USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.85 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 136:sc= 0.715 USER MOD Single : A 10 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= 0.0205 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.588 K(o=-0.59,f=-1.4) USER MOD Single : A 38 ASN : amide:sc= -2.42 K(o=-2.4,f=-6.5!) USER MOD Single : A 39 MET CE :methyl -135:sc= -3.2! (180deg=-7.2!) USER MOD Single : A 43 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.08) USER MOD Single : A 45 SER OG : rot 180:sc= 0.874 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -140:sc= -3.8! USER MOD Single : A 55 HIS : no HD1:sc= -0.966 K(o=-0.97,f=-0.1) USER MOD Single : A 63 SER OG : rot 169:sc= 1.19 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 66 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.4!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -131:sc= -0.422 (180deg=-1.83!) USER MOD Single : A 73 CYS SG : rot -133:sc= 0.196 USER MOD Single : A 75 ASN : amide:sc= -0.296 X(o=-0.3,f=0.086) USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00667) USER MOD Single : A 80 LYS NZ :NH3+ -149:sc= -0.0366 (180deg=-0.676) USER MOD Single : A 82 ASN : amide:sc= -0.345 X(o=-0.34,f=-0.03) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.612 K(o=-0.61,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 5.196 -2.930 -4.193 1.00 0.00 N ATOM 28 CA THR A 3 6.303 -2.795 -5.131 1.00 0.00 C ATOM 29 C THR A 3 7.645 -2.877 -4.413 1.00 0.00 C ATOM 30 O THR A 3 7.796 -2.432 -3.275 1.00 0.00 O ATOM 31 CB THR A 3 6.228 -1.463 -5.901 1.00 0.00 C ATOM 32 OG1 THR A 3 7.477 -1.201 -6.550 1.00 0.00 O ATOM 33 CG2 THR A 3 5.886 -0.314 -4.964 1.00 0.00 C ATOM 0 HA THR A 3 6.220 -3.621 -5.838 1.00 0.00 H new ATOM 0 HB THR A 3 5.441 -1.546 -6.650 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.420 -0.353 -7.038 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.839 0.616 -5.531 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.920 -0.502 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.654 -0.231 -4.194 1.00 0.00 H new ATOM 41 N PRO A 4 8.645 -3.461 -5.090 1.00 0.00 N ATOM 42 CA PRO A 4 9.993 -3.614 -4.536 1.00 0.00 C ATOM 43 C PRO A 4 10.724 -2.282 -4.411 1.00 0.00 C ATOM 44 O PRO A 4 11.285 -1.966 -3.362 1.00 0.00 O ATOM 45 CB PRO A 4 10.695 -4.516 -5.555 1.00 0.00 C ATOM 46 CG PRO A 4 9.966 -4.283 -6.832 1.00 0.00 C ATOM 47 CD PRO A 4 8.537 -4.014 -6.450 1.00 0.00 C ATOM 0 HA PRO A 4 9.974 -4.023 -3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.750 -4.260 -5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.646 -5.563 -5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.390 -3.439 -7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.038 -5.152 -7.487 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.064 -3.309 -7.134 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.938 -4.925 -6.467 1.00 0.00 H new ATOM 55 N ARG A 5 10.713 -1.503 -5.488 1.00 0.00 N ATOM 56 CA ARG A 5 11.376 -0.204 -5.499 1.00 0.00 C ATOM 57 C ARG A 5 10.776 0.703 -6.569 1.00 0.00 C ATOM 58 O ARG A 5 10.249 0.230 -7.575 1.00 0.00 O ATOM 59 CB ARG A 5 12.876 -0.375 -5.743 1.00 0.00 C ATOM 60 CG ARG A 5 13.688 -0.520 -4.466 1.00 0.00 C ATOM 61 CD ARG A 5 14.200 -1.942 -4.290 1.00 0.00 C ATOM 62 NE ARG A 5 15.556 -1.972 -3.748 1.00 0.00 N ATOM 63 CZ ARG A 5 16.639 -1.687 -4.463 1.00 0.00 C ATOM 64 NH1 ARG A 5 16.525 -1.352 -5.741 1.00 0.00 N ATOM 65 NH2 ARG A 5 17.839 -1.737 -3.899 1.00 0.00 N ATOM 0 H ARG A 5 10.252 -1.749 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 5 11.224 0.262 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.036 -1.254 -6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.245 0.485 -6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.531 0.171 -4.489 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.073 -0.245 -3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.531 -2.488 -3.625 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.182 -2.455 -5.251 1.00 0.00 H new ATOM 0 HE ARG A 5 15.678 -2.225 -2.768 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.604 -1.313 -6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.358 -1.134 -6.287 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.930 -1.994 -2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.670 -1.518 -4.448 1.00 0.00 H new ATOM 79 N PHE A 6 10.859 2.010 -6.343 1.00 0.00 N ATOM 80 CA PHE A 6 10.324 2.985 -7.287 1.00 0.00 C ATOM 81 C PHE A 6 10.873 4.379 -7.000 1.00 0.00 C ATOM 82 O PHE A 6 11.081 4.750 -5.845 1.00 0.00 O ATOM 83 CB PHE A 6 8.795 3.003 -7.221 1.00 0.00 C ATOM 84 CG PHE A 6 8.257 3.619 -5.961 1.00 0.00 C ATOM 85 CD1 PHE A 6 8.068 4.989 -5.869 1.00 0.00 C ATOM 86 CD2 PHE A 6 7.941 2.829 -4.868 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.573 5.559 -4.712 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.445 3.393 -3.708 1.00 0.00 C ATOM 89 CZ PHE A 6 7.262 4.760 -3.629 1.00 0.00 C ATOM 0 H PHE A 6 11.292 2.419 -5.515 1.00 0.00 H new ATOM 0 HA PHE A 6 10.635 2.691 -8.290 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.409 3.553 -8.079 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.424 1.982 -7.304 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.311 5.619 -6.712 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.084 1.760 -4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.429 6.628 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.201 2.765 -2.864 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.877 5.203 -2.723 1.00 0.00 H new ATOM 99 N SER A 7 11.107 5.146 -8.060 1.00 0.00 N ATOM 100 CA SER A 7 11.637 6.498 -7.923 1.00 0.00 C ATOM 101 C SER A 7 10.731 7.509 -8.620 1.00 0.00 C ATOM 102 O SER A 7 10.215 7.250 -9.707 1.00 0.00 O ATOM 103 CB SER A 7 13.050 6.576 -8.505 1.00 0.00 C ATOM 104 OG SER A 7 14.015 6.739 -7.480 1.00 0.00 O ATOM 0 H SER A 7 10.938 4.855 -9.023 1.00 0.00 H new ATOM 0 HA SER A 7 11.675 6.741 -6.861 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.265 5.669 -9.070 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.113 7.410 -9.204 1.00 0.00 H new ATOM 0 HG SER A 7 14.910 6.784 -7.877 1.00 0.00 H new ATOM 110 N ILE A 8 10.544 8.661 -7.985 1.00 0.00 N ATOM 111 CA ILE A 8 9.702 9.712 -8.544 1.00 0.00 C ATOM 112 C ILE A 8 10.536 10.914 -8.974 1.00 0.00 C ATOM 113 O ILE A 8 11.502 11.286 -8.306 1.00 0.00 O ATOM 114 CB ILE A 8 8.636 10.176 -7.533 1.00 0.00 C ATOM 115 CG1 ILE A 8 8.102 8.983 -6.739 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.502 10.892 -8.251 1.00 0.00 C ATOM 117 CD1 ILE A 8 7.016 9.351 -5.753 1.00 0.00 C ATOM 0 H ILE A 8 10.964 8.890 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 8 9.204 9.288 -9.416 1.00 0.00 H new ATOM 0 HB ILE A 8 9.097 10.875 -6.836 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.713 8.239 -7.434 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.927 8.516 -6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.757 11.214 -7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.896 11.762 -8.776 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.040 10.214 -8.968 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.685 8.456 -5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.406 10.072 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.173 9.790 -6.287 1.00 0.00 H new ATOM 129 N THR A 9 10.156 11.521 -10.094 1.00 0.00 N ATOM 130 CA THR A 9 10.868 12.682 -10.613 1.00 0.00 C ATOM 131 C THR A 9 9.906 13.823 -10.925 1.00 0.00 C ATOM 132 O THR A 9 8.772 13.593 -11.344 1.00 0.00 O ATOM 133 CB THR A 9 11.660 12.332 -11.887 1.00 0.00 C ATOM 134 OG1 THR A 9 12.186 11.004 -11.788 1.00 0.00 O ATOM 135 CG2 THR A 9 12.797 13.318 -12.106 1.00 0.00 C ATOM 0 H THR A 9 9.359 11.228 -10.659 1.00 0.00 H new ATOM 0 HA THR A 9 11.564 12.999 -9.836 1.00 0.00 H new ATOM 0 HB THR A 9 10.981 12.391 -12.737 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.043 10.532 -12.635 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.342 13.050 -13.011 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.391 14.324 -12.211 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.475 13.287 -11.253 1.00 0.00 H new ATOM 143 N GLN A 10 10.366 15.052 -10.717 1.00 0.00 N ATOM 144 CA GLN A 10 9.545 16.229 -10.976 1.00 0.00 C ATOM 145 C GLN A 10 10.121 17.053 -12.123 1.00 0.00 C ATOM 146 O GLN A 10 11.338 17.152 -12.279 1.00 0.00 O ATOM 147 CB GLN A 10 9.439 17.090 -9.716 1.00 0.00 C ATOM 148 CG GLN A 10 10.785 17.537 -9.170 1.00 0.00 C ATOM 149 CD GLN A 10 11.366 16.554 -8.173 1.00 0.00 C ATOM 150 OE1 GLN A 10 12.288 15.802 -8.490 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.828 16.555 -6.959 1.00 0.00 N ATOM 0 H GLN A 10 11.303 15.259 -10.370 1.00 0.00 H new ATOM 0 HA GLN A 10 8.549 15.891 -11.261 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.836 17.970 -9.937 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.912 16.528 -8.945 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.484 17.666 -9.997 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.674 18.510 -8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.065 17.196 -6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.178 15.915 -6.246 1.00 0.00 H new ATOM 160 N ASP A 11 9.239 17.642 -12.923 1.00 0.00 N ATOM 161 CA ASP A 11 9.659 18.458 -14.055 1.00 0.00 C ATOM 162 C ASP A 11 8.957 19.812 -14.040 1.00 0.00 C ATOM 163 O ASP A 11 8.111 20.073 -13.185 1.00 0.00 O ATOM 164 CB ASP A 11 9.368 17.733 -15.370 1.00 0.00 C ATOM 165 CG ASP A 11 9.570 16.235 -15.262 1.00 0.00 C ATOM 166 OD1 ASP A 11 10.590 15.814 -14.678 1.00 0.00 O ATOM 167 OD2 ASP A 11 8.707 15.483 -15.761 1.00 0.00 O ATOM 0 H ASP A 11 8.228 17.569 -12.808 1.00 0.00 H new ATOM 0 HA ASP A 11 10.733 18.625 -13.971 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.342 17.937 -15.675 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.017 18.129 -16.151 1.00 0.00 H new ATOM 172 N GLU A 12 9.314 20.669 -14.991 1.00 0.00 N ATOM 173 CA GLU A 12 8.718 21.997 -15.085 1.00 0.00 C ATOM 174 C GLU A 12 7.510 21.987 -16.017 1.00 0.00 C ATOM 175 O GLU A 12 7.088 23.030 -16.514 1.00 0.00 O ATOM 176 CB GLU A 12 9.751 23.010 -15.583 1.00 0.00 C ATOM 177 CG GLU A 12 10.073 22.874 -17.062 1.00 0.00 C ATOM 178 CD GLU A 12 11.358 23.582 -17.446 1.00 0.00 C ATOM 179 OE1 GLU A 12 11.814 24.447 -16.669 1.00 0.00 O ATOM 180 OE2 GLU A 12 11.907 23.272 -18.524 1.00 0.00 O ATOM 0 H GLU A 12 10.012 20.468 -15.707 1.00 0.00 H new ATOM 0 HA GLU A 12 8.384 22.288 -14.089 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.381 24.017 -15.391 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.669 22.893 -15.008 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.155 21.817 -17.317 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.249 23.281 -17.648 1.00 0.00 H new ATOM 187 N GLU A 13 6.959 20.799 -16.250 1.00 0.00 N ATOM 188 CA GLU A 13 5.800 20.653 -17.123 1.00 0.00 C ATOM 189 C GLU A 13 4.875 19.549 -16.619 1.00 0.00 C ATOM 190 O GLU A 13 3.653 19.694 -16.631 1.00 0.00 O ATOM 191 CB GLU A 13 6.248 20.345 -18.553 1.00 0.00 C ATOM 192 CG GLU A 13 7.556 19.576 -18.630 1.00 0.00 C ATOM 193 CD GLU A 13 7.810 18.992 -20.006 1.00 0.00 C ATOM 194 OE1 GLU A 13 6.864 18.963 -20.821 1.00 0.00 O ATOM 195 OE2 GLU A 13 8.953 18.563 -20.268 1.00 0.00 O ATOM 0 H GLU A 13 7.296 19.925 -15.847 1.00 0.00 H new ATOM 0 HA GLU A 13 5.251 21.594 -17.116 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.469 