USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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 1 MET CE :methyl -158:sc= 0 (180deg=-0.236) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.28 (180deg=1.23) USER MOD Single : A 8 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 95:sc= 0.79 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0863 K(o=-0.086,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 0.652 (180deg=0.489) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= -0.753 (180deg=-1.66!) USER MOD Single : A 34 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.053) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= -0.09 (180deg=-0.634) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 58 ASN : amide:sc= -0.677 X(o=-0.68,f=-1.1) USER MOD Single : A 59 CYS SG : rot 68:sc= -0.368! USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 64 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.75) USER MOD Single : A 68 HIS :FLIP no HE2:sc= -0.0391 F(o=-0.68,f=-0.039) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0293 F(o=-1.5!,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.501 -0.754 -0.255 1.00 0.00 N ATOM 2 CA MET A 1 1.802 -1.238 -0.753 1.00 0.00 C ATOM 3 C MET A 1 1.590 -2.233 -1.885 1.00 0.00 C ATOM 4 O MET A 1 0.783 -3.156 -1.766 1.00 0.00 O ATOM 5 CB MET A 1 2.596 -1.897 0.382 1.00 0.00 C ATOM 6 CG MET A 1 4.010 -2.300 -0.011 1.00 0.00 C ATOM 7 SD MET A 1 4.877 -3.175 1.307 1.00 0.00 S ATOM 8 CE MET A 1 6.495 -3.374 0.565 1.00 0.00 C ATOM 0 H1 MET A 1 0.643 0.115 0.299 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.126 -0.553 -1.060 1.00 0.00 H new ATOM 0 H3 MET A 1 0.067 -1.482 0.348 1.00 0.00 H new ATOM 0 HA MET A 1 2.370 -0.387 -1.129 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.646 -1.208 1.226 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.058 -2.781 0.724 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.970 -2.934 -0.897 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.575 -1.408 -0.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.017 -4.201 1.046 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.384 -3.585 -0.499 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.070 -2.457 0.695 1.00 0.00 H new ATOM 20 N ILE A 2 2.305 -2.043 -2.975 1.00 0.00 N ATOM 21 CA ILE A 2 2.195 -2.920 -4.129 1.00 0.00 C ATOM 22 C ILE A 2 3.467 -3.740 -4.288 1.00 0.00 C ATOM 23 O ILE A 2 4.526 -3.200 -4.594 1.00 0.00 O ATOM 24 CB ILE A 2 1.948 -2.113 -5.432 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.597 -1.393 -5.378 1.00 0.00 C ATOM 26 CG2 ILE A 2 2.028 -3.019 -6.658 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.590 -2.318 -5.440 1.00 0.00 C ATOM 0 H ILE A 2 2.975 -1.282 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 2 1.345 -3.580 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 2 2.732 -1.361 -5.516 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.543 -0.810 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.539 -0.687 -6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.851 -2.430 -7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.017 -3.474 -6.710 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.273 -3.801 -6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.509 -1.734 -5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.563 -2.883 -6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.558 -3.008 -4.597 1.00 0.00 H new ATOM 39 N VAL A 3 3.368 -5.034 -4.066 1.00 0.00 N ATOM 40 CA VAL A 3 4.514 -5.905 -4.218 1.00 0.00 C ATOM 