221 4.196 -11.059 1.00 0.00 H new ATOM 0 HG2 MET A 8 -37.205 4.361 -10.647 1.00 0.00 H new ATOM 0 HG3 MET A 8 -36.318 3.024 -9.943 1.00 0.00 H new ATOM 0 HE1 MET A 8 -37.265 5.685 -7.051 1.00 0.00 H new ATOM 0 HE2 MET A 8 -38.144 5.511 -8.589 1.00 0.00 H new ATOM 0 HE3 MET A 8 -37.624 4.064 -7.692 1.00 0.00 H new ATOM 116 N ILE A 9 -33.860 6.999 -11.783 1.00 0.00 N ATOM 117 CA ILE A 9 -33.400 8.363 -11.427 1.00 0.00 C ATOM 118 C ILE A 9 -34.091 9.422 -12.287 1.00 0.00 C ATOM 119 O ILE A 9 -34.678 10.366 -11.767 1.00 0.00 O ATOM 120 CB ILE A 9 -31.872 8.550 -11.588 1.00 0.00 C ATOM 121 CG1 ILE A 9 -31.049 7.389 -11.017 1.00 0.00 C ATOM 122 CG2 ILE A 9 -31.426 9.886 -10.964 1.00 0.00 C ATOM 123 CD1 ILE A 9 -29.624 7.365 -11.572 1.00 0.00 C ATOM 0 H ILE A 9 -33.103 6.365 -12.039 1.00 0.00 H new ATOM 0 HA ILE A 9 -33.661 8.487 -10.376 1.00 0.00 H new ATOM 0 HB ILE A 9 -31.676 8.563 -12.660 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -31.013 7.471 -9.931 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -31.544 6.446 -11.249 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -30.349 10.003 -11.085 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -31.939 10.709 -11.462 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -31.674 9.893 -9.903 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.079 6.526 -11.139 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -29.658 7.256 -12.656 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.118 8.296 -11.317 1.00 0.00 H new ATOM 135 N LEU A 10 -33.978 9.298 -13.609 1.00 0.00 N ATOM 136 CA LEU A 10 -34.571 10.227 -14.576 1.00 0.00 C ATOM 137 C LEU A 10 -36.080 10.405 -14.377 1.00 0.00 C ATOM 138 O LEU A 10 -36.612 11.512 -14.391 1.00 0.00 O ATOM 139 CB LEU A 10 -34.092 9.784 -15.971 1.00 0.00 C ATOM 140 CG LEU A 10 -34.952 9.709 -17.237 1.00 0.00 C ATOM 141 CD1 LEU A 10 -36.088 8.687 -17.310 1.00 0.00 C ATOM 142 CD2 LEU A 10 -35.453 11.083 -17.632 1.00 0.00 C ATOM 0 H LEU A 10 -33.462 8.535 -14.048 1.00 0.00 H new ATOM 0 HA LEU A 10 -34.229 11.251 -14.428 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -33.260 10.443 -16.219 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -33.678 8.785 -15.836 1.00 0.00 H new ATOM 0 HG LEU A 10 -34.239 9.308 -17.958 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -36.592 8.771 -18.273 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -35.681 7.682 -17.200 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -36.802 8.879 -16.509 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -36.061 11.003 -18.533 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -36.055 11.497 -16.823 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -34.604 11.739 -17.824 1.00 0.00 H new ATOM 154 N ASN A 11 -36.743 9.275 -14.156 1.00 0.00 N ATOM 155 CA ASN A 11 -38.149 9.139 -13.779 1.00 0.00 C ATOM 156 C ASN A 11 -38.491 9.913 -12.503 1.00 0.00 C ATOM 157 O ASN A 11 -39.376 10.763 -12.501 1.00 0.00 O ATOM 158 CB ASN A 11 -38.437 7.637 -13.654 1.00 0.00 C ATOM 159 CG ASN A 11 -39.727 7.279 -12.931 1.00 0.00 C ATOM 160 OD1 ASN A 11 -39.738 6.495 -11.993 1.00 0.00 O ATOM 161 ND2 ASN A 11 -40.852 7.830 -13.328 1.00 0.00 N ATOM 0 H ASN A 11 -36.283 8.368 -14.241 1.00 0.00 H new ATOM 0 HA ASN A 11 -38.789 9.581 -14.543 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -38.469 7.206 -14.655 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -37.604 7.167 -13.131 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -41.726 7.603 -12.854 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -40.851 8.485 -14.110 1.00 0.00 H new ATOM 168 N GLU A 12 -37.794 9.588 -11.422 1.00 0.00 N ATOM 169 CA GLU A 12 -37.886 10.206 -10.105 1.00 0.00 C ATOM 170 C GLU A 12 -37.667 11.726 -10.156 1.00 0.00 C ATOM 171 O GLU A 12 -38.496 12.482 -9.654 1.00 0.00 O ATOM 172 CB GLU A 12 -36.856 9.488 -9.221 1.00 0.00 C ATOM 173 CG GLU A 12 -36.601 10.120 -7.853 1.00 0.00 C ATOM 174 CD GLU A 12 -35.373 9.474 -7.205 1.00 0.00 C ATOM 175 OE1 GLU A 12 -34.236 9.942 -7.454 1.00 0.00 O ATOM 176 OE2 GLU A 12 -35.520 8.478 -6.457 1.00 0.00 O ATOM 0 H GLU A 12 -37.104 8.837 -11.443 1.00 0.00 H new ATOM 0 HA GLU A 12 -38.889 10.094 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -37.188 8.461 -9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -35.910 9.442 -9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -36.444 11.193 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -37.473 9.988 -7.213 1.00 0.00 H new ATOM 183 N LEU A 13 -36.545 12.187 -10.717 1.00 0.00 N ATOM 184 CA LEU A 13 -36.261 13.597 -11.002 1.00 0.00 C ATOM 185 C LEU A 13 -37.294 14.327 -11.881 1.00 0.00 C ATOM 186 O LEU A 13 -37.551 15.505 -11.630 1.00 0.00 O ATOM 187 CB LEU A 13 -34.817 13.781 -11.488 1.00 0.00 C ATOM 188 CG LEU A 13 -33.742 13.411 -10.436 1.00 0.00 C ATOM 189 CD1 LEU A 13 -32.483 14.197 -10.772 1.00 0.00 C ATOM 190 CD2 LEU A 13 -34.064 13.723 -8.970 1.00 0.00 C ATOM 0 H LEU A 13 -35.783 11.568 -10.995 1.00 0.00 H new ATOM 0 HA LEU A 13 -36.367 14.106 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -34.664 13.170 -12.378 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -34.675 14.820 -11.786 1.00 0.00 H new ATOM 0 HG LEU A 13 -33.655 12.326 -10.500 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -31.702 13.960 -10.049 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -32.144 13.930 -11.773 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -32.700 15.265 -10.735 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -33.229 13.415 -8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -34.230 14.794 -8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -34.962 13.183 -8.672 1.00 0.00 H new ATOM 202 N ARG A 14 -37.858 13.655 -12.904 1.00 0.00 N ATOM 203 CA ARG A 14 -38.688 14.215 -14.005 1.00 0.00 C ATOM 204 C ARG A 14 -38.455 15.715 -14.307 1.00 0.00 C ATOM 205 O ARG A 14 -39.364 16.522 -14.095 1.00 0.00 O ATOM 206 CB ARG A 14 -40.184 13.809 -13.908 1.00 0.00 C ATOM 207 CG ARG A 14 -40.880 13.727 -12.536 1.00 0.00 C ATOM 208 CD ARG A 14 -40.799 14.939 -11.594 1.00 0.00 C ATOM 209 NE ARG A 14 -40.301 14.498 -10.281 1.00 0.00 N ATOM 210 CZ ARG A 14 -40.715 14.782 -9.066 1.00 0.00 C ATOM 211 NH1 ARG A 14 -41.653 15.649 -8.815 1.00 0.00 N ATOM 212 NH2 ARG A 14 -40.160 14.154 -8.072 1.00 0.00 N ATOM 0 H ARG A 14 -37.743 12.646 -12.995 1.00 0.00 H new ATOM 0 HA ARG A 14 -38.311 13.725 -14.903 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -40.750 