19.770 -19.053 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.354 21.281 -19.101 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.379 20.239 -18.363 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.544 18.771 -17.895 1.00 0.00 H new ATOM 202 N PHE A 14 5.468 18.444 -16.178 1.00 0.00 N ATOM 203 CA PHE A 14 4.698 17.314 -15.671 1.00 0.00 C ATOM 204 C PHE A 14 5.531 16.479 -14.702 1.00 0.00 C ATOM 205 O PHE A 14 6.684 16.805 -14.419 1.00 0.00 O ATOM 206 CB PHE A 14 4.214 16.439 -16.830 1.00 0.00 C ATOM 207 CG PHE A 14 5.315 15.667 -17.499 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.253 16.315 -18.286 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.413 14.294 -17.340 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.267 15.607 -18.904 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.424 13.581 -17.955 1.00 0.00 C ATOM 212 CZ PHE A 14 7.354 14.239 -18.737 1.00 0.00 C ATOM 0 H PHE A 14 6.479 18.307 -16.162 1.00 0.00 H new ATOM 0 HA PHE A 14 3.834 17.706 -15.135 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.465 15.740 -16.459 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.722 17.070 -17.570 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.191 17.385 -18.418 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.690 13.775 -16.728 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.991 16.124 -19.517 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.487 12.511 -17.825 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.147 13.685 -19.217 1.00 0.00 H new ATOM 222 N ILE A 15 4.938 15.403 -14.198 1.00 0.00 N ATOM 223 CA ILE A 15 5.624 14.521 -13.261 1.00 0.00 C ATOM 224 C ILE A 15 6.033 13.216 -13.935 1.00 0.00 C ATOM 225 O ILE A 15 5.298 12.673 -14.760 1.00 0.00 O ATOM 226 CB ILE A 15 4.742 14.201 -12.040 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.847 15.320 -11.001 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.145 12.867 -11.431 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.201 15.399 -10.332 1.00 0.00 C ATOM 0 H ILE A 15 3.984 15.120 -14.422 1.00 0.00 H new ATOM 0 HA ILE A 15 6.516 15.049 -12.925 1.00 0.00 H new ATOM 0 HB ILE A 15 3.705 14.130 -12.368 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.633 16.274 -11.483 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.082 15.170 -10.239 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.513 12.655 -10.569 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.025 12.077 -12.173 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.187 12.912 -11.114 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.202 16.214 -9.608 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.409 14.459 -9.820 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.969 15.581 -11.084 1.00 0.00 H new ATOM 241 N PHE A 16 7.210 12.715 -13.576 1.00 0.00 N ATOM 242 CA PHE A 16 7.718 11.471 -14.144 1.00 0.00 C ATOM 243 C PHE A 16 7.960 10.433 -13.053 1.00 0.00 C ATOM 244 O PHE A 16 8.971 10.477 -12.351 1.00 0.00 O ATOM 245 CB PHE A 16 9.014 11.730 -14.915 1.00 0.00 C ATOM 246 CG PHE A 16 9.848 10.497 -15.115 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.286 9.340 -15.630 1.00 0.00 C ATOM 248 CD2 PHE A 16 11.195 10.495 -14.788 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.051 8.204 -15.815 1.00 0.00 C ATOM 250 CE2 PHE A 16 11.965 9.362 -14.970 1.00 0.00 C ATOM 251 CZ PHE A 16 11.393 8.215 -15.486 1.00 0.00 C ATOM 0 H PHE A 16 7.831 13.151 -12.894 1.00 0.00 H new ATOM 0 HA PHE A 16 6.967 11.081 -14.831 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.770 12.156 -15.888 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.603 12.475 -14.380 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.238 9.326 -15.890 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.648 11.389 -14.386 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.600 7.308 -16.216 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.013 9.373 -14.709 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.993 7.329 -15.632 1.00 0.00 H new ATOM 261 N LEU A 17 7.024 9.500 -12.915 1.00 0.00 N ATOM 262 CA LEU A 17 7.134 8.449 -11.908 1.00 0.00 C ATOM 263 C LEU A 17 7.706 7.172 -12.515 1.00 0.00 C ATOM 264 O LEU A 17 7.160 6.629 -13.475 1.00 0.00 O ATOM 265 CB LEU A 17 5.765 8.165 -11.288 1.00 0.00 C ATOM 266 CG LEU A 17 5.697 6.975 -10.331 1.00 0.00 C ATOM 267 CD1 LEU A 17 5.524 5.676 -11.104 1.00 0.00 C ATOM 268 CD2 LEU A 17 6.944 6.917 -9.461 1.00 0.00 C ATOM 0 H LEU A 17 6.181 9.450 -13.487 1.00 0.00 H new ATOM 0 HA LEU A 17 7.814 8.795 -11.129 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.439 9.056 -10.752 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.050 7.999 -12.094 1.00 0.00 H new ATOM 0 HG LEU A 17 4.831 7.106 -9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.478 4.840 -10.406 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.601 5.717 -11.682 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.369 5.539 -11.779 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.878 6.064 -8.786 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.825 6.811 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.024 7.835 -8.878 1.00 0.00 H new ATOM 280 N LYS A 18 8.809 6.695 -11.946 1.00 0.00 N ATOM 281 CA LYS A 18 9.454 5.480 -12.427 1.00 0.00 C ATOM 282 C LYS A 18 9.285 4.341 -11.426 1.00 0.00 C ATOM 283 O LYS A 18 9.322 4.557 -10.214 1.00 0.00 O ATOM 284 CB LYS A 18 10.942 5.733 -12.680 1.00 0.00 C ATOM 285 CG LYS A 18 11.758 4.462 -12.836 1.00 0.00 C ATOM 286 CD LYS A 18 13.196 4.766 -13.222 1.00 0.00 C ATOM 287 CE LYS A 18 13.855 5.702 -12.221 1.00 0.00 C ATOM 288 NZ LYS A 18 15.338 5.709 -12.363 1.00 0.00 N ATOM 0 H LYS A 18 9.274 7.132 -11.151 1.00 0.00 H new ATOM 0 HA LYS A 18 8.976 5.192 -13.363 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.051 6.337 -13.581 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.348 6.316 -11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.742 3.901 -11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.303 3.827 -13.596 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.763 3.837 -13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.220 5.217 -14.214 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.472 6.713 -12.362 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.588 5.398 -11.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.714 6.622 -12.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.745 4.942 -11.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.592 5.568 -13.362 1.00 0.00 H new ATOM 302 N ILE A 19 9.100 3.130 -11.940 1.00 0.00 N ATOM 303 CA ILE A 19 8.928 1.958 -11.091 1.00 0.00 C ATOM 304 C ILE A 19 9.910 0.855 -11.471 1.00 0.00 C ATOM 305 O ILE A 19 10.005 0.467 -12.636 1.00 0.00 O ATOM 306 CB ILE A 19 7.493 1.405 -11.178 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.478 2.548 -11.106 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.245 0.398 -10.065 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.799 2.837 -12.426 1.00 0.00 C ATOM 0 H ILE A 19 9.065 2.935 -12.941 1.00 0.00 H new ATOM 0 HA ILE A 19 9.123 2.278 -10.068 1.00 0.00 H new ATOM 0 HB ILE A 19 7.372 0.896 -12.135 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.720 2.303 -10.362 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.983 3.450 -10.761 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.227 0.016 -10.140 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.950 -0.428 -10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.380 0.883 -9.098 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.093 3.658 -12.300 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.548 3.113 -13.168 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.265 1.948 -12.763 1.00 0.00 H new ATOM 321 N PHE A 20 10.638 0.351 -10.480 1.00 0.00 N ATOM 322 CA PHE A 20 11.612 -0.709 -10.709 1.00 0.00 C ATOM 323 C PHE A 20 10.981 -2.083 -10.501 1.00 0.00 C ATOM 324 O PHE A 20 10.563 -2.424 -9.394 1.00 0.00 O ATOM 325 CB PHE A 20 12.812 -0.540 -9.774 1.00 0.00 C ATOM 326 CG PHE A 20 13.440 0.822 -9.846 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.180 1.201 -10.955 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.290 1.725 -8.806 1.00 0.00 C ATOM 329 CE1 PHE A 20 14.760 2.453 -11.023 1.00 0.00 C ATOM 330 CE2 PHE A 20 13.867 2.979 -8.868 1.00 0.00 C ATOM 331 CZ PHE A 20 14.602 3.344 -9.979 1.00 0.00 C ATOM 0 H PHE A 20 10.572 0.660 -9.510 1.00 0.00 H new ATOM 0 HA PHE A 20 11.952 -0.637 -11.742 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.494 -0.731 -8.749 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.563 -1.291 -10.020 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.305 0.510 -11.775 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.715 1.445 -7.936 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.337 2.735 -11.892 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.744 3.672 -8.049 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.052 4.324 -10.032 1.00 0.00 H new ATOM 341 N ILE A 21 10.915 -2.866 -11.573 1.00 0.00 N ATOM 342 CA ILE A 21 10.335 -4.201 -11.508 1.00 0.00 C ATOM 343 C ILE A 21 11.201 -5.213 -12.251 1.00 0.00 C ATOM 344 O ILE A 21 12.245 -4.865 -12.803 1.00 0.00 O ATOM 345 CB ILE A 21 8.913 -4.228 -12.099 1.00 0.00 C ATOM 346 CG1 ILE A 21 8.943 -3.823 -13.574 1.00 0.00 C ATOM 347 CG2 ILE A 21 7.995 -3.307 -11.309 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.644 -4.091 -14.300 1.00 0.00 C ATOM 0 H ILE A 21 11.256 -2.598 -12.496 1.00 0.00 H new ATOM 0 HA ILE A 21 10.286 -4.472 -10.453 1.00 0.00 H new ATOM 0 HB ILE A 21 8.524 -5.244 -12.029 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.178 -2.761 -13.646 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.747 -4.362 -14.074 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.993 -3.336 -11.738 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.955 -3.637 -10.271 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.378 -2.287 -11.351 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.738 -3.780 -15.340 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.417 -5.156 -14.259 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.839 -3.530 -13.825 1.00 0.00 H new ATOM 492 N LEU A 31 -2.830 -3.514 -16.853 1.00 0.00 N ATOM 493 CA LEU A 31 -2.190 -2.224 -17.083 1.00 0.00 C ATOM 494 C LEU A 31 -3.231 -1.117 -17.220 1.00 0.00 C ATOM 495 O LEU A 31 -3.974 -1.069 -18.200 1.00 0.00 O ATOM 496 CB LEU A 31 -1.321 -2.280 -18.340 1.00 0.00 C ATOM 497 CG LEU A 31 0.149 -2.641 -18.124 1.00 0.00 C ATOM 498 CD1 LEU A 31 0.273 -3.863 -17.227 1.00 0.00 C ATOM 499 CD2 LEU A 31 0.841 -2.885 -19.458 1.00 0.00 C ATOM 0 HA LEU A 31 -1.559 -2.001 -16.223 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.756 -3.007 -19.026 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.367 -1.309 -18.833 1.00 0.00 H new ATOM 0 HG LEU A 31 0.640 -1.802 -17.631 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.326 -4.105 -17.085 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.185 -3.653 -16.260 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.234 -4.709 -17.692 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.886 -3.141 -19.284 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.348 -3.706 -19.979 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.785 -1.983 -20.068 1.00 0.00 H new ATOM 511 N GLU A 32 -3.276 -0.229 -16.232 1.00 0.00 N ATOM 512 