41 C VAL A 3 4.375 -6.745 -5.477 1.00 0.00 C ATOM 42 O VAL A 3 3.271 -7.143 -5.852 1.00 0.00 O ATOM 43 CB VAL A 3 4.727 -6.819 -2.983 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.003 -5.984 -1.746 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.529 -7.727 -2.753 1.00 0.00 C ATOM 0 H VAL A 3 2.509 -5.504 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 3 5.394 -5.268 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 3 5.593 -7.451 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.150 -6.641 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.901 -5.386 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.157 -5.324 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.710 -8.355 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.639 -7.120 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.377 -8.358 -3.629 1.00 0.00 H new ATOM 55 N PHE A 4 5.481 -6.994 -6.136 1.00 0.00 N ATOM 56 CA PHE A 4 5.473 -7.765 -7.365 1.00 0.00 C ATOM 57 C PHE A 4 5.594 -9.240 -7.044 1.00 0.00 C ATOM 58 O PHE A 4 6.515 -9.657 -6.342 1.00 0.00 O ATOM 59 CB PHE A 4 6.613 -7.311 -8.278 1.00 0.00 C ATOM 60 CG PHE A 4 6.634 -5.825 -8.514 1.00 0.00 C ATOM 61 CD1 PHE A 4 7.690 -5.054 -8.053 1.00 0.00 C ATOM 62 CD2 PHE A 4 5.596 -5.199 -9.186 1.00 0.00 C ATOM 63 CE1 PHE A 4 7.710 -3.689 -8.258 1.00 0.00 C ATOM 64 CE2 PHE A 4 5.613 -3.834 -9.395 1.00 0.00 C ATOM 65 CZ PHE A 4 6.671 -3.077 -8.931 1.00 0.00 C ATOM 0 H PHE A 4 6.404 -6.674 -5.843 1.00 0.00 H new ATOM 0 HA PHE A 4 4.531 -7.600 -7.889 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.563 -7.615 -7.839 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.526 -7.822 -9.237 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.506 -5.527 -7.527 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.765 -5.785 -9.550 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.538 -3.100 -7.892 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.799 -3.358 -9.921 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.686 -2.009 -9.094 1.00 0.00 H new ATOM 75 N VAL A 5 4.664 -10.026 -7.547 1.00 0.00 N ATOM 76 CA VAL A 5 4.633 -11.446 -7.259 1.00 0.00 C ATOM 77 C VAL A 5 4.459 -12.266 -8.526 1.00 0.00 C ATOM 78 O VAL A 5 3.637 -11.947 -9.372 1.00 0.00 O ATOM 79 CB VAL A 5 3.478 -11.772 -6.280 1.00 0.00 C ATOM 80 CG1 VAL A 5 3.290 -13.269 -6.115 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.724 -11.116 -4.936 1.00 0.00 C ATOM 0 H VAL A 5 3.916 -9.703 -8.161 1.00 0.00 H new ATOM 0 HA VAL A 5 5.588 -11.707 -6.803 1.00 0.00 H new ATOM 0 HB VAL A 5 2.559 -11.370 -6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.471 -13.459 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.057 -13.715 -7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.207 -13.710 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.904 -11.355 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.660 -11.486 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.786 -10.035 -5.064 1.00 0.00 H new ATOM 91 N ARG A 6 5.252 -13.307 -8.652 1.00 0.00 N ATOM 92 CA ARG A 6 5.142 -14.221 -9.762 1.00 0.00 C ATOM 93 C ARG A 6 4.560 -15.528 -9.277 1.00 0.00 C ATOM 94 O ARG A 6 5.257 -16.340 -8.667 1.00 0.00 O ATOM 95 CB ARG A 6 6.499 -14.454 -10.416 1.00 0.00 C ATOM 96 CG ARG A 6 7.109 -13.197 -10.988 1.00 0.00 C ATOM 97 CD ARG A 6 8.408 -13.488 -11.717 1.00 0.00 C ATOM 98 NE ARG A 6 8.977 -12.286 -12.332 1.00 0.00 N ATOM 99 CZ ARG A 6 10.155 -12.248 -12.958 1.00 0.00 C ATOM 100 NH1 ARG A 6 10.880 -13.357 -13.082 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 