14.515 -14.515 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -40.284 12.831 -14.380 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -41.935 13.515 -12.712 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -40.467 12.869 -12.006 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -40.136 15.696 -12.012 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -41.782 15.399 -11.488 1.00 0.00 H new ATOM 0 HE ARG A 14 -39.501 13.866 -10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -42.106 16.147 -9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -41.935 15.831 -7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -39.428 13.466 -8.248 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -40.457 14.349 -7.116 1.00 0.00 H new ATOM 226 N PRO A 15 -37.257 16.117 -14.787 1.00 0.00 N ATOM 227 CA PRO A 15 -36.858 17.520 -14.982 1.00 0.00 C ATOM 228 C PRO A 15 -37.526 18.189 -16.209 1.00 0.00 C ATOM 229 O PRO A 15 -36.858 18.688 -17.116 1.00 0.00 O ATOM 230 CB PRO A 15 -35.324 17.483 -15.043 1.00 0.00 C ATOM 231 CG PRO A 15 -35.050 16.143 -15.718 1.00 0.00 C ATOM 232 CD PRO A 15 -36.133 15.244 -15.122 1.00 0.00 C ATOM 0 HA PRO A 15 -37.204 18.156 -14.167 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -34.921 18.317 -15.618 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -34.877 17.536 -14.050 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -35.131 16.211 -16.803 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -34.049 15.774 -15.496 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -36.436 14.477 -15.835 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -35.765 14.728 -14.235 1.00 0.00 H new ATOM 240 N GLY A 16 -38.863 18.177 -16.258 1.00 0.00 N ATOM 241 CA GLY A 16 -39.692 18.868 -17.253 1.00 0.00 C ATOM 242 C GLY A 16 -39.513 18.396 -18.702 1.00 0.00 C ATOM 243 O GLY A 16 -39.753 19.176 -19.627 1.00 0.00 O ATOM 0 H GLY A 16 -39.421 17.663 -15.576 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -40.739 18.746 -16.976 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -39.472 19.935 -17.207 1.00 0.00 H new ATOM 247 N LEU A 17 -39.058 17.156 -18.918 1.00 0.00 N ATOM 248 CA LEU A 17 -38.697 16.635 -20.233 1.00 0.00 C ATOM 249 C LEU A 17 -39.869 15.954 -20.950 1.00 0.00 C ATOM 250 O LEU A 17 -40.934 15.732 -20.364 1.00 0.00 O ATOM 251 CB LEU A 17 -37.465 15.742 -20.059 1.00 0.00 C ATOM 252 CG LEU A 17 -37.512 14.640 -18.993 1.00 0.00 C ATOM 253 CD1 LEU A 17 -38.423 13.466 -19.342 1.00 0.00 C ATOM 254 CD2 LEU A 17 -36.089 14.130 -18.836 1.00 0.00 C ATOM 0 H LEU A 17 -38.930 16.478 -18.167 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.443 17.456 -20.903 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -37.259 15.268 -21.019 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -36.616 16.387 -19.834 1.00 0.00 H new ATOM 0 HG LEU A 17 -37.924 15.070 -18.080 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -38.397 12.733 -18.535 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -39.444 13.824 -19.474 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -38.079 13.001 -20.266 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -36.066 13.340 -18.085 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -35.737 13.735 -19.789 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -35.442 14.949 -18.521 1.00 0.00 H new ATOM 266 N LYS A 18 -39.647 15.578 -22.212 1.00 0.00 N ATOM 267 CA LYS A 18 -40.561 14.727 -22.984 1.00 0.00 C ATOM 268 C LYS A 18 -39.807 13.617 -23.698 1.00 0.00 C ATOM 269 O LYS A 18 -38.796 13.876 -24.352 1.00 0.00 O ATOM 270 CB LYS A 18 -41.420 15.543 -23.968 1.00 0.00 C ATOM 271 CG LYS A 18 -40.638 16.375 -25.007 1.00 0.00 C ATOM 272 CD LYS A 18 -41.564 17.154 -25.957 1.00 0.00 C ATOM 273 CE LYS A 18 -42.400 16.256 -26.882 1.00 0.00 C ATOM 274 NZ LYS A 18 -41.569 15.612 -27.925 1.00 0.00 N ATOM 0 H LYS A 18 -38.817 15.859 -22.735 1.00 0.00 H new ATOM 0 HA LYS A 18 -41.245 14.264 -22.273 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -42.080 14.858 -24.500 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -42.056 16.217 -23.394 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -39.983 17.075 -24.488 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -39.998 15.713 -25.591 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -42.236 17.776 -25.366 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -40.961 17.827 -26.567 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -42.898 15.489 -26.290 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -43.181 16.850 -27.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -42.182 15.097 -28.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -41.034 16.340 -28.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -40.906 14.947 -27.479 1.00 0.00 H new ATOM 288 N TYR A 19 -40.364 12.411 -23.607 1.00 0.00 N ATOM 289 CA TYR A 19 -39.889 11.205 -24.273 1.00 0.00 C ATOM 290 C TYR A 19 -40.794 10.876 -25.461 1.00 0.00 C ATOM 291 O TYR A 19 -42.024 10.880 -25.370 1.00 0.00 O ATOM 292 CB TYR A 19 -39.917 9.997 -23.324 1.00 0.00 C ATOM 293 CG TYR A 19 -38.654 9.766 -22.527 1.00 0.00 C ATOM 294 CD1 TYR A 19 -37.513 9.199 -23.128 1.00 0.00 C ATOM 295 CD2 TYR A 19 -38.587 10.200 -21.195 1.00 0.00 C ATOM 296 CE1 TYR A 19 -36.345 8.999 -22.383 1.00 0.00 C ATOM 297 CE2 TYR A 19 -37.390 10.106 -20.475 1.00 0.00 C ATOM 298 CZ TYR A 19 -36.265 9.471 -21.066 1.00 0.00 C ATOM 299 OH TYR A 19 -35.068 9.343 -20.444 1.00 0.00 O ATOM 0 H TYR A 19 -41.196 12.243 -23.041 1.00 0.00 H new ATOM 0 HA TYR A 19 -38.866 11.395 -24.598 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -40.747 10.123 -22.628 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -40.125 9.102 -23.910 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -37.540 8.917 -24.170 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -39.466 10.610 -20.721 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -35.506 8.481 -22.823 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -37.322 10.513 -19.477 1.00 0.00 H new ATOM 0 HH TYR A 19 -34.737 10.229 -20.187 1.00 0.00 H new ATOM 309 N ASP A 20 -40.145 10.544 -26.563 1.00 0.00 N ATOM 310 CA ASP A 20 -40.734 10.161 -27.845 1.00 0.00 C ATOM 311 C ASP A 20 -40.220 8.774 -28.260 1.00 0.00 C ATOM 312 O ASP A 20 -39.039 8.458 -28.099 1.00 0.00 O ATOM 313 CB ASP A 20 -40.432 11.216 -28.912 1.00 0.00 C ATOM 314 CG ASP A 20 -40.888 12.617 -28.498 1.00 0.00 C ATOM 315 OD1 ASP A 20 -40.147 13.324 -27.773 1.00 0.00 O ATOM 316 OD2 ASP A 20 -41.991 13.047 -28.916 1.00 0.00 O ATOM 0 H ASP A 20 -39.126 10.532 -26.594 1.00 0.00 H new ATOM 0 HA ASP A 20 -41.818 10.105 -27.740 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -39.360 11.230 -29.111 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -40.925 10.937 -29.843 1.00 0.00 H new ATOM 321 N PHE A 21 -41.124 7.913 -28.732 1.00 0.00 N ATOM 322 CA PHE A 21 -40.871 6.484 -28.943 1.00 0.00 C ATOM 323 C PHE A 21 -40.692 6.148 -30.428 1.00 0.00 C ATOM 324 O PHE A 21 -41.471 6.543 -31.301 1.00 0.00 O ATOM 325 CB PHE A 21 -42.015 5.689 -28.296 1.00 0.00 C ATOM 326 CG PHE A 21 -42.067 4.216 -28.662 1.00 0.00 C ATOM 327 CD1 PHE A 21 -40.925 3.403 -28.531 1.00 0.00 C ATOM 328 CD2 PHE A 21 -43.257 3.664 -29.175 1.00 0.00 C ATOM 329 CE1 PHE A 21 -40.967 2.060 -28.940 1.00 0.00 C ATOM 330 CE2 PHE A 21 -43.303 2.313 -29.565 1.00 0.00 C ATOM 331 CZ PHE A 21 -42.154 1.511 -29.455 1.00 0.00 C ATOM 0 H PHE A 21 -42.072 8.194 -28.984 1.00 0.00 H new ATOM 0 HA PHE A 21 -39.930 6.205 -28.469 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -41.928 5.775 -27.213 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -42.961 6.151 -28.578 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -40.016 3.812 -28.116 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -44.138 4.281 -29.269 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -40.082 1.446 -28.858 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -44.221 1.892 -29.949 1.00 0.00 H new ATOM 0 HZ PHE A 21 -42.183 0.477 -29.765 1.00 0.00 H new ATOM 341 N LEU A 22 -39.606 5.421 -30.678 1.00 0.00 N ATOM 342 CA LEU A 22 -39.011 5.054 -31.949 1.00 0.00 C ATOM 343 C LEU A 22 -38.644 3.558 -31.900 1.00 0.00 C ATOM 344 O LEU A 22 -38.491 2.940 -30.847 1.00 0.00 O ATOM 345 CB LEU A 22 -37.750 5.895 -32.255 1.00 0.00 C ATOM 346 CG LEU A 22 -37.870 7.425 -32.401 1.00 0.00 C ATOM 347 CD1 LEU A 22 -37.951 8.166 -31.074 1.00 0.00 C ATOM 348 CD2 LEU A 22 -36.638 7.960 -33.134 1.00 0.00 C ATOM 0 H LEU A 22 -39.066 5.034 -29.904 1.00 0.00 H new ATOM 0 HA LEU A 22 -39.731 5.249 -32.744 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -37.028 5.699 -31.463 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -37.320 5.512 -33.180 1.00 0.00 H new ATOM 0 HG LEU A 22 -38.798 7.599 -32.946 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -38.034 9.237 -31.260 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -38.826 7.825 -30.520 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -37.052 7.967 -30.491 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -36.719 9.042 -33.240 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -35.741 7.717 -32.564 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -36.575 7.503 -34.122 1.00 0.00 H new ATOM 360 N SER A 23 -38.533 2.951 -33.066 1.00 0.00 N ATOM 361 CA SER A 23 -38.052 1.582 -33.270 1.00 0.00 C ATOM 362 C SER A 23 -36.898 1.532 -34.279 1.00 0.00 C ATOM 363 O SER A 23 -36.931 2.207 -35.308 1.00 0.00 O ATOM 364 CB SER A 23 -39.216 0.700 -33.732 1.00 0.00 C ATOM 365 OG SER A 23 -39.758 1.153 -34.967 1.00 0.00 O ATOM 0 H SER A 23 -38.785 3.412 -33.940 1.00 0.00 H new ATOM 0 HA SER A 23 -37.664 1.206 -32.323 1.00 0.00 H new ATOM 0 HB2 SER A 23 -38.873 -0.329 -33.840 1.00 0.00 H new ATOM 0 HB3 SER A 23 -39.996 0.698 -32.971 1.00 0.00 H new ATOM 0 HG SER A 23 -40.497 0.568 -35.234 1.00 0.00 H new ATOM 490 N PHE A 33 -35.347 -0.927 -29.601 1.00 0.00 N ATOM 491 CA PHE A 33 -36.407 0.050 -29.446 1.00 0.00 C ATOM 492 C PHE A 33 -35.684 1.312 -29.013 1.00 0.00 C ATOM 493 O PHE A 33 -34.724 1.277 -28.249 1.00 0.00 O ATOM 494 CB PHE A 33 -37.413 -0.333 -28.355 1.00 0.00 C ATOM 495 CG PHE A 33 -38.133 -1.662 -28.503 1.00 0.00 C ATOM 496 CD1 PHE A 33 -37.420 -2.876 -28.535 1.00 0.00 C ATOM 497 CD2 PHE A 33 -39.539 -1.693 -28.541 1.00 0.00 C ATOM 498 CE1 PHE A 33 -38.094 -4.096 -28.682 1.00 0.00 C ATOM 499 CE2 PHE A 33 -40.219 -2.917 -28.650 1.00 0.00 C ATOM 500 CZ PHE A 33 -39.498 -4.122 -28.744 1.00 0.00 C ATOM 0 HA PHE A 33 -36.979 0.146 -30.369 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -36.888 -0.339 -27.400 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -38.166 0.453 -28.300 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -36.344 -2.867 -28.445 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -40.098 -0.771 -28.486 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -37.534 -5.017 -28.748 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -41.299 -2.934 -28.662 1.00 0.00 H new ATOM 0 HZ PHE A 33 -40.020 -5.060 -28.863 1.00 0.00 H new ATOM 510 N VAL A 34 -36.056 2.425 -29.610 1.00 0.00 N ATOM 511 CA VAL A 34 -35.313 3.666 -29.501 1.00 0.00 C ATOM 512 C VAL A 34 -36.171 4.695 -28.776 1.00 0.00 C ATOM 513 O VAL A 34 -37.340 4.908 -29.088 1.00 0.00 O ATOM 514 CB VAL A 34 -34.836 4.070 -30.900 1.00 0.00 C ATOM 515 CG1 VAL A 34 -34.243 5.462 -30.931 1.00 0.00 C ATOM 516 CG2 VAL A 34 -33.713 3.151 -31.369 1.00 0.00 C ATOM 0 H VAL A 34 -36.891 2.496 -30.191 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.411 3.567 -28.897 1.00 0.00 H new ATOM 0 HB VAL A 34 -35.721 4.012 -31.534 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -33.921 5.698 -31.945 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -34.994 6.185 -30.611 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -33.386 5.508 -30.259 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -33.387 3.453 -32.364 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -32.874 3.219 -30.676 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -34.074 2.123 -31.402 1.00 0.00 H new ATOM 526 N MET A 35 -35.584 5.327 -27.771 1.00 0.00 N ATOM 527 CA MET A 35 -36.228 6.386 -26.998 1.00 0.00 C ATOM 528 C MET A 35 -35.466 7.687 -27.174 1.00 0.00 C ATOM 529 O MET A 35 -34.294 7.796 -26.813 1.00 0.00 O ATOM 530 CB MET A 35 -36.310 6.001 -25.512 1.00 0.00 C ATOM 531 CG MET A 35 -37.297 4.863 -25.219 1.00 0.00 C ATOM 532 SD MET A 35 -39.025 5.084 -25.743 1.00 0.00 S ATOM 533 CE MET A 35 -39.360 6.796 -25.255 1.00 0.00 C ATOM 0 H MET A 35 -34.634 5.118 -27.463 1.00 0.00 H new ATOM 0 HA MET A 35 -37.245 6.521 -27.366 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.319 5.707 -25.168 1.00 0.00 H new ATOM 0 HB3 MET A 35 -36.601 6.879 -24.935 1.00 0.00 H new ATOM 0 HG2 MET A 35 -36.916 3.959 -25.693 1.00 0.00 H new ATOM 0 HG3 MET A 35 -37.293 4.685 -24.144 1.00 0.00 H new ATOM 0 HE1 MET A 35 -40.395 7.045 -25.488 