CA GLU A 32 -4.225 0.879 -16.244 1.00 0.00 C ATOM 513 C GLU A 32 -4.024 1.780 -15.029 1.00 0.00 C ATOM 514 O GLU A 32 -4.730 1.657 -14.028 1.00 0.00 O ATOM 515 CB GLU A 32 -5.660 0.349 -16.267 1.00 0.00 C ATOM 516 CG GLU A 32 -6.364 0.558 -17.598 1.00 0.00 C ATOM 517 CD GLU A 32 -7.042 1.911 -17.693 1.00 0.00 C ATOM 518 OE1 GLU A 32 -7.985 2.159 -16.912 1.00 0.00 O ATOM 519 OE2 GLU A 32 -6.630 2.722 -18.548 1.00 0.00 O ATOM 0 H GLU A 32 -2.667 -0.255 -15.414 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.047 1.467 -17.144 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.649 -0.716 -16.034 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.233 0.841 -15.481 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.640 0.461 -18.407 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.107 -0.227 -17.739 1.00 0.00 H new ATOM 526 N ILE A 33 -3.056 2.686 -15.126 1.00 0.00 N ATOM 527 CA ILE A 33 -2.762 3.608 -14.036 1.00 0.00 C ATOM 528 C ILE A 33 -3.642 4.851 -14.116 1.00 0.00 C ATOM 529 O ILE A 33 -3.784 5.456 -15.179 1.00 0.00 O ATOM 530 CB ILE A 33 -1.284 4.039 -14.046 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.374 2.817 -13.902 1.00 0.00 C ATOM 532 CG2 ILE A 33 -1.016 5.040 -12.932 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.089 3.122 -14.141 1.00 0.00 C ATOM 0 H ILE A 33 -2.463 2.801 -15.948 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.971 3.076 -13.108 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.067 4.520 -15.000 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.492 2.402 -12.901 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.696 2.049 -14.605 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.033 5.335 -12.952 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.643 5.920 -13.075 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.246 4.583 -11.969 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.675 2.210 -14.022 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.220 3.508 -15.152 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.428 3.867 -13.421 1.00 0.00 H new ATOM 545 N ILE A 34 -4.230 5.227 -12.985 1.00 0.00 N ATOM 546 CA ILE A 34 -5.093 6.400 -12.926 1.00 0.00 C ATOM 547 C ILE A 34 -4.630 7.371 -11.845 1.00 0.00 C ATOM 548 O ILE A 34 -3.972 6.975 -10.882 1.00 0.00 O ATOM 549 CB ILE A 34 -6.557 6.008 -12.655 1.00 0.00 C ATOM 550 CG1 ILE A 34 -6.726 5.554 -11.204 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.999 4.912 -13.613 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.181 6.657 -10.274 1.00 0.00 C ATOM 0 H ILE A 34 -4.124 4.736 -12.097 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.029 6.887 -13.899 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.187 6.882 -12.819 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.449 4.739 -11.169 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.778 5.155 -10.844 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.036 4.646 -13.408 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.912 5.269 -14.639 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.366 4.035 -13.479 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.279 6.263 -9.263 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.447 7.463 -10.279 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.145 7.041 -10.609 1.00 0.00 H new ATOM 564 N ILE A 35 -4.978 8.642 -12.010 1.00 0.00 N ATOM 565 CA ILE A 35 -4.601 9.668 -11.046 1.00 0.00 C ATOM 566 C ILE A 35 -5.828 10.248 -10.350 1.00 0.00 C ATOM 567 O ILE A 35 -6.787 10.657 -11.003 1.00 0.00 O ATOM 568 CB ILE A 35 -3.818 10.812 -11.719 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.553 10.269 -12.387 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.467 11.885 -10.699 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.568 10.388 -13.895 1.00 0.00 C ATOM 0 H ILE A 35 -5.520 8.986 -12.802 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.962 9.186 -10.307 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.447 11.261 -12.487 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.687 10.804 -11.997 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.429 9.221 -12.114 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.914 12.686 -11.189 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.382 12.288 -10.265 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.853 11.450 -9.910 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.641 9.984 -14.301 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.414 9.829 -14.296 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.660 11.437 -14.176 1.00 0.00 H new ATOM 583 N GLN A 36 -5.788 10.279 -9.022 1.00 0.00 N ATOM 584 CA GLN A 36 -6.897 10.810 -8.238 1.00 0.00 C ATOM 585 C GLN A 36 -6.936 12.332 -8.311 1.00 0.00 C ATOM 586 O GLN A 36 -6.182 12.946 -9.065 1.00 0.00 O ATOM 587 CB GLN A 36 -6.781 10.359 -6.781 1.00 0.00 C ATOM 588 CG GLN A 36 -7.239 8.929 -6.548 1.00 0.00 C ATOM 589 CD GLN A 36 -8.655 8.684 -7.032 1.00 0.00 C ATOM 590 OE1 GLN A 36 -8.933 7.681 -7.690 1.00 0.00 O ATOM 591 NE2 GLN A 36 -9.559 9.601 -6.708 1.00 0.00 N ATOM 0 H GLN A 36 -5.001 9.943 -8.467 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.825 10.421 -8.658 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.744 10.456 -6.461 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.372 11.027 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.561 8.246 -7.060 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.178 8.701 -5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.284 10.417 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.528 9.489 -7.006 1.00 0.00 H new ATOM 600 N GLU A 37 -7.820 12.935 -7.522 1.00 0.00 N ATOM 601 CA GLU A 37 -7.957 14.387 -7.498 1.00 0.00 C ATOM 602 C GLU A 37 -6.599 15.059 -7.314 1.00 0.00 C ATOM 603 O GLU A 37 -6.337 16.119 -7.880 1.00 0.00 O ATOM 604 CB GLU A 37 -8.906 14.814 -6.377 1.00 0.00 C ATOM 605 CG GLU A 37 -8.651 14.101 -5.059 1.00 0.00 C ATOM 606 CD GLU A 37 -8.963 14.970 -3.856 1.00 0.00 C ATOM 607 OE1 GLU A 37 -9.709 15.959 -4.015 1.00 0.00 O ATOM 608 OE2 GLU A 37 -8.462 14.659 -2.755 1.00 0.00 O ATOM 0 H GLU A 37 -8.452 12.441 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.372 14.703 -8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.812 15.889 -6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.933 14.625 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.258 13.196 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.608 13.788 -5.016 1.00 0.00 H new ATOM 615 N ASN A 38 -5.740 14.433 -6.516 1.00 0.00 N ATOM 616 CA ASN A 38 -4.409 14.970 -6.255 1.00 0.00 C ATOM 617 C ASN A 38 -3.364 13.858 -6.256 1.00 0.00 C ATOM 618 O ASN A 38 -2.344 13.952 -6.939 1.00 0.00 O ATOM 619 CB ASN A 38 -4.387 15.704 -4.913 1.00 0.00 C ATOM 620 CG ASN A 38 -4.809 14.815 -3.760 1.00 0.00 C ATOM 621 OD1 ASN A 38 -5.995 14.548 -3.568 1.00 0.00 O ATOM 622 ND2 ASN A 38 -3.836 14.350 -2.984 1.00 0.00 N ATOM 0 H ASN A 38 -5.941 13.554 -6.039 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.166 15.674 -7.051 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.383 16.084 -4.726 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.050 16.568 -4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.059 13.746 -2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.866 14.597 -3.180 1.00 0.00 H new ATOM 629 N MET A 39 -3.626 12.806 -5.487 1.00 0.00 N ATOM 630 CA MET A 39 -2.709 11.676 -5.401 1.00 0.00 C ATOM 631 C MET A 39 -2.791 10.813 -6.657 1.00 0.00 C ATOM 632 O MET A 39 -3.679 10.996 -7.490 1.00 0.00 O ATOM 633 CB MET A 39 -3.022 10.830 -4.166 1.00 0.00 C ATOM 634 CG MET A 39 -3.793 9.558 -4.479 1.00 0.00 C ATOM 635 SD MET A 39 -4.711 8.934 -3.059 1.00 0.00 S ATOM 636 CE MET A 39 -3.371 8.512 -1.948 1.00 0.00 C ATOM 0 H MET A 39 -4.465 12.713 -4.915 1.00 0.00 H new ATOM 0 HA MET A 39 -1.696 12.068 -5.316 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.088 10.566 -3.671 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.598 11.430 -3.461 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.486 9.750 -5.298 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.098 8.792 -4.822 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.559 7.533 -1.507 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.433 8.486 -2.503 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.305 9.260 -1.158 1.00 0.00 H new ATOM 646 N ILE A 40 -1.860 9.873 -6.785 1.00 0.00 N ATOM 647 CA ILE A 40 -1.829 8.982 -7.938 1.00 0.00 C ATOM 648 C ILE A 40 -1.977 7.526 -7.512 1.00 0.00 C ATOM 649 O ILE A 40 -1.386 7.095 -6.521 1.00 0.00 O ATOM 650 CB ILE A 40 -0.521 9.141 -8.736 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.389 10.572 -9.260 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.478 8.144 -9.885 1.00 0.00 C ATOM 653 CD1 ILE A 40 0.855 10.799 -10.091 1.00 0.00 C ATOM 0 H ILE A 40 -1.118 9.709 -6.105 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.670 9.259 -8.574 1.00 0.00 H new ATOM 0 HB ILE A 40 0.320 8.938 -8.073 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.266 10.813 -9.861 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.382 11.261 -8.415 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.452 8.268 -10.440 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.532 7.130 -9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.324 8.319 -10.550 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.883 11.835 -10.429 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.739 10.590 -9.488 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.841 10.136 -10.956 1.00 0.00 H new ATOM 665 N ILE A 41 -2.769 6.772 -8.267 1.00 0.00 N ATOM 666 CA ILE A 41 -2.993 5.362 -7.969 1.00 0.00 C ATOM 667 C ILE A 41 -2.299 4.468 -8.990 1.00 0.00 C ATOM 668 O ILE A 41 -2.588 4.531 -10.185 1.00 0.00 O ATOM 669 CB ILE A 41 -4.495 5.024 -7.943 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.212 5.871 -6.889 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.699 3.542 -7.667 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.680 5.671 -5.488 1.00 0.00 C ATOM 0 H ILE A 41 -3.266 7.114 -9.089 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.571 5.177 -6.981 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.922 5.254 -8.919 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.120 6.924 -7.157 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.275 5.630 -6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.766 3.318 -7.652 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.217 2.956 -8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.261 3.288 -6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.235 6.303 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.797 4.626 -5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.624 5.940 -5.458 1.00 0.00 H new ATOM 684 N PHE A 42 -1.383 3.633 -8.512 1.00 0.00 N ATOM 685 CA PHE A 42 -0.648 2.723 -9.383 1.00 0.00 C ATOM 686 C PHE A 42 -1.263 1.327 -9.355 1.00 0.00 C ATOM 687 O PHE A 42 -1.093 0.580 -8.392 1.00 0.00 O ATOM 688 CB PHE A 42 0.821 2.654 -8.960 1.00 0.00 C ATOM 689 CG PHE A 42 1.614 1.624 -9.713 1.00 0.00 C ATOM 690 CD1 PHE A 42 2.136 1.911 -10.964 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.836 0.368 -9.170 1.00 0.00 C ATOM 692 CE1 PHE A 42 2.866 0.965 -11.659 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.565 -0.581 -9.861 1.00 0.00 C ATOM 694 CZ PHE A 42 3.080 -0.283 -11.107 1.00 