10.600 -11.105 -13.462 1.00 0.00 N ATOM 0 H ARG A 6 5.990 -13.542 -7.988 1.00 0.00 H new ATOM 0 HA ARG A 6 4.483 -13.785 -10.513 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.182 -14.878 -9.680 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.390 -15.191 -11.211 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.403 -12.729 -11.674 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.294 -12.484 -10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.128 -13.912 -11.018 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.231 -14.239 -12.487 1.00 0.00 H new ATOM 0 HE ARG A 6 8.438 -11.422 -12.278 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.535 -14.237 -12.698 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.780 -13.327 -13.561 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.042 -10.256 -13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.500 -11.075 -13.941 1.00 0.00 H new ATOM 115 N PHE A 7 3.279 -15.713 -9.515 1.00 0.00 N ATOM 116 CA PHE A 7 2.603 -16.909 -9.075 1.00 0.00 C ATOM 117 C PHE A 7 2.761 -18.016 -10.107 1.00 0.00 C ATOM 118 O PHE A 7 2.167 -17.964 -11.189 1.00 0.00 O ATOM 119 CB PHE A 7 1.122 -16.608 -8.820 1.00 0.00 C ATOM 120 CG PHE A 7 0.374 -17.725 -8.156 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.665 -18.087 -6.855 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.626 -18.408 -8.829 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.022 -19.107 -6.234 1.00 0.00 C ATOM 124 CE2 PHE A 7 -1.316 -19.432 -8.212 1.00 0.00 C ATOM 125 CZ PHE A 7 -1.012 -19.782 -6.914 1.00 0.00 C ATOM 0 H PHE A 7 2.686 -15.048 -10.012 1.00 0.00 H new ATOM 0 HA PHE A 7 3.053 -17.249 -8.142 1.00 0.00 H new ATOM 0 HB2 PHE A 7 1.046 -15.715 -8.199 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.641 -16.378 -9.770 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.442 -17.563 -6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.868 -18.137 -9.846 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.215 -19.377 -5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.093 -19.958 -8.746 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.549 -20.584 -6.431 1.00 0.00 H new ATOM 135 N ASN A 8 3.558 -19.017 -9.764 1.00 0.00 N ATOM 136 CA ASN A 8 3.810 -20.137 -10.655 1.00 0.00 C ATOM 137 C ASN A 8 2.637 -21.098 -10.634 1.00 0.00 C ATOM 138 O ASN A 8 2.595 -22.032 -9.825 1.00 0.00 O ATOM 139 CB ASN A 8 5.110 -20.859 -10.281 1.00 0.00 C ATOM 140 CG ASN A 8 5.476 -21.964 -11.268 1.00 0.00 C ATOM 141 OD1 ASN A 8 4.969 -23.158 -11.040 1.00 0.00 O flip ATOM 142 ND2 ASN A 8 6.212 -21.736 -12.228 1.00 0.00 N flip ATOM 0 H ASN A 8 4.044 -19.075 -8.869 1.00 0.00 H new ATOM 0 HA ASN A 8 3.925 -19.749 -11.667 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.923 -20.134 -10.236 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.009 -21.287 -9.284 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.586 -20.798 -12.372 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.448 -22.485 -12.879 1.00 0.00 H new ATOM 188 N GLY A 12 2.246 -13.708 -13.137 1.00 0.00 N ATOM 189 CA GLY A 12 2.761 -12.750 -12.187 1.00 0.00 C ATOM 190 C GLY A 12 1.885 -11.522 -12.109 1.00 0.00 C ATOM 191 O GLY A 12 1.563 -10.922 -13.129 1.00 0.00 O ATOM 0 HA2 GLY A 12 2.829 -13.213 -11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.772 -12.460 -12.473 1.00 0.00 H new ATOM 195 N PHE A 13 1.499 -11.149 -10.910 1.00 0.00 N ATOM 196 CA PHE A 13 0.617 -10.023 -10.717 1.00 0.00 C ATOM 197 C PHE A 13 1.041 -9.217 -9.498 1.00 0.00 