1.00 0.00 H new ATOM 0 HE2 MET A 35 -39.192 6.909 -24.184 1.00 0.00 H new ATOM 0 HE3 MET A 35 -38.695 7.466 -25.799 1.00 0.00 H new ATOM 543 N SER A 36 -36.164 8.681 -27.707 1.00 0.00 N ATOM 544 CA SER A 36 -35.660 10.027 -27.926 1.00 0.00 C ATOM 545 C SER A 36 -36.240 10.981 -26.890 1.00 0.00 C ATOM 546 O SER A 36 -37.378 10.818 -26.458 1.00 0.00 O ATOM 547 CB SER A 36 -35.861 10.472 -29.372 1.00 0.00 C ATOM 548 OG SER A 36 -36.967 11.325 -29.578 1.00 0.00 O ATOM 0 H SER A 36 -37.131 8.566 -28.009 1.00 0.00 H new ATOM 0 HA SER A 36 -34.580 10.037 -27.779 1.00 0.00 H new ATOM 0 HB2 SER A 36 -34.959 10.981 -29.710 1.00 0.00 H new ATOM 0 HB3 SER A 36 -35.980 9.587 -29.997 1.00 0.00 H new ATOM 0 HG SER A 36 -37.024 11.564 -30.527 1.00 0.00 H new ATOM 554 N VAL A 37 -35.423 11.883 -26.358 1.00 0.00 N ATOM 555 CA VAL A 37 -35.839 12.836 -25.314 1.00 0.00 C ATOM 556 C VAL A 37 -35.385 14.247 -25.625 1.00 0.00 C ATOM 557 O VAL A 37 -34.220 14.451 -25.971 1.00 0.00 O ATOM 558 CB VAL A 37 -35.392 12.507 -23.876 1.00 0.00 C ATOM 559 CG1 VAL A 37 -36.523 12.426 -22.868 1.00 0.00 C ATOM 560 CG2 VAL A 37 -34.359 11.406 -23.716 1.00 0.00 C ATOM 0 H VAL A 37 -34.446 11.981 -26.635 1.00 0.00 H new ATOM 0 HA VAL A 37 -36.925 12.747 -25.338 1.00 0.00 H new ATOM 0 HB VAL A 37 -34.829 13.404 -23.617 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -36.117 12.191 -21.884 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -37.043 13.383 -22.827 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -37.223 11.646 -23.168 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -34.130 11.272 -22.659 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -34.754 10.475 -24.122 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -33.450 11.679 -24.252 1.00 0.00 H new ATOM 570 N VAL A 38 -36.291 15.206 -25.424 1.00 0.00 N ATOM 571 CA VAL A 38 -35.915 16.620 -25.280 1.00 0.00 C ATOM 572 C VAL A 38 -36.017 16.988 -23.800 1.00 0.00 C ATOM 573 O VAL A 38 -37.049 16.762 -23.161 1.00 0.00 O ATOM 574 CB VAL A 38 -36.805 17.562 -26.115 1.00 0.00 C ATOM 575 CG1 VAL A 38 -36.384 19.029 -25.929 1.00 0.00 C ATOM 576 CG2 VAL A 38 -36.719 17.251 -27.614 1.00 0.00 C ATOM 0 H VAL A 38 -37.294 15.032 -25.357 1.00 0.00 H new ATOM 0 HA VAL A 38 -34.898 16.744 -25.652 1.00 0.00 H new ATOM 0 HB VAL A 38 -37.824 17.404 -25.761 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -37.028 19.671 -26.529 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -36.476 19.303 -24.878 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -35.349 19.154 -26.248 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -37.361 17.938 -28.165 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -35.689 17.367 -27.951 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -37.046 16.226 -27.792 1.00 0.00 H new ATOM 586 N VAL A 39 -34.931 17.548 -23.261 1.00 0.00 N ATOM 587 CA VAL A 39 -34.793 17.997 -21.863 1.00 0.00 C ATOM 588 C VAL A 39 -33.972 19.293 -21.839 1.00 0.00 C ATOM 589 O VAL A 39 -33.021 19.415 -22.605 1.00 0.00 O ATOM 590 CB VAL A 39 -34.148 16.887 -20.991 1.00 0.00 C ATOM 591 CG1 VAL A 39 -32.783 16.423 -21.484 1.00 0.00 C ATOM 592 CG2 VAL A 39 -33.998 17.347 -19.532 1.00 0.00 C ATOM 0 H VAL A 39 -34.084 17.710 -23.806 1.00 0.00 H new ATOM 0 HA VAL A 39 -35.776 18.198 -21.438 1.00 0.00 H new ATOM 0 HB VAL A 39 -34.834 16.044 -21.067 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -32.401 15.647 -20.821 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -32.877 16.023 -22.494 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -32.093 17.267 -21.491 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -33.543 16.550 -18.944 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -33.364 18.233 -19.493 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -34.980 17.585 -19.123 1.00 0.00 H new ATOM 602 N ASP A 40 -34.315 20.255 -20.971 1.00 0.00 N ATOM 603 CA ASP A 40 -33.730 21.614 -20.894 1.00 0.00 C ATOM 604 C ASP A 40 -33.829 22.411 -22.220 1.00 0.00 C ATOM 605 O ASP A 40 -34.730 23.231 -22.404 1.00 0.00 O ATOM 606 CB ASP A 40 -32.293 21.517 -20.332 1.00 0.00 C ATOM 607 CG ASP A 40 -31.490 22.819 -20.479 1.00 0.00 C ATOM 608 OD1 ASP A 40 -31.775 23.794 -19.746 1.00 0.00 O ATOM 609 OD2 ASP A 40 -30.587 22.861 -21.348 1.00 0.00 O ATOM 0 H ASP A 40 -35.040 20.107 -20.269 1.00 0.00 H new ATOM 0 HA ASP A 40 -34.329 22.207 -20.202 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -32.341 21.246 -19.277 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -31.764 20.713 -20.844 1.00 0.00 H new ATOM 614 N GLY A 41 -32.924 22.126 -23.152 1.00 0.00 N ATOM 615 CA GLY A 41 -32.821 22.631 -24.524 1.00 0.00 C ATOM 616 C GLY A 41 -31.920 21.715 -25.366 1.00 0.00 C ATOM 617 O GLY A 41 -31.291 22.154 -26.331 1.00 0.00 O ATOM 0 H GLY A 41 -32.169 21.471 -22.948 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -33.813 22.688 -24.973 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -32.416 23.643 -24.516 1.00 0.00 H new ATOM 621 N GLN A 42 -31.826 20.447 -24.952 1.00 0.00 N ATOM 622 CA GLN A 42 -30.907 19.411 -25.417 1.00 0.00 C ATOM 623 C GLN A 42 -31.718 18.194 -25.882 1.00 0.00 C ATOM 624 O GLN A 42 -32.847 17.978 -25.428 1.00 0.00 O ATOM 625 CB GLN A 42 -29.956 18.974 -24.278 1.00 0.00 C ATOM 626 CG GLN A 42 -29.423 20.076 -23.345 1.00 0.00 C ATOM 627 CD GLN A 42 -28.754 21.244 -24.068 1.00 0.00 C ATOM 628 OE1 GLN A 42 -28.032 21.087 -25.046 1.00 0.00 O ATOM 629 NE2 GLN A 42 -28.967 22.461 -23.616 1.00 0.00 N ATOM 0 H GLN A 42 -32.444 20.093 -24.222 1.00 0.00 H new ATOM 0 HA GLN A 42 -30.314 19.812 -26.239 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -30.477 18.237 -23.667 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -29.101 18.469 -24.727 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -30.249 20.460 -22.747 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -28.706 19.634 -22.653 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -29.566 22.606 -22.803 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -28.533 23.260 -24.079 1.00 0.00 H new ATOM 638 N PHE A 43 -31.126 17.377 -26.753 1.00 0.00 N ATOM 639 CA PHE A 43 -31.783 16.226 -27.369 1.00 0.00 C ATOM 640 C PHE A 43 -30.881 14.988 -27.344 1.00 0.00 C ATOM 641 O PHE A 43 -29.687 15.076 -27.648 1.00 0.00 O ATOM 642 CB PHE A 43 -32.186 16.587 -28.804 1.00 0.00 C ATOM 643 CG PHE A 43 -32.805 15.434 -29.572 1.00 0.00 C ATOM 644 CD1 PHE A 43 -34.089 14.973 -29.229 1.00 0.00 C ATOM 645 CD2 PHE