0.00 C ATOM 0 H PHE A 42 -1.132 3.567 -7.526 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.708 3.107 -10.401 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.279 3.632 -9.106 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.874 2.434 -7.894 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.971 2.885 -11.401 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.435 0.129 -8.196 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.269 1.201 -12.633 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.732 -1.556 -9.427 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.649 -1.024 -11.649 1.00 0.00 H new ATOM 704 N HIS A 43 -1.980 0.982 -10.420 1.00 0.00 N ATOM 705 CA HIS A 43 -2.622 -0.324 -10.519 1.00 0.00 C ATOM 706 C HIS A 43 -1.805 -1.266 -11.398 1.00 0.00 C ATOM 707 O HIS A 43 -1.967 -2.485 -11.338 1.00 0.00 O ATOM 708 CB HIS A 43 -4.036 -0.179 -11.084 1.00 0.00 C ATOM 709 CG HIS A 43 -5.029 -1.108 -10.456 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.389 -1.006 -10.661 1.00 0.00 N ATOM 711 CD2 HIS A 43 -4.854 -2.162 -9.625 1.00 0.00 C ATOM 712 CE1 HIS A 43 -7.007 -1.955 -9.981 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.098 -2.671 -9.344 1.00 0.00 N ATOM 0 H HIS A 43 -2.131 1.588 -11.226 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.680 -0.749 -9.517 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.372 0.848 -10.942 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.010 -0.361 -12.158 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.911 -2.534 -9.252 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.074 -2.118 -9.951 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.289 -3.472 -8.742 1.00 0.00 H new ATOM 721 N LEU A 44 -0.926 -0.693 -12.213 1.00 0.00 N ATOM 722 CA LEU A 44 -0.083 -1.481 -13.105 1.00 0.00 C ATOM 723 C LEU A 44 0.642 -2.582 -12.338 1.00 0.00 C ATOM 724 O LEU A 44 0.805 -2.499 -11.121 1.00 0.00 O ATOM 725 CB LEU A 44 0.933 -0.579 -13.808 1.00 0.00 C ATOM 726 CG LEU A 44 1.095 -0.795 -15.313 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.284 0.535 -16.026 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.265 -1.726 -15.596 1.00 0.00 C ATOM 0 H LEU A 44 -0.779 0.314 -12.274 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.724 -1.947 -13.853 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.645 0.459 -13.639 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.904 -0.722 -13.334 1.00 0.00 H new ATOM 0 HG LEU A 44 0.186 -1.261 -15.693 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.398 0.361 -17.096 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.414 1.168 -15.852 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.176 1.030 -15.642 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.365 -1.868 -16.672 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.182 -1.289 -15.201 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.087 -2.689 -15.118 1.00 0.00 H new ATOM 740 N SER A 45 1.077 -3.611 -13.058 1.00 0.00 N ATOM 741 CA SER A 45 1.783 -4.729 -12.445 1.00 0.00 C ATOM 742 C SER A 45 0.902 -5.430 -11.415 1.00 0.00 C ATOM 743 O SER A 45 -0.133 -4.914 -10.993 1.00 0.00 O ATOM 744 CB SER A 45 3.074 -4.243 -11.783 1.00 0.00 C ATOM 745 OG SER A 45 3.050 -4.480 -10.386 1.00 0.00 O ATOM 0 H SER A 45 0.953 -3.693 -14.067 1.00 0.00 H new ATOM 0 HA SER A 45 2.032 -5.443 -13.230 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.929 -4.753 -12.227 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.205 -3.178 -11.972 1.00 0.00 H new ATOM 0 HG SER A 45 3.886 -4.162 -9.986 1.00 0.00 H new ATOM 751 N PRO A 46 1.322 -6.634 -11.000 1.00 0.00 N ATOM 752 CA PRO A 46 0.586 -7.432 -10.014 1.00 0.00 C ATOM 753 C PRO A 46 0.641 -6.822 -8.617 1.00 0.00 C ATOM 754 O PRO A 46 -0.004 -7.311 -7.690 1.00 0.00 O ATOM 755 CB PRO A 46 1.310 -8.780 -10.038 1.00 0.00 C ATOM 756 CG PRO A 46 2.689 -8.462 -10.505 1.00 0.00 C ATOM 757 CD PRO A 46 2.546 -7.309 -11.460 1.00 0.00 C ATOM 0 HA PRO A 46 -0.475 -7.498 -10.253 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.323 -9.240 -9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.817 -9.482 -10.710 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.334 -8.197 -9.667 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.143 -9.322 -10.997 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.410 -6.645 -11.421 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.453 -7.650 -12.491 1.00 0.00 H new ATOM 765 N TYR A 47 1.415 -5.752 -8.474 1.00 0.00 N ATOM 766 CA TYR A 47 1.555 -5.077 -7.190 1.00 0.00 C ATOM 767 C TYR A 47 0.905 -3.697 -7.226 1.00 0.00 C ATOM 768 O TYR A 47 1.165 -2.899 -8.126 1.00 0.00 O ATOM 769 CB TYR A 47 3.033 -4.947 -6.817 1.00 0.00 C ATOM 770 CG TYR A 47 3.833 -6.206 -7.062 1.00 0.00 C ATOM 771 CD1 TYR A 47 3.386 -7.437 -6.596 1.00 0.00 C ATOM 772 CD2 TYR A 47 5.035 -6.166 -7.757 1.00 0.00 C ATOM 773 CE1 TYR A 47 4.113 -8.591 -6.817 1.00 0.00 C ATOM 774 CE2 TYR A 47 5.768 -7.315 -7.984 1.00 0.00 C ATOM 775 CZ TYR A 47 5.303 -8.525 -7.511 1.00 0.00 C ATOM 776 OH TYR A 47 6.031 -9.671 -7.734 1.00 0.00 O ATOM 0 H TYR A 47 1.955 -5.334 -9.232 1.00 0.00 H new ATOM 0 HA TYR A 47 1.048 -5.678 -6.435 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.473 -4.130 -7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.111 -4.677 -5.764 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.455 -7.492 -6.052 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.403 -5.220 -8.126 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.751 -9.540 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.699 -7.266 -8.528 1.00 0.00 H new ATOM 0 HH TYR A 47 6.842 -9.450 -8.238 1.00 0.00 H new ATOM 786 N TYR A 48 0.059 -3.424 -6.239 1.00 0.00 N ATOM 787 CA TYR A 48 -0.631 -2.142 -6.157 1.00 0.00 C ATOM 788 C TYR A 48 0.151 -1.156 -5.294 1.00 0.00 C ATOM 789 O TYR A 48 0.555 -1.476 -4.176 1.00 0.00 O ATOM 790 CB TYR A 48 -2.038 -2.331 -5.586 1.00 0.00 C ATOM 791 CG TYR A 48 -2.801 -1.037 -5.415 1.00 0.00 C ATOM 792 CD1 TYR A 48 -2.637 -0.256 -4.278 1.00 0.00 C ATOM 793 CD2 TYR A 48 -3.685 -0.595 -6.392 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.333 0.926 -4.117 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.384 0.587 -6.240 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.205 1.343 -5.101 1.00 0.00 C ATOM 797 OH TYR A 48 -4.900 2.521 -4.945 1.00 0.00 O ATOM 0 H TYR A 48 -0.165 -4.073 -5.485 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.707 -1.735 -7.165 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.602 -2.992 -6.244 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.965 -2.830 -4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.953 -0.579 -3.507 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.828 -1.185 -7.285 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.195 1.520 -3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.067 0.917 -7.009 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.817 2.405 -5.271 1.00 0.00 H new ATOM 807 N LEU A 49 0.361 0.045 -5.822 1.00 0.00 N ATOM 808 CA LEU A 49 1.095 1.080 -5.102 1.00 0.00 C ATOM 809 C LEU A 49 0.312 2.388 -5.082 1.00 0.00 C ATOM 810 O LEU A 49 -0.352 2.741 -6.057 1.00 0.00 O ATOM 811 CB LEU A 49 2.465 1.302 -5.744 1.00 0.00 C ATOM 812 CG LEU A 49 3.486 2.066 -4.900 1.00 0.00 C ATOM 813 CD1 LEU A 49 3.175 3.555 -4.905 1.00 0.00 C ATOM 814 CD2 LEU A 49 3.510 1.529 -3.476 1.00 0.00 C ATOM 0 H LEU A 49 0.033 0.326 -6.746 1.00 0.00 H new ATOM 0 HA LEU A 49 1.233 0.745 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.887 0.329 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.322 1.841 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 49 4.473 1.920 -5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.912 4.083 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.210 3.931 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.180 3.720 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.242 2.084 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.523 1.644 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.782 0.473 -3.490 1.00 0.00 H new ATOM 826 N ARG A 50 0.396 3.106 -3.967 1.00 0.00 N ATOM 827 CA ARG A 50 -0.304 4.376 -3.821 1.00 0.00 C ATOM 828 C ARG A 50 0.674 5.502 -3.498 1.00 0.00 C ATOM 829 O ARG A 50 1.491 5.386 -2.583 1.00 0.00 O ATOM 830 CB ARG A 50 -1.363 4.276 -2.721 1.00 0.00 C ATOM 831 CG ARG A 50 -2.410 5.377 -2.781 1.00 0.00 C ATOM 832 CD ARG A 50 -3.734 4.919 -2.192 1.00 0.00 C ATOM 833 NE ARG A 50 -3.587 4.442 -0.820 1.00 0.00 N ATOM 834 CZ ARG A 50 -4.491 3.689 -0.202 1.00 0.00 C ATOM 835 NH1 ARG A 50 -5.601 3.330 -0.832 1.00 0.00 N ATOM 836 NH2 ARG A 50 -4.286 3.295 1.048 1.00 0.00 N ATOM 0 H ARG A 50 0.942 2.829 -3.151 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.793 4.603 -4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.860 3.309 -2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.870 4.308 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.052 6.251 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.558 5.684 -3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.446 5.744 -2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.150 4.123 -2.810 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.744 4.701 -0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.762 3.632 -1.793 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.294 2.752 -0.356 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.434 3.570 1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.981 2.717 1.521 1.00 0.00 H new ATOM 850 N LEU A 51 0.587 6.590 -4.255 1.00 0.00 N ATOM 851 CA LEU A 51 1.464 7.737 -4.051 1.00 0.00 C ATOM 852 C LEU A 51 0.662 8.974 -3.660 1.00 0.00 C ATOM 853 O LEU A 51 -0.303 9.338 -4.333 1.00 0.00 O ATOM 854 CB LEU A 51 2.271 8.019 -5.319 1.00 0.00 C ATOM 855 CG LEU A 51 3.170 6.883 -5.810 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.702 7.186 -7.201 1.00 0.00 C ATOM 857 CD2 LEU A 51 4.316 6.651 -4.836 1.00 0.00 C ATOM 0 H LEU A 51 -0.083 6.702 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 51 2.149 7.498 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.576 8.276 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.893 8.897 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 51 2.575 5.971 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.339 6.367 -7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.867 7.300 -7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.281 8.109 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.945 5.839 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.910 7.561 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.914 6.387 -3.858 1.00 0.00 H new ATOM 869 N ARG A 52 1.068 9.617 -2.570 1.00 0.00 N ATOM 870 CA ARG A 52 0.388 10.814 -2.091 1.00 0.00 C ATOM 871 C ARG A 52 1.343 12.003 -2.049 1.00 0.00 C ATOM 872 O ARG A 52 2.215 12.082 -1.183 1.00 0.00 O ATOM 873 CB ARG A 52 -0.200 10.569 -0.700 1.00 0.00 C ATOM 874 CG ARG A 52 -0.934 11.771 -0.128 1.00 0.00 C ATOM 875 CD ARG A 52 -2.291 11.961 -0.788 1.00 0.00 C ATOM 876 NE ARG A 52 -3.272 12.531 0.131 1.00 0.00 N ATOM 877 CZ ARG A 52 -4.585 12.412 -0.029 1.00 0.00 C ATOM 878 NH1 ARG A 52 -5.072 11.746 -1.067 1.00 0.00 N ATOM 879 NH2 ARG A 52 -5.414 12.960 0.851 1.00 0.00 N ATOM 0 H ARG A 52 1.865 9.329 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.420 11.045 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.887 