A 43 -32.089 14.798 -30.606 1.00 0.00 C ATOM 646 CE1 PHE A 43 -34.665 13.900 -29.927 1.00 0.00 C ATOM 647 CE2 PHE A 43 -32.664 13.720 -31.302 1.00 0.00 C ATOM 648 CZ PHE A 43 -33.955 13.277 -30.967 1.00 0.00 C ATOM 0 H PHE A 43 -30.159 17.499 -27.055 1.00 0.00 H new ATOM 0 HA PHE A 43 -32.676 15.979 -26.796 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -32.894 17.415 -28.776 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -31.306 16.939 -29.342 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -34.634 15.446 -28.426 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -31.097 15.139 -30.864 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -35.654 13.553 -29.665 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -32.114 13.233 -32.093 1.00 0.00 H new ATOM 0 HZ PHE A 43 -34.402 12.457 -31.510 1.00 0.00 H new ATOM 658 N PHE A 44 -31.464 13.834 -27.010 1.00 0.00 N ATOM 659 CA PHE A 44 -30.763 12.546 -26.940 1.00 0.00 C ATOM 660 C PHE A 44 -31.566 11.427 -27.606 1.00 0.00 C ATOM 661 O PHE A 44 -32.789 11.501 -27.724 1.00 0.00 O ATOM 662 CB PHE A 44 -30.445 12.176 -25.477 1.00 0.00 C ATOM 663 CG PHE A 44 -29.818 13.299 -24.679 1.00 0.00 C ATOM 664 CD1 PHE A 44 -28.422 13.488 -24.687 1.00 0.00 C ATOM 665 CD2 PHE A 44 -30.648 14.210 -24.000 1.00 0.00 C ATOM 666 CE1 PHE A 44 -27.862 14.601 -24.036 1.00 0.00 C ATOM 667 CE2 PHE A 44 -30.083 15.325 -23.365 1.00 0.00 C ATOM 668 CZ PHE A 44 -28.699 15.524 -23.386 1.00 0.00 C ATOM 0 H PHE A 44 -32.454 13.766 -26.776 1.00 0.00 H new ATOM 0 HA PHE A 44 -29.827 12.657 -27.487 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -31.366 11.864 -24.984 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -29.772 11.318 -25.468 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -27.783 12.779 -25.192 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -31.716 14.051 -23.968 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -26.792 14.746 -24.035 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -30.720 16.034 -22.857 1.00 0.00 H new ATOM 0 HZ PHE A 44 -28.272 16.390 -22.901 1.00 0.00 H new ATOM 678 N GLU A 45 -30.860 10.357 -27.967 1.00 0.00 N ATOM 679 CA GLU A 45 -31.387 9.100 -28.503 1.00 0.00 C ATOM 680 C GLU A 45 -30.757 7.943 -27.727 1.00 0.00 C ATOM 681 O GLU A 45 -29.533 7.869 -27.579 1.00 0.00 O ATOM 682 CB GLU A 45 -31.033 8.961 -29.995 1.00 0.00 C ATOM 683 CG GLU A 45 -31.846 9.885 -30.911 1.00 0.00 C ATOM 684 CD GLU A 45 -33.286 9.399 -31.151 1.00 0.00 C ATOM 685 OE1 GLU A 45 -33.758 8.491 -30.430 1.00 0.00 O ATOM 686 OE2 GLU A 45 -33.940 9.930 -32.081 1.00 0.00 O ATOM 0 H GLU A 45 -29.843 10.342 -27.889 1.00 0.00 H new ATOM 0 HA GLU A 45 -32.472 9.088 -28.400 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -29.972 9.173 -30.129 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.193 7.927 -30.302 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -31.876 10.883 -30.473 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -31.336 9.973 -31.870 1.00 0.00 H new ATOM 693 N GLY A 46 -31.596 7.037 -27.237 1.00 0.00 N ATOM 694 CA GLY A 46 -31.199 5.865 -26.470 1.00 0.00 C ATOM 695 C GLY A 46 -31.765 4.608 -27.100 1.00 0.00 C ATOM 696 O GLY A 46 -32.978 4.441 -27.182 1.00 0.00 O ATOM 0 H GLY A 46 -32.605 7.102 -27.368 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -30.112 5.801 -26.428 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -31.553 5.957 -25.443 1.00 0.00 H new ATOM 700 N SER A 47 -30.886 3.719 -27.538 1.00 0.00 N ATOM 701 CA SER A 47 -31.232 2.514 -28.285 1.00 0.00 C ATOM 702 C SER A 47 -31.118 1.304 -27.373 1.00 0.00 C ATOM 703 O SER A 47 -30.079 1.067 -26.772 1.00 0.00 O ATOM 704 CB SER A 47 -30.300 2.400 -29.490 1.00 0.00 C ATOM 705 OG SER A 47 -28.926 2.593 -29.168 1.00 0.00 O ATOM 0 H SER A 47 -29.883 3.817 -27.380 1.00 0.00 H new ATOM 0 HA SER A 47 -32.260 2.564 -28.645 1.00 0.00 H new ATOM 0 HB2 SER A 47 -30.424 1.416 -29.943 1.00 0.00 H new ATOM 0 HB3 SER A 47 -30.596 3.135 -30.239 1.00 0.00 H new ATOM 0 HG SER A 47 -28.384 2.506 -29.980 1.00 0.00 H new ATOM 711 N GLY A 48 -32.224 0.621 -27.117 1.00 0.00 N ATOM 712 CA GLY A 48 -32.244 -0.550 -26.254 1.00 0.00 C ATOM 713 C GLY A 48 -33.167 -1.668 -26.690 1.00 0.00 C ATOM 714 O GLY A 48 -34.321 -1.423 -27.032 1.00 0.00 O ATOM 0 H GLY A 48 -33.136 0.865 -27.504 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -31.231 -0.946 -26.185 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.532 -0.235 -25.251 1.00 0.00 H new ATOM 718 N ARG A 49 -32.683 -2.908 -26.625 1.00 0.00 N ATOM 719 CA ARG A 49 -33.457 -4.149 -26.803 1.00 0.00 C ATOM 720 C ARG A 49 -34.866 -4.185 -26.156 1.00 0.00 C ATOM 721 O ARG A 49 -35.725 -4.912 -26.648 1.00 0.00 O ATOM 722 CB ARG A 49 -32.565 -5.336 -26.396 1.00 0.00 C ATOM 723 CG ARG A 49 -32.964 -6.659 -27.069 1.00 0.00 C ATOM 724 CD ARG A 49 -31.976 -7.767 -26.684 1.00 0.00 C ATOM 725 NE ARG A 49 -32.230 -9.013 -27.438 1.00 0.00 N ATOM 726 CZ ARG A 49 -31.473 -9.559 -28.375 1.00 0.00 C ATOM 727 NH1 ARG A 49 -30.380 -8.998 -28.812 1.00 0.00 N ATOM 728 NH2 ARG A 49 -31.807 -10.702 -28.901 1.00 0.00 N ATOM 0 H ARG A 49 -31.697 -3.089 -26.439 1.00 0.00 H new ATOM 0 HA ARG A 49 -33.715 -4.212 -27.860 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -31.530 -5.106 -26.649 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -32.609 -5.460 -25.314 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -33.973 -6.940 -26.766 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -32.979 -6.535 -28.152 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -30.957 -7.428 -26.874 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -32.052 -7.967 -25.615 1.00 0.00 H new ATOM 0 HE ARG A 49 -33.091 -9.510 -27.209 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -30.079 -8.102 -28.429 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -29.827 -9.455 -29.537 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -32.654 -11.178 -28.591 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -31.222 -11.121 -29.624 1.00 0.00 H new ATOM 742 N ASN A 50 -35.137 -3.365 -25.129 1.00 0.00 N ATOM 743 CA ASN A 50 -36.466 -2.774 -24.857 1.00 0.00 C ATOM 744 C ASN A 50 -36.336 -1.436 -24.081 1.00 0.00 C ATOM 745 O ASN A 50 -35.217 -1.031 -23.772 1.00 0.00 O ATOM 746 CB ASN A 50 -37.368 -3.794 -24.129 1.00 0.00 C ATOM 747 CG ASN A 50 -38.832 -3.560 -24.462 1.00 0.00 C ATOM 748 OD1 ASN A 50 -39.497 -2.709 -23.890 1.00 0.00 O ATOM 749 ND2 ASN A 50 -39.361 -4.255 -25.438 1.00 0.00 N ATOM 0 H ASN A 50 -34.429 -3.086 -24.449 1.00 0.00 H new ATOM 0 HA ASN A 50 -36.945 -2.535 -25.806 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -37.083 -4.806 -24.416 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -37.219 -3.714 -23.052 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -40.327 -4.086 -25.720 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -38.807 -4.966 -25.916 1.00 0.00 H new ATOM 756 N LYS A 51 -37.438 -0.763 -23.703 1.00 0.00 N ATOM 757 CA LYS A 51 -37.482 0.496 -22.906 1.00 0.00 C ATOM 758 C LYS A 51 -36.636 0.479 -21.634 1.00 0.00 C ATOM 759 O LYS A 51 -35.966 1.472 -21.365 1.00 0.00 O ATOM 760 CB LYS A 51 -38.935 0.851 -22.560 1.00 0.00 C ATOM 761 CG LYS A 51 -39.652 1.475 -23.773 1.00 0.00 C ATOM 762 CD LYS A 51 -41.182 1.401 -23.668 1.00 0.00 C ATOM 763 CE LYS A 51 -41.682 -0.039 -23.875 1.00 0.00 C ATOM 764 NZ LYS A 51 -43.165 -0.122 -23.821 1.00 0.00 N ATOM 0 H LYS A 51 -38.371 -1.090 -23.952 1.00 0.00 H new ATOM 0 HA LYS A 51 -37.038 1.259 -23.545 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -39.466 -0.045 -22.240 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -38.954 1.549 -21.723 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -39.350 2.518 -23.870 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -39.330 0.964 -24.681 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -41.500 1.763 -22.690 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -41.633 2.057 -24.413 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -41.332 -0.410 -24.838 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -41.254 -0.686 -23.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -43.463 -1.108 -23.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -43.498 0.208 -22.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -43.574 0.475 -24.568 1.00 0.00 H new ATOM 778 N LYS A 52 -36.567 -0.650 -20.918 1.00 0.00 N ATOM 779 CA LYS A 52 -35.649 -0.863 -19.773 1.00 0.00 C ATOM 780 C LYS A 52 -34.159 -0.633 -20.072 1.00 0.00 C ATOM 781 O LYS A 52 -33.359 -0.509 -19.147 1.00 0.00 O ATOM 782 CB LYS A 52 -35.894 -2.231 -19.120 1.00 0.00 C ATOM 783 CG LYS A 52 -35.907 -3.472 -20.027 1.00 0.00 C ATOM 784 CD LYS A 52 -34.694 -3.687 -20.947 1.00 0.00 C ATOM 785 CE LYS A 52 -34.689 -5.079 -21.598 1.00 0.00 C ATOM 786 NZ LYS A 52 -34.434 -6.164 -20.610 1.00 0.00 N ATOM 0 H LYS A 52 -37.154 -1.460 -21.115 1.00 0.00 H new ATOM 0 HA LYS A 52 -35.900 -0.077 -19.061 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -35.127 -2.381 -18.361 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -36.852 -2.187 -18.601 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -36.009 -4.352 -19.392 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -36.799 -3.424 -20.651 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -34.693 -2.925 -21.726 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -33.778 -3.555 -20.372 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.648 -5.253 -22.086 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -33.925 -5.111 -22.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -34.221 -7.049 -21.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -33.625 -5.904 -20.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -35.277 -6.298 -20.016 1.00 0.00 H new ATOM 800 N LEU A 53 -33.805 -0.552 -21.355 1.00 0.00 N ATOM 801 CA LEU A 53 -32.471 -0.310 -21.881 1.00 0.00 C ATOM 802 C LEU A 53 -32.466 0.956 -22.763 1.00 0.00 C ATOM 803 O LEU A 53 -31.593 1.796 -22.607 1.00 0.00 O ATOM 804 CB LEU A 53 -32.016 -1.598 -22.604 1.00 0.00 C ATOM 805 CG LEU A 53 -30.621 -1.573 -23.255 1.00 0.00 C ATOM 806 CD1 LEU A 53 -29.527 -1.107 -22.293 1.00 0.00 C ATOM 807 CD2 LEU A 53 -30.264 -2.977 -23.743 1.00 0.00 C ATOM 0 H LEU A 53 -34.493 -0.662 -22.100 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.749 -0.101 -21.091 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -32.041 -2.418 -21.886 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.748 -1.830 -23.378 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.669 -0.863 -24.081 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.566 -1.109 -22.807 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.752 -0.098 -21.948 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.483 -1.781 -21.438 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -29.277 -2.962 -24.204 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -30.259 -3.666 -22.898 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -31.001 -3.306 -24.475 1.00 0.00 H new ATOM 819 N ALA A 54 -33.449 1.148 -23.649 1.00 0.00 N ATOM 820 CA ALA A 54 -33.622 2.334 -24.487 1.00 0.00 C ATOM 821 C ALA A 54 -33.691 3.626 -23.664 1.00 0.00 C ATOM 822 O ALA A 54 -32.865 4.534 -23.814 1.00 0.00 O ATOM 823 CB ALA A 54 -34.867 2.116 -25.355 1.00 0.00 C ATOM 0 H ALA A 54 -34.176 0.450 -23.807 1.00 0.00 H new ATOM 0 HA ALA A 54 -32.750 2.464 -25.128 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -35.023 2.986 -25.993 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -34.727 1.231 -25.976 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -35.737 1.976 -24.714 1.00 0.00 H new ATOM 829 N LYS A 55 -34.655 3.669 -22.732 1.00 0.00 N ATOM 830 CA LYS A 55 -34.728 4.692 -21.692 1.00 0.00 C ATOM 831 C LYS A 55 -33.437 4.750 -20.897 1.00 0.00 C ATOM 832 O LYS A 55 -32.997 5.849 -20.664 1.00 0.00 O ATOM 833 CB LYS A 55 -35.960 4.505 -20.787 1.00 0.00 C ATOM 834 CG LYS A 55 -36.381 5.835 -20.152 1.00 0.00 C ATOM 835 CD LYS A 55 -37.890 6.038 -20.109 1.00 0.00 C ATOM 836 CE LYS A 55 -38.485 6.104 -21.523 1.00 0.00 C ATOM 837 NZ LYS A 55 -39.882 6.611 -21.491 1.00 0.00 N ATOM 0 H LYS A 55 -35.410 2.985 -22.683 1.00 0.00 H new ATOM 0 HA LYS A 55 -34.852 5.657 -22.184 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -36.786 4.099 -21.370 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -35.735 3.780 -20.005 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -35.987 5.885 -19.137 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -35.928 6.654 -20.710 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -38.353 5.221 -19.555 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -38.120 6.958 -19.572 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -37.873 6.754 -22.149 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -38.464 5.113 -21.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -40.472 6.042 -22.