9.724 -0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.604 10.287 -0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.066 11.641 0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.331 12.668 -0.269 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.184 12.614 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.653 11.001 -1.155 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.930 13.049 0.940 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.438 11.324 -1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.081 11.656 -1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.043 13.473 1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.422 12.868 0.728 1.00 0.00 H new ATOM 893 N PHE A 53 1.173 12.925 -2.991 1.00 0.00 N ATOM 894 CA PHE A 53 2.021 14.109 -3.063 1.00 0.00 C ATOM 895 C PHE A 53 1.356 15.297 -2.374 1.00 0.00 C ATOM 896 O PHE A 53 0.135 15.357 -2.226 1.00 0.00 O ATOM 897 CB PHE A 53 2.326 14.456 -4.522 1.00 0.00 C ATOM 898 CG PHE A 53 2.897 13.308 -5.304 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.730 12.383 -4.695 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.601 13.154 -6.649 1.00 0.00 C ATOM 901 CE1 PHE A 53 4.256 11.326 -5.412 1.00 0.00 C ATOM 902 CE2 PHE A 53 3.124 12.098 -7.371 1.00 0.00 C ATOM 903 CZ PHE A 53 3.954 11.184 -6.752 1.00 0.00 C ATOM 0 H PHE A 53 0.456 12.875 -3.715 1.00 0.00 H new ATOM 0 HA PHE A 53 2.955 13.888 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.410 14.795 -5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.028 15.289 -4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.971 12.490 -3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.954 13.867 -7.138 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.903 10.611 -4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.884 11.988 -8.418 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.366 10.360 -7.315 1.00 0.00 H new ATOM 913 N PRO A 54 2.177 16.266 -1.942 1.00 0.00 N ATOM 914 CA PRO A 54 1.691 17.470 -1.262 1.00 0.00 C ATOM 915 C PRO A 54 0.930 18.399 -2.201 1.00 0.00 C ATOM 916 O PRO A 54 0.352 19.397 -1.769 1.00 0.00 O ATOM 917 CB PRO A 54 2.976 18.141 -0.769 1.00 0.00 C ATOM 918 CG PRO A 54 4.035 17.659 -1.699 1.00 0.00 C ATOM 919 CD PRO A 54 3.642 16.260 -2.084 1.00 0.00 C ATOM 0 HA PRO A 54 0.986 17.232 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.891 19.227 -0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.198 17.863 0.261 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.105 18.301 -2.577 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.013 17.671 -1.217 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.946 16.023 -3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.106 15.519 -1.433 1.00 0.00 H new ATOM 927 N HIS A 55 0.934 18.065 -3.487 1.00 0.00 N ATOM 928 CA HIS A 55 0.242 18.870 -4.488 1.00 0.00 C ATOM 929 C HIS A 55 -0.932 18.101 -5.087 1.00 0.00 C ATOM 930 O HIS A 55 -1.291 17.027 -4.607 1.00 0.00 O ATOM 931 CB HIS A 55 1.210 19.289 -5.595 1.00 0.00 C ATOM 932 CG HIS A 55 2.329 20.161 -5.113 1.00 0.00 C ATOM 933 ND1 HIS A 55 2.261 21.538 -5.110 1.00 0.00 N ATOM 934 CD2 HIS A 55 3.547 19.844 -4.616 1.00 0.00 C ATOM 935 CE1 HIS A 55 3.390 22.031 -4.633 1.00 0.00 C ATOM 936 NE2 HIS A 55 4.187 21.024 -4.325 1.00 0.00 N ATOM 0 H HIS A 55 1.408 17.243 -3.861 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.144 19.763 -3.996 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.630 18.395 -6.057 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.656 19.818 -6.370 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.942 18.849 -4.475 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.622 23.079 -4.515 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.125 21.109 -3.934 1.00 0.00 H new ATOM 944 N GLU A 56 -1.525 18.660 -6.138 1.00 0.00 N ATOM 945 CA GLU A 56 -2.659 18.026 -6.800 1.00 0.00 C ATOM 946 C GLU A 56 -2.417 17.914 -8.303 1.00 0.00 C ATOM 947 O GLU A 56 -2.195 18.915 -8.984 1.00 0.00 O ATOM 948 CB GLU A 56 -3.940 18.820 -6.537 1.00 0.00 C ATOM 949 CG GLU A 56 -3.746 20.326 -6.592 1.00 0.00 C ATOM 950 CD GLU A 56 -5.055 21.086 -6.507 1.00 0.00 C ATOM 951 OE1 GLU A 56 -6.104 20.440 -6.302 1.00 0.00 O ATOM 952 OE2 GLU A 56 -5.031 22.327 -6.646 1.00 0.00 O ATOM 0 H GLU A 56 -1.239 19.549 -6.548 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.772 17.022 -6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.693 18.532 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.331 18.548 -5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.097 20.635 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.237 20.589 -7.519 1.00 0.00 H new ATOM 959 N LEU A 57 -2.463 16.688 -8.813 1.00 0.00 N ATOM 960 CA LEU A 57 -2.248 16.443 -10.235 1.00 0.00 C ATOM 961 C LEU A 57 -3.574 16.215 -10.954 1.00 0.00 C ATOM 962 O LEU A 57 -4.644 16.319 -10.352 1.00 0.00 O ATOM 963 CB LEU A 57 -1.334 15.232 -10.432 1.00 0.00 C ATOM 964 CG LEU A 57 -0.062 15.207 -9.583 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.185 13.810 -9.033 1.00 0.00 C ATOM 966 CD2 LEU A 57 1.132 15.680 -10.399 1.00 0.00 C ATOM 0 H LEU A 57 -2.647 15.849 -8.263 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.770 17.325 -10.662 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.908 14.330 -10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.047 15.185 -11.482 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.195 15.888 -8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.094 13.811 -8.432 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.660 13.508 -8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.298 13.108 -9.859 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.029 15.656 -9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.268 15.024 -11.259 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.956 16.699 -10.744 1.00 0.00 H new ATOM 978 N ILE A 58 -3.496 15.903 -12.243 1.00 0.00 N ATOM 979 CA ILE A 58 -4.690 15.657 -13.043 1.00 0.00 C ATOM 980 C ILE A 58 -4.425 14.610 -14.119 1.00 0.00 C ATOM 981 O ILE A 58 -3.334 14.551 -14.687 1.00 0.00 O ATOM 982 CB ILE A 58 -5.195 16.949 -13.712 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.408 16.651 -14.595 1.00 0.00 C ATOM 984 CG2 ILE A 58 -4.084 17.591 -14.529 1.00 0.00 C ATOM 985 CD1 ILE A 58 -7.031 17.888 -15.203 1.00 0.00 C ATOM 0 H ILE A 58 -2.619 15.814 -12.756 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.456 15.287 -12.361 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.499 17.649 -12.934 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.107 15.975 -15.395 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.159 16.129 -14.002 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.456 18.503 -14.996 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.246 17.834 -13.876 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.753 16.897 -15.302 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.885 17.601 -15.816 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.363 18.556 -14.408 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.294 18.399 -15.823 1.00 0.00 H new ATOM 997 N ASP A 59 -5.430 13.787 -14.396 1.00 0.00 N ATOM 998 CA ASP A 59 -5.307 12.744 -15.408 1.00 0.00 C ATOM 999 C ASP A 59 -6.043 13.136 -16.685 1.00 0.00 C ATOM 1000 O ASP A 59 -7.273 13.134 -16.730 1.00 0.00 O ATOM 1001 CB ASP A 59 -5.856 11.420 -14.874 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.303 10.489 -15.984 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.428 9.916 -16.666 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.529 10.334 -16.172 1.00 0.00 O ATOM 0 H ASP A 59 -6.339 13.822 -13.934 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.250 12.622 -15.643 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.089 10.927 -14.277 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.697 11.620 -14.211 1.00 0.00 H new ATOM 1009 N ASP A 60 -5.282 13.472 -17.721 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.861 13.866 -18.999 1.00 0.00 C ATOM 1011 C ASP A 60 -5.478 12.879 -20.097 1.00 0.00 C ATOM 1012 O ASP A 60 -4.979 11.790 -19.818 1.00 0.00 O ATOM 1013 CB ASP A 60 -5.400 15.275 -19.380 1.00 0.00 C ATOM 1014 CG ASP A 60 -6.542 16.145 -19.866 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -7.329 16.618 -19.021 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -6.648 16.353 -21.093 1.00 0.00 O ATOM 0 H ASP A 60 -4.262 13.479 -17.700 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.946 13.863 -18.894 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.930 15.746 -18.517 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.641 15.208 -20.159 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.717 13.268 -21.346 1.00 0.00 N ATOM 1022 CA GLU A 61 -5.399 12.415 -22.485 1.00 0.00 C ATOM 1023 C GLU A 61 -3.898 12.156 -22.568 1.00 0.00 C ATOM 1024 O GLU A 61 -3.465 11.063 -22.934 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.889 13.058 -23.784 1.00 0.00 C ATOM 1026 CG GLU A 61 -7.268 13.686 -23.670 1.00 0.00 C ATOM 1027 CD GLU A 61 -7.890 13.978 -25.022 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -7.624 15.066 -25.575 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -8.642 13.118 -25.526 1.00 0.00 O ATOM 0 H GLU A 61 -6.129 14.167 -21.594 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.908 11.461 -22.345 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.176 13.822 -24.093 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.907 12.302 -24.569 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.922 13.018 -23.110 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.195 14.612 -23.100 1.00 0.00 H new ATOM 1036 N ARG A 62 -3.108 13.169 -22.226 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.656 13.052 -22.263 1.00 0.00 C ATOM 1038 C ARG A 62 -1.174 11.959 -21.314 1.00 0.00 C ATOM 1039 O ARG A 62 -0.167 11.298 -21.572 1.00 0.00 O ATOM 1040 CB ARG A 62 -1.006 14.386 -21.893 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.617 15.043 -20.666 1.00 0.00 C ATOM 1042 CD ARG A 62 -2.276 16.368 -21.014 1.00 0.00 C ATOM 1043 NE ARG A 62 -1.384 17.501 -20.781 1.00 0.00 N ATOM 1044 CZ ARG A 62 -0.667 18.080 -21.738 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -0.739 17.637 -22.985 1.00 0.00 N ATOM 1046 NH2 ARG A 62 0.122 19.107 -21.448 1.00 0.00 N ATOM 0 H ARG A 62 -3.450 14.080 -21.920 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.364 12.782 -23.278 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.058 14.225 -21.717 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.090 15.068 -22.739 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.355 14.374 -20.223 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.843 15.206 -19.916 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.582 16.357 -22.060 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.181 16.490 -20.418 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.307 17.868 -19.832 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.346 16.849 -23.212 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.187 18.084 -23.718 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.178 19.452 -20.490 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.672 19.551 -22.183 1.00 0.00 H new ATOM 1060 N SER A 63 -1.898 11.774 -20.215 1.00 0.00 N ATOM 1061 CA SER A 63 -1.543 10.765 -19.225 1.00 0.00 C ATOM 1062 C SER A 63 -1.326 9.407 -19.887 1.00 0.00 C ATOM 1063 O SER A 63 -2.134 8.966 -20.705 1.00 0.00 O ATOM 1064 CB SER A 63 -2.635 10.657 -18.160 1.00 0.00 C ATOM 1065 OG SER A 63 -3.648 9.749 -18.558 1.00 0.00 O ATOM 0 H SER A 63 -2.735 12.311 -19.988 1.00 0.00 H new ATOM 0 HA SER A 63 -0.611 11.071 -18.749 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.197 10.328 -17.218 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.072 11.639 -17.982 1.00 0.00 H new ATOM 0 HG SER A 63 -4.240 9.566 -17.799 1.00 0.00 H new ATOM 1071 N THR A 64 -0.229 8.748 -19.527 1.00 0.00 N ATOM 1072 CA THR A 64 0.096 7.442 -20.085 1.00 0.00 C ATOM 1073 C THR A 64 1.377 6.886 -19.474 1.00 0.00 C ATOM 1074 O THR A 64 2.128 7.609 -18.821 1.00 0.00 O ATOM 1075 CB THR A 64 0.258 7.510 -21.616 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.564 6.211 -22.134 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.358 8.487 -22.001 1.00 0.00 C ATOM 0 H THR A 64 0.450 9.098 -18.851 1.00 0.00 H new ATOM 0 HA THR A 64 -0.735 6.780 -19.844 1.00 0.00 H new ATOM 0 HB THR A 64 -0.682 7.859 -22.044 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.664 6.262 -23.108 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.454 8.518 -23.086 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.108 9.481 -21.630 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.302 8.163 -21.563 1.00 0.00 H new ATOM 1085 N ALA A 65 1.620 5.598 -19.692 1.00 0.00 N ATOM 1086 CA ALA A 65 2.813 4.946 -19.165 1.00 0.00 C ATOM 1087 C ALA A 65 3.484 4.085 -20.230 1.00 0.00 C ATOM 1088 O ALA A 65 2.811 3.453 -21.044 1.00 0.00 O ATOM 1089 CB ALA A 65 2.459 4.104 -17.948 1.00 0.00 C ATOM 0 H ALA A 65 1.007 4.985 -20.230 1.00 0.00 H new ATOM 0 HA ALA A 65 3.519 5.721 -18.865 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.359 3.623 -17.564 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.032 4.743 -17.175 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.733 3.342 -18.231 1.00 0.00 H new ATOM 1095 N GLN A 66 4.813 4.065 -20.218 1.00 0.00 N ATOM 1096 CA GLN A 66 5.574 3.282 -21.184 1.00 0.00 C ATOM 1097 C GLN A 66 6.480 2.279 -20.478 1.00 0.00 C ATOM 1098 O GLN A 66 7.176 2.622 -19.522 1.00 0.00 O ATOM 1099 CB GLN A 66 6.408 4.203 -22.075 1.00 0.00 C ATOM 1100 CG GLN A 66 5.585 5.246 -22.813 1.00 0.00 C ATOM 1101 CD GLN A 66 5.230 4.819 -24.223 1.00 0.00 C ATOM 1102 OE1 GLN A 66 5.994 4.110 -24.880 1.00 0.00 O ATOM 1103 NE2 GLN A 66 4.067 5.248 -24.697 1.00 0.00 N ATOM 0 H GLN A 66 5.385 4.582 -19.550 1.00 0.00 H new ATOM 0 HA GLN A 66 4.868 2.731 -21.805 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.155 4.709 -21.462 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.949 3.598 -22.803 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.669 5.442 -22.255 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.142 6.182 -22.850 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.465 5.834 -24.118 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.775 4.992 -25.640 1.00 0.00 H new ATOM 1112 N TYR A 67 6.466 1.039 -20.955 1.00 0.00 N ATOM 1113 CA TYR A 67 7.285 -0.015 -20.368 1.00 0.00 C ATOM 1114 C TYR A 67 8.684 -0.020 -20.977 1.00 0.00 C ATOM 1115 O TYR A 67 8.843 -0.075 -22.196 1.00 0.00 O ATOM 1116 CB TYR A 67 6.623 -1.378 -20.572 1.00 0.00 C ATOM 1117 CG TYR A 67 7.503 -2.544 -20.182 1.00 0.00 C ATOM 1118 CD1 TYR A 67 8.340 -2.468 -19.075 1.00 0.00 C ATOM 1119 CD2 TYR A 67 7.499 -3.721 -20.920 1.00 0.00 C ATOM 1120 CE1 TYR A 67 9.146 -3.530 -18.715 1.00 0.00 C ATOM 1121 CE2 TYR A 67 8.301 -4.789 -20.566 1.00 0.00 C ATOM 1122 CZ TYR A 67 9.123 -4.688 -19.463 1.00 0.00 C ATOM 1123 OH TYR A 67 9.924 -5.749 -19.108 1.00 0.00 O ATOM 0 H TYR A 67 5.897 0.739 -21.746 1.00 0.00 H new ATOM 0 HA TYR A 67 7.374 0.181 -19.300 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.703 -1.417 -19.988 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.340 -1.482 -21.620 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.360 -1.563 -18.486 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.858 -3.803 -21.785 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.791 -3.454 -17.852 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.284 -5.698 -21.150 1.00 0.00 H new ATOM 0 HH TYR A 67 9.787 -6.487 -19.738 1.00 0.00 H new ATOM 1133 N ASP A 68 9.696 0.035 -20.118 1.00 0.00 N ATOM 1134 CA ASP A 68 11.083 0.035 -20.569 1.00 0.00 C ATOM 1135 C ASP A 68 11.734 -1.323 -20.324 1.00 0.00 C ATOM 1136 O ASP A 68 11.793 -1.798 -19.190 1.00 0.00 O ATOM 1137 CB ASP A 68 11.875 1.131 -19.853 1.00 0.00 C ATOM 1138 CG ASP A 68 11.946 2.413 -20.659 1.00 0.00 C ATOM 1139 OD1 ASP A 68 10.939 2.761 -21.310 1.00 0.00 O ATOM 1140 OD2 ASP A 68 13.008 3.069 -20.638 1.00 0.00 O ATOM 0 H ASP A 68 9.582 0.080 -19.105 1.00 0.00 H new ATOM 0 HA ASP A 68 11.091 0.234 -21.641 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.413 1.337 -18.887 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.885 0.774 -19.653 1.00 0.00 H new ATOM 1145 N SER A 69 12.220 -1.943 -21.394 1.00 0.00 N ATOM 1146 CA SER A 69 12.862 -3.248 -21.296 1.00 0.00 C ATOM 1147 C SER A 69 14.345 -3.101 -20.967 1.00 0.00 C ATOM 1148 O SER A 69 14.910 -3.900 -20.221 1.00 0.00 O ATOM 1149 CB SER A 69 12.693 -4.023 -22.605 1.00 0.00 C ATOM 1150 OG SER A 69 13.617 -5.094 -22.686 1.00 0.00 O ATOM 0 H SER A 69 12.181 -1.562 -22.339 1.00 0.00 H new ATOM 0 HA SER A 69 12.382 -3.802 -20.489 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.676 -4.410 -22.674 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.836 -3.350 -23.451 1.00 0.00 H new ATOM 0 HG SER A 69 13.488 -5.574 -23.530 1.00 0.00 H new ATOM 1156 N LYS A 70 14.970 -2.072 -21.530 1.00 0.00 N ATOM 1157 CA LYS A 70 16.386 -1.817 -21.297 1.00 0.00 C ATOM 1158 C LYS A 70 16.698 -1.800 -19.804 1.00 0.00 C ATOM 1159 O LYS A 70 17.801 -2.154 -19.387 1.00 0.00 O ATOM 1160 CB LYS A 70 16.796 -0.485 -21.930 1.00 0.00 C ATOM 1161 CG LYS A 70 15.974 0.697 -21.445 1.00 0.00 C ATOM 1162 CD LYS A 70 16.649 1.405 -20.282 1.00 0.00 C ATOM 1163 CE LYS A 70 15.678 2.316 -19.545 1.00 0.00 C ATOM 1164 NZ LYS A 70 16.342 3.049 -18.431 1.00 0.00 N ATOM 0 H LYS A 70 14.517 -1.401 -22.151 1.00 0.00 H new ATOM 0 HA LYS A 70 16.956 -2.623 -21.760 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.848 -0.298 -21.714 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.702 -0.563 -23.013 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.827 1.400 -22.265 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.986 0.353 -21.139 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.053 0.666 -19.590 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.491 1.991 -20.650 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.249 3.032 -20.246 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.853 1.723 -19.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.773 2.955 -17.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.288 2.649 -18.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.429 4.055 -18.681 1.00 0.00 H new ATOM 1178 N ASP A 71 15.720 -1.388 -19.005 1.00 0.00 N ATOM 1179 CA ASP A 71 15.890 -1.328 -17.558 1.00 0.00 C ATOM 1180 C ASP A 71 14.806 -2.136 -16.850 1.00 0.00 C ATOM 1181 O ASP A 71 14.809 -2.255 -15.625 1.00 0.00 O ATOM 1182 CB ASP A 71 15.855 0.124 -17.079 1.00 0.00 C ATOM 1183 CG ASP A 71 16.106 0.248 -15.589 1.00 0.00 C ATOM 1184 OD1 ASP A 71 16.886 -0.564 -15.049 1.00 0.00 O ATOM 1185 OD2 ASP A 71 15.521 1.157 -14.962 1.00 0.00 O ATOM 0 H ASP A 71 14.802 -1.091 -19.335 1.00 0.00 H new ATOM 0 HA ASP A 71 16.860 -1.760 -17.312 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.605 0.700 -17.620 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.885 0.559 -17.319 1.00 0.00 H new ATOM 1190 N GLU A 72 13.881 -2.687 -17.629 1.00 0.00 N ATOM 1191 CA GLU A 72 12.792 -3.482 -17.076 1.00 0.00 C ATOM 1192 C GLU A 72 11.979 -2.667 -16.073 1.00 0.00 C ATOM 1193 O GLU A 72 11.376 -3.220 -15.152 1.00 0.00 O ATOM 1194 CB GLU A 72 13.340 -4.741 -16.401 1.00 0.00 C ATOM 1195 CG GLU A 72 14.455 -5.414 -17.184 1.00 0.00 C ATOM 1196 CD GLU A 72 15.832 -4.942 -16.761 1.00 0.00 C ATOM 1197 OE1 GLU A 72 16.040 -4.730 -15.548 1.00 0.00 O ATOM 1198 OE2 GLU A 72 16.703 -4.785 -17.642 1.00 0.00 O ATOM 0 H GLU A 72 13.864 -2.597 -18.645 1.00 0.00 H new ATOM 0 HA GLU A 72 12.137 -3.775 -17.897 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.710 -4.480 -15.409 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.526 -5.452 -16.261 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.388 -6.494 -17.049 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.318 -5.216 -18.247 1.00 0.00 H new ATOM 1205 N CYS A 73 11.969 -1.352 -16.259 1.00 0.00 N ATOM 1206 CA CYS A 73 11.232 -0.460 -15.371 1.00 0.00 C ATOM 1207 C CYS A 73 10.046 0.169 -16.094 1.00 0.00 C ATOM 1208 O CYS A 73 10.038 0.272 -17.321 1.00 0.00 O ATOM 1209 CB CYS A 73 12.155 0.633 -14.831 1.00 0.00 C ATOM 1210 SG CYS A 73 12.710 1.814 -16.083 1.00 0.00 S ATOM 0 H CYS A 73 12.463 -0.880 -17.016 1.00 0.00 H new ATOM 0 HA CYS A 73 10.853 -1.050 -14.536 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.636 1.175 -14.041 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.028 0.165 -14.376 1.00 0.00 H new ATOM 0 HG CYS A 73 13.993 1.990 -15.975 1.00 0.00 H new ATOM 1216 N ILE A 74 9.045 0.588 -15.326 1.00 0.00 N ATOM 1217 CA ILE A 74 7.854 1.206 -15.894 1.00 0.00 C ATOM 1218 C ILE A 74 7.875 2.719 -15.701 1.00 0.00 C ATOM 1219 O ILE A 74 8.173 3.212 -14.614 1.00 0.00 O ATOM 1220 CB ILE A 74 6.569 0.637 -15.264 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.525 -0.883 -15.428 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.342 1.280 -15.893 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.350 -1.331 -16.863 1.00 0.00 C ATOM 0 H ILE A 74 9.036 0.510 -14.309 1.00 0.00 H new ATOM 0 HA ILE A 74 7.858 0.978 -16.960 1.00 0.00 H new ATOM 0 HB ILE A 74 6.570 0.868 -14.199 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.447 -1.310 -15.032 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.706 -1.282 -14.829 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.441 0.868 -15.438 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.371 2.357 -15.729 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.333 1.076 -16.964 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.327 -2.420 -16.904 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.415 -0.934 -17.257 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.182 -0.963 -17.463 1.00 0.00 H new ATOM 1235 N ASN A 75 7.555 3.450 -16.763 1.00 0.00 N ATOM 1236 CA ASN A 75 7.535 4.908 -16.710 1.00 0.00 C ATOM 1237 C ASN A 75 6.105 5.435 -16.765 1.00 0.00 C ATOM 1238 O ASN A 75 5.365 5.157 -17.709 1.00 0.00 O ATOM 1239 CB ASN A 75 8.351 5.491 -17.866 1.00 0.00 C ATOM 1240 CG ASN A 75 9.702 4.819 -18.018 1.00 0.00 C ATOM 1241 OD1 ASN A 75 10.719 5.333 -17.551 1.00 0.00 O ATOM 1242 ND2 ASN A 75 9.718 3.665 -18.674 1.00 0.00 N ATOM 0 H ASN A 75 7.306 3.057 -17.671 1.00 0.00 H new ATOM 0 HA ASN A 75 7.981 5.219 -15.765 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.789 5.384 -18.794 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.496 6.559 -17.702 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.598 3.167 -18.808 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.850 3.277 -19.044 1.00 0.00 H new ATOM 1249 N VAL A 76 5.722 6.198 -15.747 1.00 0.00 N ATOM 1250 CA VAL A 76 4.381 6.766 -15.679 