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -40.255 6.541 -20.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -39.898 7.605 -21.797 1.00 0.00 H new ATOM 851 N ALA A 56 -32.816 3.644 -20.476 1.00 0.00 N ATOM 852 CA ALA A 56 -31.560 3.670 -19.721 1.00 0.00 C ATOM 853 C ALA A 56 -30.449 4.436 -20.446 1.00 0.00 C ATOM 854 O ALA A 56 -29.824 5.312 -19.860 1.00 0.00 O ATOM 855 CB ALA A 56 -31.133 2.243 -19.356 1.00 0.00 C ATOM 0 H ALA A 56 -33.171 2.704 -20.650 1.00 0.00 H new ATOM 0 HA ALA A 56 -31.740 4.221 -18.798 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -30.199 2.275 -18.795 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -31.907 1.777 -18.746 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -30.990 1.662 -20.267 1.00 0.00 H new ATOM 861 N ARG A 57 -30.207 4.108 -21.713 1.00 0.00 N ATOM 862 CA ARG A 57 -29.266 4.761 -22.635 1.00 0.00 C ATOM 863 C ARG A 57 -29.535 6.270 -22.741 1.00 0.00 C ATOM 864 O ARG A 57 -28.680 7.090 -22.407 1.00 0.00 O ATOM 865 CB ARG A 57 -29.315 3.994 -23.976 1.00 0.00 C ATOM 866 CG ARG A 57 -28.927 2.504 -23.836 1.00 0.00 C ATOM 867 CD ARG A 57 -27.478 2.167 -24.185 1.00 0.00 C ATOM 868 NE ARG A 57 -27.288 1.935 -25.635 1.00 0.00 N ATOM 869 CZ ARG A 57 -27.327 0.767 -26.263 1.00 0.00 C ATOM 870 NH1 ARG A 57 -27.367 -0.383 -25.656 1.00 0.00 N ATOM 871 NH2 ARG A 57 -27.383 0.691 -27.557 1.00 0.00 N ATOM 0 H ARG A 57 -30.692 3.328 -22.157 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.243 4.711 -22.261 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -30.320 4.064 -24.391 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.642 4.473 -24.687 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -29.117 2.192 -22.809 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -29.583 1.914 -24.476 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -26.830 2.982 -23.862 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -27.171 1.278 -23.634 1.00 0.00 H new ATOM 0 HE ARG A 57 -27.109 2.758 -26.210 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -27.370 -0.422 -24.637 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -27.396 -1.246 -26.199 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -27.398 1.543 -28.118 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -27.412 -0.221 -28.014 1.00 0.00 H new ATOM 885 N ALA A 58 -30.762 6.629 -23.157 1.00 0.00 N ATOM 886 CA ALA A 58 -31.231 8.019 -23.224 1.00 0.00 C ATOM 887 C ALA A 58 -31.110 8.757 -21.878 1.00 0.00 C ATOM 888 O ALA A 58 -30.468 9.802 -21.796 1.00 0.00 O ATOM 889 CB ALA A 58 -32.675 8.032 -23.734 1.00 0.00 C ATOM 0 H ALA A 58 -31.462 5.952 -23.459 1.00 0.00 H new ATOM 0 HA ALA A 58 -30.587 8.561 -23.917 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -33.033 9.060 -23.787 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -32.715 7.582 -24.726 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -33.307 7.463 -23.052 1.00 0.00 H new ATOM 895 N ALA A 59 -31.687 8.182 -20.824 1.00 0.00 N ATOM 896 CA ALA A 59 -31.616 8.626 -19.437 1.00 0.00 C ATOM 897 C ALA A 59 -30.189 8.872 -18.967 1.00 0.00 C ATOM 898 O ALA A 59 -29.936 9.965 -18.502 1.00 0.00 O ATOM 899 CB ALA A 59 -32.286 7.617 -18.494 1.00 0.00 C ATOM 0 H ALA A 59 -32.253 7.339 -20.925 1.00 0.00 H new ATOM 0 HA ALA A 59 -32.152 9.575 -19.404 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -32.216 7.977 -17.467 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -33.335 7.503 -18.768 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -31.783 6.653 -18.576 1.00 0.00 H new ATOM 905 N GLN A 60 -29.262 7.913 -19.049 1.00 0.00 N ATOM 906 CA GLN A 60 -27.855 8.110 -18.673 1.00 0.00 C ATOM 907 C GLN A 60 -27.232 9.294 -19.431 1.00 0.00 C ATOM 908 O GLN A 60 -26.611 10.163 -18.819 1.00 0.00 O ATOM 909 CB GLN A 60 -27.046 6.813 -18.868 1.00 0.00 C ATOM 910 CG GLN A 60 -25.929 6.611 -17.830 1.00 0.00 C ATOM 911 CD GLN A 60 -24.951 7.778 -17.696 1.00 0.00 C ATOM 912 OE1 GLN A 60 -24.915 8.477 -16.691 1.00 0.00 O ATOM 913 NE2 GLN A 60 -24.121 8.034 -18.686 1.00 0.00 N ATOM 0 H GLN A 60 -29.466 6.970 -19.380 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.822 8.359 -17.612 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.726 5.962 -18.825 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.605 6.818 -19.865 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -26.386 6.427 -16.858 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -25.367 5.715 -18.093 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -24.140 7.460 -19.529 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -23.459 8.806 -18.610 1.00 0.00 H new ATOM 922 N SER A 61 -27.428 9.347 -20.756 1.00 0.00 N ATOM 923 CA SER A 61 -26.952 10.459 -21.599 1.00 0.00 C ATOM 924 C SER A 61 -27.460 11.822 -21.098 1.00 0.00 C ATOM 925 O SER A 61 -26.669 12.728 -20.802 1.00 0.00 O ATOM 926 CB SER A 61 -27.346 10.241 -23.069 1.00 0.00 C ATOM 927 OG SER A 61 -26.947 8.961 -23.535 1.00 0.00 O ATOM 0 H SER A 61 -27.921 8.621 -21.276 1.00 0.00 H new ATOM 0 HA SER A 61 -25.864 10.471 -21.529 1.00 0.00 H new ATOM 0 HB2 SER A 61 -28.426 10.347 -23.176 1.00 0.00 H new ATOM 0 HB3 SER A 61 -26.887 11.013 -23.687 1.00 0.00 H new ATOM 0 HG SER A 61 -27.556 8.280 -23.181 1.00 0.00 H new ATOM 933 N ALA A 62 -28.782 11.929 -20.932 1.00 0.00 N ATOM 934 CA ALA A 62 -29.468 13.067 -20.336 1.00 0.00 C ATOM 935 C ALA A 62 -28.926 13.388 -18.936 1.00 0.00 C ATOM 936 O ALA A 62 -28.386 14.472 -18.767 1.00 0.00 O ATOM 937 CB ALA A 62 -30.976 12.789 -20.340 1.00 0.00 C ATOM 0 H ALA A 62 -29.425 11.192 -21.223 1.00 0.00 H new ATOM 0 HA ALA A 62 -29.279 13.961 -20.930 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -31.503 13.634 -19.896 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -31.317 12.647 -21.365 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -31.182 11.888 -19.761 1.00 0.00 H new ATOM 943 N LEU A 63 -28.994 12.451 -17.982 1.00 0.00 N ATOM 944 CA LEU A 63 -28.514 12.525 -16.594 1.00 0.00 C ATOM 945 C LEU A 63 -27.133 13.167 -16.537 1.00 0.00 C ATOM 946 O LEU A 63 -26.994 14.253 -15.987 1.00 0.00 O ATOM 947 CB LEU A 63 -28.439 11.118 -15.949 1.00 0.00 C ATOM 948 CG LEU A 63 -29.615 10.649 -15.074 1.00 0.00 C ATOM 949 CD1 LEU A 63 -30.970 11.262 -15.404 1.00 0.00 C ATOM 950 CD2 LEU A 63 -29.738 9.126 -15.147 1.00 0.00 C ATOM 0 H LEU A 63 -29.422 11.546 -18.176 1.00 0.00 H new ATOM 0 HA LEU A 63 -29.227 13.134 -16.038 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -28.312 10.391 -16.752 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -27.536 11.080 -15.339 1.00 0.00 H new ATOM 0 HG LEU A 63 -29.367 10.996 -14.071 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -31.725 10.862 -14.727 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.917 12.345 -15.289 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.239 11.019 -16.432 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -30.572 8.798 -14.526 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -29.914 8.824 -16.180 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -28.816 8.669 -14.787 1.00 0.00 H new ATOM 962 N ALA A 64 -26.129 12.527 -17.145 1.00 0.00 N ATOM 963 CA ALA A 64 -24.760 13.025 -17.154 1.00 0.00 C ATOM 964 C ALA A 64 -24.697 14.458 -17.703 1.00 0.00 C ATOM 965 O ALA A 64 -24.143 15.344 -17.046 1.00 0.00 O ATOM 966 CB ALA A 64 -23.889 12.055 -17.963 1.00 0.00 C ATOM 0 H ALA A 64 -26.249 11.646 -17.645 1.00 0.00 H new ATOM 0 HA ALA A 64 -24.376 13.073 -16.135 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -22.861 12.416 -17.978 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -23.920 11.067 -17.503 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.266 11.992 -18.984 1.00 0.00 H new ATOM 972 N THR A 65 -25.318 14.700 -18.866 1.00 0.00 N ATOM 973 CA THR A 65 -25.417 16.045 -19.452 1.00 0.00 C ATOM 974 C THR A 65 -26.044 17.074 -18.503 1.00 0.00 C ATOM 975 O THR A 65 -25.361 17.986 -18.039 1.00 0.00 O ATOM 976 CB THR A 65 -26.159 16.027 -20.797 1.00 0.00 C ATOM 977 OG1 THR A 65 -25.550 15.112 -21.680 1.00 0.00 O ATOM 978 CG2 THR A 65 -26.126 17.409 -21.452 1.00 0.00 C ATOM 0 H THR A 65 -25.764 13.973 -19.425 1.00 0.00 H new ATOM 0 HA THR A 65 -24.390 16.363 -19.629 1.00 0.00 H new ATOM 0 HB THR A 65 -27.190 15.734 -20.600 1.00 0.00 H new ATOM 0 HG1 THR A 65 -25.861 14.205 -21.477 1.00 0.00 H new ATOM 0 HG21 THR A 65 -26.657 17.374 -22.403 1.00 0.00 H new ATOM 0 HG22 THR A 65 -26.606 18.134 -20.795 1.00 0.00 H new ATOM 0 HG23 THR A 65 -25.091 17.705 -21.625 1.00 0.00 H new ATOM 986 N VAL A 66 -27.353 16.979 -18.251 1.00 0.00 N ATOM 987 CA VAL A 66 -28.113 17.914 -17.413 1.00 0.00 C ATOM 988 C VAL A 66 -27.556 18.080 -16.006 1.00 0.00 C ATOM 989 O VAL A 66 -27.435 19.205 -15.536 1.00 0.00 O ATOM 990 CB VAL A 66 -29.640 17.700 -17.451 1.00 0.00 C ATOM 991 CG1 VAL A 66 -30.132 17.681 -18.901 1.00 0.00 C ATOM 992 CG2 VAL A 66 -30.159 16.436 -16.766 1.00 0.00 C ATOM 0 H VAL A 66 -27.930 16.230 -18.634 1.00 0.00 H new ATOM 0 HA VAL A 66 -27.959 18.882 -17.890 1.00 0.00 H new ATOM 0 HB VAL A 66 -30.035 18.541 -16.882 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -31.211 17.529 -18.917 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -29.892 18.631 -19.379 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -29.644 16.869 -19.440 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -31.244 16.393 -16.857 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -29.720 15.559 -17.241 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -29.883 16.454 -15.712 1.00 0.00 H new ATOM 1002 N PHE A 67 -27.175 17.004 -15.319 1.00 0.00 N ATOM 1003 CA PHE A 67 -26.451 17.091 -14.049 1.00 0.00 C ATOM 1004 C PHE A 67 -25.146 17.905 -14.129 1.00 0.00 C ATOM 1005 O PHE A 67 -24.921 18.741 -13.257 1.00 0.00 O ATOM 1006 CB PHE A 67 -26.253 15.712 -13.408 1.00 0.00 C ATOM 1007 CG PHE A 67 -27.503 14.879 -13.092 1.00 0.00 C ATOM 1008 CD1 PHE A 67 -28.808 15.371 -13.307 1.00 0.00 C ATOM 1009 CD2 PHE A 67 -27.362 13.570 -12.585 1.00 0.00 C ATOM 1010 CE1 PHE A 67 -29.935 14.577 -13.067 1.00 0.00 C ATOM 1011 CE2 PHE A 67 -28.497 12.785 -12.293 1.00 0.00 C ATOM 1012 CZ PHE A 67 -29.790 13.286 -12.537 1.00 0.00 C ATOM 0 H PHE A 67 -27.358 16.049 -15.625 1.00 0.00 H new ATOM 0 HA PHE A 67 -27.094 17.664 -13.381 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -25.618 15.124 -14.071 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -25.701 15.852 -12.479 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -28.940 16.382 -13.664 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -26.375 13.165 -12.419 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -30.920 14.959 -13.291 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -28.374 11.795 -11.880 1.00 0.00 H new ATOM 0 HZ PHE A 67 -30.660 12.684 -12.319 1.00 0.00 H new ATOM 1022 N ASN A 68 -24.265 17.677 -15.119 1.00 0.00 N ATOM 1023 CA ASN A 68 -23.116 18.559 -15.406 1.00 0.00 C ATOM 1024 C ASN A 68 -23.507 20.027 -15.677 1.00 0.00 C ATOM 1025 O ASN A 68 -22.774 20.943 -15.306 1.00 0.00 O ATOM 1026 CB ASN A 68 -22.247 17.945 -16.525 1.00 0.00 C ATOM 1027 CG ASN A 68 -20.786 18.391 -16.542 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -19.887 17.598 -16.787 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -20.469 19.642 -16.293 1.00 0.00 N ATOM 0 H ASN A 68 -24.329 16.874 -15.745 1.00 0.00 H new ATOM 0 HA ASN A 68 -22.514 18.615 -14.499 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.276 16.860 -16.430 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -22.696 18.193 -17.487 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.491 19.933 -16.307 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -21.201 20.322 -16.086 1.00 0.00 H new ATOM 1036 N LEU A 69 -24.641 20.257 -16.342 1.00 0.00 N ATOM 1037 CA LEU A 69 -25.231 21.588 -16.542 1.00 0.00 C ATOM 1038 C LEU A 69 -25.679 22.209 -15.202 1.00 0.00 C ATOM 1039 O LEU A 69 -25.489 23.406 -14.983 1.00 0.00 O ATOM 1040 CB LEU A 69 -26.326 21.467 -17.636 1.00 0.00 C ATOM 1041 CG LEU A 69 -27.787 21.896 -17.360 1.00 0.00 C ATOM 1042 CD1 LEU A 69 -27.984 23.394 -17.099 1.00 0.00 C ATOM 1043 CD2 LEU A 69 -28.632 21.605 -18.607 1.00 0.00 C ATOM 0 H LEU A 69 -25.189 19.509 -16.767 1.00 0.00 H new ATOM 0 HA LEU A 69 -24.498 22.305 -16.912 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -25.982 22.043 -18.495 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -26.354 20.422 -17.944 1.00 0.00 H new ATOM 0 HG LEU A 69 -28.075 21.341 -16.467 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -29.039 23.596 -16.916 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -27.402 23.691 -16.227 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -27.651 23.962 -17.968 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -29.664 21.903 -18.425 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -28.236 22.166 -19.454 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -28.596 20.539 -18.830 1.00 0.00 H new