1.00 0.00 C ATOM 1251 C VAL A 76 4.427 8.290 -15.705 1.00 0.00 C ATOM 1252 O VAL A 76 5.101 8.916 -14.886 1.00 0.00 O ATOM 1253 CB VAL A 76 3.640 6.308 -14.408 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.170 6.693 -14.479 1.00 0.00 C ATOM 1255 CG2 VAL A 76 3.799 4.808 -14.212 1.00 0.00 C ATOM 0 H VAL A 76 6.322 6.437 -14.957 1.00 0.00 H new ATOM 0 HA VAL A 76 3.841 6.406 -16.555 1.00 0.00 H new ATOM 0 HB VAL A 76 4.081 6.813 -13.548 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.663 6.361 -13.573 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.081 7.776 -14.569 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.711 6.218 -15.346 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.270 4.501 -13.310 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.385 4.283 -15.073 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.857 4.564 -14.113 1.00 0.00 H new ATOM 1265 N LYS A 77 3.707 8.882 -16.651 1.00 0.00 N ATOM 1266 CA LYS A 77 3.663 10.334 -16.785 1.00 0.00 C ATOM 1267 C LYS A 77 2.285 10.873 -16.417 1.00 0.00 C ATOM 1268 O LYS A 77 1.263 10.271 -16.749 1.00 0.00 O ATOM 1269 CB LYS A 77 4.019 10.746 -18.215 1.00 0.00 C ATOM 1270 CG LYS A 77 2.843 10.687 -19.175 1.00 0.00 C ATOM 1271 CD LYS A 77 2.130 12.025 -19.266 1.00 0.00 C ATOM 1272 CE LYS A 77 2.715 12.895 -20.368 1.00 0.00 C ATOM 1273 NZ LYS A 77 2.454 14.342 -20.130 1.00 0.00 N ATOM 0 H LYS A 77 3.145 8.379 -17.337 1.00 0.00 H new ATOM 0 HA LYS A 77 4.395 10.759 -16.098 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.417 11.761 -18.203 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.812 10.096 -18.585 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.194 10.393 -20.164 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.141 9.921 -18.845 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.069 11.861 -19.455 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.207 12.545 -18.311 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.790 12.726 -20.432 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.288 12.602 -21.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.839 14.899 -20.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.429 14.503 -20.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.912 14.636 -19.244 1.00 0.00 H new ATOM 1287 N VAL A 78 2.263 12.011 -15.731 1.00 0.00 N ATOM 1288 CA VAL A 78 1.010 12.633 -15.320 1.00 0.00 C ATOM 1289 C VAL A 78 1.089 14.151 -15.426 1.00 0.00 C ATOM 1290 O VAL A 78 2.053 14.766 -14.969 1.00 0.00 O ATOM 1291 CB VAL A 78 0.639 12.248 -13.876 1.00 0.00 C ATOM 1292 CG1 VAL A 78 1.794 12.544 -12.931 1.00 0.00 C ATOM 1293 CG2 VAL A 78 -0.621 12.979 -13.437 1.00 0.00 C ATOM 0 H VAL A 78 3.099 12.521 -15.448 1.00 0.00 H new ATOM 0 HA VAL A 78 0.238 12.265 -15.995 1.00 0.00 H new ATOM 0 HB VAL A 78 0.440 11.177 -13.843 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.514 12.266 -11.915 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.670 11.971 -13.236 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.028 13.608 -12.964 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.869 12.695 -12.414 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.453 14.055 -13.484 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.446 12.711 -14.098 1.00 0.00 H new ATOM 1303 N ALA A 79 0.069 14.751 -16.030 1.00 0.00 N ATOM 1304 CA ALA A 79 0.022 16.199 -16.193 1.00 0.00 C ATOM 1305 C ALA A 79 -0.228 16.894 -14.859 1.00 0.00 C ATOM 1306 O ALA A 79 -0.980 16.397 -14.020 1.00 0.00 O ATOM 1307 CB ALA A 79 -1.053 16.582 -17.200 1.00 0.00 C ATOM 0 H ALA A 79 -0.736 14.257 -16.415 1.00 0.00 H new ATOM 0 HA ALA A 79 0.990 16.529 -16.569 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.077 17.666 -17.312 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.830 16.123 -18.163 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.023 16.232 -16.847 1.00 0.00 H new ATOM 1313 N LYS A 80 0.406 18.046 -14.669 1.00 0.00 N ATOM 1314 CA LYS A 80 0.252 18.810 -13.437 1.00 0.00 C ATOM 1315 C LYS A 80 -0.767 19.931 -13.616 1.00 0.00 C ATOM 1316 O LYS A 80 -0.859 20.535 -14.686 1.00 0.00 O ATOM 1317 CB LYS A 80 1.599 19.395 -13.004 1.00 0.00 C ATOM 1318 CG LYS A 80 2.275 18.608 -11.895 1.00 0.00 C ATOM 1319 CD LYS A 80 2.097 19.281 -10.545 1.00 0.00 C ATOM 1320 CE LYS A 80 0.626 19.498 -10.220 1.00 0.00 C ATOM 1321 NZ LYS A 80 0.427 19.922 -8.807 1.00 0.00 N ATOM 0 H LYS A 80 1.032 18.471 -15.353 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.110 18.134 -12.662 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.263 19.434 -13.867 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.449 20.422 -12.670 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.860 17.601 -11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.338 18.507 -12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.556 18.669 -9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.616 20.239 -10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.214 20.255 -10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.074 18.576 -10.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.490 19.570 -8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.189 19.532 -8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.442 20.960 -8.751 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.529 20.205 -12.563 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.541 21.255 -12.604 1.00 0.00 C ATOM 1337 C LEU A 81 -1.924 22.590 -13.006 1.00 0.00 C ATOM 1338 O LEU A 81 -2.552 23.392 -13.697 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.223 21.385 -11.241 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.176 20.252 -10.856 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -4.886 20.573 -9.550 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -5.185 20.003 -11.967 1.00 0.00 C ATOM 0 H LEU A 81 -1.465 19.715 -11.671 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.285 20.980 -13.352 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.450 21.458 -10.476 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.779 22.322 -11.223 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.591 19.343 -10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.560 19.756 -9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.149 20.700 -8.757 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.459 21.493 -9.664 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.855 19.194 -11.676 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.765 20.909 -12.141 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.659 19.727 -12.881 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.690 22.821 -12.571 1.00 0.00 N ATOM 1355 CA ASN A 82 0.013 24.060 -12.887 1.00 0.00 C ATOM 1356 C ASN A 82 1.413 23.770 -13.420 1.00 0.00 C ATOM 1357 O ASN A 82 2.129 22.922 -12.888 1.00 0.00 O ATOM 1358 CB ASN A 82 0.102 24.951 -11.647 1.00 0.00 C ATOM 1359 CG ASN A 82 -1.164 24.910 -10.813 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -2.024 25.785 -10.927 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -1.284 23.892 -9.969 1.00 0.00 N ATOM 0 H ASN A 82 -0.156 22.167 -11.999 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.551 24.581 -13.661 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.947 24.634 -11.035 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.298 25.978 -11.954 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.114 23.812 -9.382 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.546 23.190 -9.908 1.00 0.00 H new ATOM 1368 N LYS A 83 1.797 24.480 -14.475 1.00 0.00 N ATOM 1369 CA LYS A 83 3.111 24.302 -15.081 1.00 0.00 C ATOM 1370 C LYS A 83 4.204 24.881 -14.189 1.00 0.00 C ATOM 1371 O LYS A 83 3.931 25.688 -13.301 1.00 0.00 O ATOM 1372 CB LYS A 83 3.155 24.968 -16.458 1.00 0.00 C ATOM 1373 CG LYS A 83 4.326 24.517 -17.315 1.00 0.00 C ATOM 1374 CD LYS A 83 3.979 24.549 -18.794 1.00 0.00 C ATOM 1375 CE LYS A 83 4.254 23.210 -19.460 1.00 0.00 C ATOM 1376 NZ LYS A 83 3.839 23.206 -20.890 1.00 0.00 N ATOM 0 H LYS A 83 1.216 25.185 -14.929 1.00 0.00 H new ATOM 0 HA LYS A 83 3.289 23.233 -15.196 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.226 24.754 -16.986 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.206 26.049 -16.328 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.185 25.162 -17.128 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.618 23.506 -17.031 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.927 24.808 -18.917 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.559 25.328 -19.288 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.317 22.981 -19.390 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.723 22.423 -18.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.043 22.276 -21.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.819 23.399 -20.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.365 23.940 -21.406 1.00 0.00 H new ATOM 1390 N ASN A 84 5.443 24.464 -14.432 1.00 0.00 N ATOM 1391 CA ASN A 84 6.577 24.943 -13.650 1.00 0.00 C ATOM 1392 C ASN A 84 6.417 24.576 -12.178 1.00 0.00 C ATOM 1393 O ASN A 84 7.024 25.196 -11.305 1.00 0.00 O ATOM 1394 CB ASN A 84 6.722 26.459 -13.798 1.00 0.00 C ATOM 1395 CG ASN A 84 7.681 26.843 -14.907 1.00 0.00 C ATOM 1396 OD1 ASN A 84 8.538 27.710 -14.730 1.00 0.00 O ATOM 1397 ND2 ASN A 84 7.542 26.199 -16.060 1.00 0.00 N ATOM 0 H ASN A 84 5.687 23.796 -15.163 1.00 0.00 H new ATOM 0 HA ASN A 84 7.478 24.461 -14.030 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.744 26.897 -13.999 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.072 26.881 -12.856 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.159 26.416 -16.843 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.818 25.488 -16.163 1.00 0.00 H new ATOM 1404 N GLU A 85 5.596 23.565 -11.911 1.00 0.00 N ATOM 1405 CA GLU A 85 5.356 23.117 -10.545 1.00 0.00 C ATOM 1406 C GLU A 85 6.265 21.944 -10.189 1.00 0.00 C ATOM 1407 O GLU A 85 6.438 21.017 -10.981 1.00 0.00 O ATOM 1408 CB GLU A 85 3.891 22.714 -10.366 1.00 0.00 C ATOM 1409 CG GLU A 85 3.529 22.351 -8.936 1.00 0.00 C ATOM 1410 CD GLU A 85 2.909 23.509 -8.179 1.00 0.00 C ATOM 1411 OE1 GLU A 85 3.601 24.532 -7.991 1.00 0.00 O ATOM 1412 OE2 GLU A 85 1.734 23.393 -7.775 1.00 0.00 O ATOM 0 H GLU A 85 5.086 23.041 -12.623 1.00 0.00 H new ATOM 0 HA GLU A 85 5.582 23.946 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.254 23.535 -10.696 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.675 21.864 -11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.833 21.512 -8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.425 22.017 -8.412 1.00 0.00 H new ATOM 1419 N TYR A 86 6.843 21.992 -8.995 1.00 0.00 N ATOM 1420 CA TYR A 86 7.737 20.935 -8.535 1.00 0.00 C ATOM 1421 C TYR A 86 7.230 20.321 -7.233 1.00 0.00 C ATOM 1422 O TYR A 86 6.147 20.659 -6.754 1.00 0.00 O ATOM 1423 CB TYR A 86 9.150 21.485 -8.336 1.00 0.00 C ATOM 1424 CG TYR A 86 9.328 22.246 -7.042 1.00 0.00 C ATOM 1425 CD1 TYR A 86 8.748 23.496 -6.863 1.00 0.00 C ATOM 1426 CD2 TYR A 86 10.075 21.716 -5.997 1.00 0.00 C ATOM 1427 CE1 TYR A 86 8.908 24.196 -5.683 1.00 0.00 C ATOM 1428 CE2 TYR A 86 10.239 22.408 -4.813 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.654 23.647 -4.661 1.00 0.00 C ATOM 1430 OH TYR A 86 9.816 24.340 -3.483 1.00 0.00 O ATOM 0 H TYR A 86 6.709 22.751 -8.327 1.00 0.00 H new ATOM 0 HA TYR A 86 7.761 20.156 -9.298 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.859 20.658 -8.362 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.396 22.142 -9.170 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.162 23.928 -7.661 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.535 20.746 -6.113 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.452 25.167 -5.561 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.822 21.981 -4.011 1.00 0.00 H new ATOM 0 HH TYR A 86 10.367 23.814 -2.867 1.00 0.00 H new ATOM 1440 N PHE A 87 8.021 19.417 -6.666 1.00 0.00 N ATOM 1441 CA PHE A 87 7.655 18.755 -5.419 1.00 0.00 C ATOM 1442 C PHE A 87 8.830 18.736 -4.447 1.00 0.00 C ATOM 1443 O PHE A 87 9.981 18.915 -4.845 1.00 0.00 O ATOM 1444 CB PHE A 87 7.184 17.326 -5.696 1.00 0.00 C ATOM 1445 CG PHE A 87 5.910 17.257 -6.489 1.00 0.00 C ATOM 1446 CD1 PHE A 87 5.892 17.609 -7.829 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.729 16.842 -5.893 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.721 17.546 -8.561 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.556 16.777 -6.620 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.551 17.131 -7.955 1.00 0.00 C ATOM 0 H PHE A 87 8.920 19.126 -7.050 1.00 0.00 H new ATOM 0 HA PHE A 87 6.840 19.318 -4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.967 16.792 -6.234 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.040 16.809 -4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.803 17.936 -8.307 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.726 16.566 -4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.721 17.821 -9.605 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.643 16.449 -6.145 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.634 17.083 -8.524 1.00 0.00 H new ATOM 1460 N GLU A 88 8.531 18.518 -3.170 1.00 0.00 N ATOM 1461 CA GLU A 88 9.563 18.477 -2.141 1.00 0.00 C ATOM 1462 C GLU A 88 9.434 17.217 -1.291 1.00 0.00 C ATOM 1463 O GLU A 88 10.105 17.073 -0.268 1.00 0.00 O ATOM 1464 CB GLU A 88 9.475 19.718 -1.249 1.00 0.00 C ATOM 1465 CG GLU A 88 10.327 20.878 -1.735 1.00 0.00 C ATOM 1466 CD GLU A 88 10.847 21.736 -0.598 1.00 0.00 C ATOM 1467 OE1 GLU A 88 10.136 21.868 0.420 1.00 0.00 O ATOM 1468 OE2 GLU A 88 11.966 22.276 -0.726 1.00 0.00 O ATOM 0 H GLU A 88 7.583 18.367 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 88 10.534 18.462 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.435 20.041 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.782 19.451 -0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.170 20.490 -2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.739 21.497 -2.413 1.00 0.00 H new ATOM 1475 N ASP A 89 8.568 16.306 -1.721 1.00 0.00 N ATOM 1476 CA ASP A 89 8.350 15.057 -1.001 1.00 0.00 C ATOM 1477 C ASP A 89 8.918 13.875 -1.780 1.00 0.00 C ATOM 1478 O ASP A 89 9.343 12.878 -1.195 1.00 0.00 O ATOM 1479 CB ASP A 89 6.858 14.845 -0.744 1.00 0.00 C ATOM 1480 CG ASP A 89 6.113 14.400 -1.987 1.00 0.00 C ATOM 1481 OD1 ASP A 89 6.341 14.997 -3.061 1.00 0.00 O ATOM 1482 OD2 ASP A 89 5.304 13.455 -1.887 1.00 0.00 O ATOM 0 H ASP A 89 8.005 16.409 -2.565 1.00 0.00 H new ATOM 0 HA ASP A 89 8.869 15.122 -0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.730 14.098 0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.421 15.773 -0.375 1.00 0.00 H new ATOM 1487 N LEU A 90 8.921 13.992 -3.104 1.00 0.00 N ATOM 1488 CA LEU A 90 9.436 12.932 -3.964 1.00 0.00 C ATOM 1489 C LEU A 90 10.842 12.520 -3.540 1.00 0.00 C ATOM 1490 O LEU A 90 11.262 11.386 -3.767 1.00 0.00 O ATOM 1491 CB LEU A 90 9.445 13.393 -5.423 1.00 0.00 C ATOM 1492 CG LEU A 90 8.109 13.883 -5.981 1.00 0.00 C ATOM 1493 CD1 LEU A 90 8.163 13.968 -7.498 1.00 0.00 C ATOM 1494 CD2 LEU A 90 6.977 12.968 -5.536 1.00 0.00 C ATOM 0 H LEU A 90 8.573 14.810 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 90 8.780 12.067 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.175 14.196 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.793 12.566 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 90 7.918 14.882 -5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.203 14.319 -7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.947 14.664 -7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.378 12.982 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.034 13.332 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.162 11.957 -5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.923 12.959 -4.447 1.00 0.00 H new ATOM 1506 N ASP A 91 11.563 13.448 -2.920 1.00 0.00 N ATOM 1507 CA ASP A 91 12.920 13.181 -2.460 1.00 0.00 C ATOM 1508 C ASP A 91 12.945 11.995 -1.501 1.00 0.00 C ATOM 1509 O ASP A 91 13.972 11.333 -1.342 1.00 0.00 O ATOM 1510 CB ASP A 91 13.503 14.419 -1.776 1.00 0.00 C ATOM 1511 CG ASP A 91 14.016 15.442 -2.771 1.00 0.00 C ATOM 1512 OD1 ASP A 91 15.026 15.158 -3.448 1.00 0.00 O ATOM 1513 OD2 ASP A 91 13.406 16.527 -2.872 1.00 0.00 O ATOM 0 H ASP A 91 11.230 14.392 -2.725 1.00 0.00 H new ATOM 0 HA ASP A 91 13.530 12.935 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.739 14.878 -1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.317 14.117 -1.117 1.00 0.00 H new ATOM 1518 N LEU A 92 11.810 11.733 -0.862 1.00 0.00 N ATOM 1519 CA LEU A 92 11.702 10.628 0.083 1.00 0.00 C ATOM 1520 C LEU A 92 10.670 9.608 -0.388 1.00 0.00 C ATOM 1521 O LEU A 92 9.489 9.914 -0.554 1.00 0.00 O ATOM 1522 CB LEU A 92 11.322 11.152 1.469 1.00 0.00 C ATOM 1523 CG LEU A 92 12.031 12.428 1.922 1.00 0.00 C ATOM 1524 CD1 LEU A 92 13.507 12.376 1.558 1.00 0.00 C ATOM 1525 CD2 LEU A 92 11.371 13.653 1.305 1.00 0.00 C ATOM 0 H LEU A 92 10.952 12.271 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 92 12.673 10.135 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.247 11.332 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.525 10.369 2.200 1.00 0.00 H new ATOM 0 HG LEU A 92 11.947 12.502 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.996 13.293 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.972 11.520 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.612 12.278 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.889 14.552 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.424 13.586 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.327 13.699 1.616 1.00 0.00 H new ATOM 1537 N PRO A 93 11.123 8.365 -0.607 1.00 0.00 N ATOM 1538 CA PRO A 93 10.255 7.273 -1.059 1.00 0.00 C ATOM 1539 C PRO A 93 9.272 6.830 0.019 1.00 0.00 C ATOM 1540 O PRO A 93 8.376 6.025 -0.235 1.00 0.00 O ATOM 1541 CB PRO A 93 11.240 6.147 -1.381 1.00 0.00 C ATOM 1542 CG PRO A 93 12.431 6.431 -0.532 1.00 0.00 C ATOM 1543 CD PRO A 93 12.519 7.928 -0.430 1.00 0.00 C ATOM 0 HA PRO A 93 9.634 7.569 -1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.814 5.170 -1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.501 6.140 -2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.324 5.978 0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.335 6.016 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.919 8.242 0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 93 13.171 8.345 -1.197 1.00 0.00 H new ATOM 1551 N THR A 94 9.445 7.361 1.226 1.00 0.00 N ATOM 1552 CA THR A 94 8.574 7.020 2.343 1.00 0.00 C ATOM 1553 C THR A 94 7.436 8.025 2.481 1.00 0.00 C ATOM 1554 O THR A 94 6.351 7.690 2.955 1.00 0.00 O ATOM 1555 CB THR A 94 9.356 6.962 3.669 1.00 0.00 C ATOM 1556 OG1 THR A 94 10.231 8.091 3.770 1.00 0.00 O ATOM 1557 CG2 THR A 94 10.164 5.677 3.765 1.00 0.00 C ATOM 0 H THR A 94 10.181 8.029 1.454 1.00 0.00 H new ATOM 0 HA THR A 94 8.160 6.034 2.130 1.00 0.00 H new ATOM 0 HB THR A 94 8.639 6.983 4.490 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.724 8.048 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.708 5.659 4.710 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.492 4.820 3.716 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.872 5.630 2.938 1.00 0.00 H new ATOM 1565 N LYS A 95 7.691 9.260 2.062 1.00 0.00 N ATOM 1566 CA LYS A 95 6.688 10.316 2.136 1.00 0.00 C ATOM 1567 C LYS A 95 5.420 9.916 1.387 1.00 0.00 C ATOM 1568 O LYS A 95 4.335 10.426 1.666 1.00 0.00 O ATOM 1569 CB LYS A 95 7.245 11.619 1.558 1.00 0.00 C ATOM 1570 CG LYS A 95 8.168 12.360 2.509 1.00 0.00 C ATOM 1571 CD LYS A 95 7.400 12.965 3.673 1.00 0.00 C ATOM 1572 CE LYS A 95 8.340 13.484 4.750 1.00 0.00 C ATOM 1573 NZ LYS A 95 8.273 12.660 5.989 1.00 0.00 N ATOM 0 H LYS A 95 8.584 9.554 1.667 1.00 0.00 H new ATOM 0 HA LYS A 95 6.436 10.470 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.787 11.397 0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.415 12.272 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.926 11.675 2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.692 13.148 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.773 13.780 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.734 12.215 4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.362 13.486 4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.086 14.517 4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.928 13.046 6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.304 12.678 6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.540 11.679 5.769 1.00 0.00 H new ATOM 1587 N LEU A 96 5.565 8.999 0.437 1.00 0.00 N ATOM 1588 CA LEU A 96 4.431 8.529 -0.352 1.00 0.00 C ATOM 1589 C LEU A 96 3.770 7.324 0.310 1.00 0.00 C ATOM 1590 O LEU A 96 2.544 7.238 0.384 1.00 0.00 O ATOM 1591 CB LEU A 96 4.885 8.163 -1.766 1.00 0.00 C ATOM 1592 CG LEU A 96 5.676 9.236 -2.516 1.00 0.00 C ATOM 1593 CD1 LEU A 96 5.093 10.615 -2.247 1.00 0.00 C ATOM 1594 CD2 LEU A 96 7.145 9.190 -2.121 1.00 0.00 C ATOM 0 H LEU A 96 6.456 8.566 0.194 1.00 0.00 H new ATOM 0 HA LEU A 96 3.700 9.336 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.497 7.263 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.003 7.911 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 96 5.601 9.034 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.669 11.365 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.056 10.643 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.136 10.826 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.692 9.960 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.239 9.366 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.557 8.211 -2.366 1.00 0.00 H new ATOM 1606 N LEU A 97 4.590 6.396 0.791 1.00 0.00 N ATOM 1607 CA LEU A 97 4.085 5.196 1.449 1.00 0.00 C ATOM 1608 C LEU A 97 3.320 5.553 2.720 1.00 0.00 C ATOM 1609 O LEU A 97 2.381 4.859 3.106 1.00 0.00 O ATOM 1610 CB LEU A 97 5.240 4.251 1.785 1.00 0.00 C ATOM 1611 CG LEU A 97 5.628 3.252 0.694 1.00 0.00 C ATOM 1612 CD1 LEU A 97 4.437 2.387 0.313 1.00 0.00 C ATOM 1613 CD2 LEU A 97 6.172 3.981 -0.526 1.00 0.00 C ATOM 0 H LEU A 97 5.607 6.451 0.738 1.00 0.00 H new ATOM 0 HA LEU A 97 3.401 4.696 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.116 4.852 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.977 3.693 2.684 1.00 0.00 H new ATOM 0 HG LEU A 97 6.411 2.603 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.733 1.683 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.092 1.837 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.631 3.020 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.443 3.255 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.410 4.654 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.053 4.556 -0.243 1.00 0.00 H new