C ATOM 198 O PHE A 13 1.626 -9.762 -8.558 1.00 0.00 O ATOM 199 CB PHE A 13 -0.844 -10.500 -10.574 1.00 0.00 C ATOM 200 CG PHE A 13 -1.121 -11.341 -9.350 1.00 0.00 C ATOM 201 CD1 PHE A 13 -1.820 -10.810 -8.276 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.691 -12.658 -9.277 1.00 0.00 C ATOM 203 CE1 PHE A 13 -2.083 -11.575 -7.157 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.951 -13.426 -8.159 1.00 0.00 C ATOM 205 CZ PHE A 13 -1.649 -12.883 -7.098 1.00 0.00 C ATOM 0 H PHE A 13 1.785 -11.614 -10.048 1.00 0.00 H new ATOM 0 HA PHE A 13 0.682 -9.378 -11.593 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.496 -9.627 -10.552 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.112 -11.075 -11.460 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.162 -9.786 -8.315 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.146 -13.088 -10.105 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.629 -11.149 -6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.609 -14.449 -8.114 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.855 -13.482 -6.223 1.00 0.00 H new ATOM 215 N PRO A 14 0.787 -7.907 -9.507 1.00 0.00 N ATOM 216 CA PRO A 14 1.090 -7.048 -8.370 1.00 0.00 C ATOM 217 C PRO A 14 0.099 -7.274 -7.229 1.00 0.00 C ATOM 218 O PRO A 14 -1.114 -7.130 -7.405 1.00 0.00 O ATOM 219 CB PRO A 14 0.940 -5.635 -8.940 1.00 0.00 C ATOM 220 CG PRO A 14 -0.015 -5.777 -10.074 1.00 0.00 C ATOM 221 CD PRO A 14 0.201 -7.156 -10.637 1.00 0.00 C ATOM 0 HA PRO A 14 2.077 -7.240 -7.950 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.560 -4.944 -8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.899 -5.242 -9.278 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.043 -5.652 -9.735 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.165 -5.015 -10.832 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.735 -7.603 -10.973 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.871 -7.137 -11.496 1.00 0.00 H new ATOM 229 N VAL A 15 0.609 -7.638 -6.076 1.00 0.00 N ATOM 230 CA VAL A 15 -0.234 -7.888 -4.929 1.00 0.00 C ATOM 231 C VAL A 15 -0.337 -6.638 -4.071 1.00 0.00 C ATOM 232 O VAL A 15 0.669 -6.118 -3.576 1.00 0.00 O ATOM 233 CB VAL A 15 0.276 -9.079 -4.081 1.00 0.00 C ATOM 234 CG1 VAL A 15 -0.608 -9.295 -2.862 1.00 0.00 C ATOM 235 CG2 VAL A 15 0.322 -10.339 -4.927 1.00 0.00 C ATOM 0 H VAL A 15 1.606 -7.768 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.223 -8.153 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 15 1.283 -8.847 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.229 -10.137 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.602 -8.397 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.628 -9.506 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.682 -11.171 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.678 -10.566 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.995 -10.186 -5.771 1.00 0.00 H new ATOM 245 N GLU A 16 -1.549 -6.152 -3.921 1.00 0.00 N ATOM 246 CA GLU A 16 -1.810 -4.952 -3.158 1.00 0.00 C ATOM 247 C GLU A 16 -2.097 -5.287 -1.701 1.00 0.00 C ATOM 248 O GLU A 16 -3.126 -5.888 -1.380 1.00 0.00 O ATOM 249 CB GLU A 16 -2.983 -4.197 -3.772 1.00 0.00 C ATOM 250 CG GLU A 16 -3.354 -2.919 -3.050 1.00 0.00 C ATOM 251 CD GLU A 16 -4.652 -2.344 -3.560 1.00 0.00 C ATOM 252 OE1 GLU A 16 -5.721 -2.739 -3.046 1.00 0.00 O ATOM 253 OE2 GLU A 16 -4.622 -1.512 -4.486 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.383 -6.578 -4.325 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.923 -4.319 -3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.742 -3.957 -4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.852 -4.854 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.439 -3.117 -1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.557 -2.186 -3.176 1.00 0.00 H new ATOM 260 N VAL A 17 -1.185 -4.898 -0.833 1.00 0.00 N ATOM 261 CA VAL A 17 -1.322 -5.137 0.595 1.00 0.00 C ATOM 262 C VAL A 17 -1.164 -3.843 1.370 1.00 0.00 C ATOM 263 O VAL A 17 -0.996 -2.770 0.783 1.00 0.00 O ATOM 264 CB VAL A 17 -0.292 -6.169 1.112 1.00 0.00 C ATOM 265 CG1 VAL A 17 -0.612 -7.550 0.578 1.00 0.00 C ATOM 266 CG2 VAL A 17 1.130 -5.762 0.735 1.00 0.00 C ATOM 0 H VAL A 17 -0.329 -4.408 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.321 -5.542 0.753 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.356 -6.195 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.122 -8.264 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.607 -7.847 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.582 -7.535 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.833 -6.505 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.215 -5.699 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.359 -4.791 1.174 1.00 0.00 H new ATOM 276 N ASP A 18 -1.218 -3.945 2.679 1.00 0.00 N ATOM 277 CA ASP A 18 -1.080 -2.791 3.548 1.00 0.00 C ATOM 278 C ASP A 18 0.384 -2.634 3.943 1.00 0.00 C ATOM 279 O ASP A 18 1.164 -3.581 3.815 1.00 0.00 O ATOM 280 CB ASP A 18 -1.941 -2.988 4.800 1.00 0.00 C ATOM 281 CG ASP A 18 -2.172 -1.711 5.569 1.00 0.00 C ATOM 282 OD1 ASP A 18 -3.209 -1.054 5.331 1.00 0.00 O ATOM 283 OD2 ASP A 18 -1.331 -1.357 6.415 1.00 0.00 O1- ATOM 0 H ASP A 18 -1.358 -4.826 3.173 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.412 -1.893 3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.904 -3.408 4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.460 -3.716 5.453 1.00 0.00 H new ATOM 288 N SER A 19 0.761 -1.458 4.423 1.00 0.00 N ATOM 289 CA SER A 19 2.130 -1.231 4.867 1.00 0.00 C ATOM 290 C SER A 19 2.443 -2.114 6.074 1.00 0.00 C ATOM 291 O SER A 19 3.598 -2.422 6.352 1.00 0.00 O ATOM 292 CB SER A 19 2.348 0.239 5.221 1.00 0.00 C ATOM 293 OG SER A 19 1.984 1.087 4.142 1.00 0.00 O ATOM 0 H SER A 19 0.144 -0.651 4.515 1.00 0.00 H new ATOM 0 HA SER A 19 2.804 -1.491 4.051 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.760 0.495 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.395 0.402 5.478 1.00 0.00 H new ATOM 0 HG SER A 19 2.132 2.022 4.396 1.00 0.00 H new ATOM 299 N ASP A 20 1.404 -2.520 6.785 1.00 0.00 N ATOM 300 CA ASP A 20 1.571 -3.388 7.931 1.00 0.00 C ATOM 301 C ASP A 20 1.001 -4.764 7.627 1.00 0.00 C ATOM 302 O ASP A 20 -0.017 -5.176 8.181 1.00 0.00 O ATOM 303 CB ASP A 20 0.916 -2.792 9.180 1.00 0.00 C ATOM 304 CG ASP A 20 1.209 -3.602 10.429 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.354 -3.536 10.929 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.304 -4.301 10.918 1.00 0.00 O1- ATOM 0 H ASP A 20 0.438 -2.261 6.586 1.00 0.00 H new ATOM 0 HA ASP A 20 2.637 -3.485 8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.271 -1.771 9.321 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.162 -2.737 9.030 1.00 0.00 H new ATOM 311 N THR A 21 1.628 -5.447 6.703 1.00 0.00 N ATOM 312 CA THR A 21 1.212 -6.784 6.330 1.00 0.00 C ATOM 313 C THR A 21 2.316 -7.780 6.653 1.00 0.00 C ATOM 314 O THR A 21 3.398 -7.717 6.081 1.00 0.00 O ATOM 315 CB THR A 21 0.875 -6.861 4.823 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.078 -5.850 4.491 1.00 0.00 O ATOM 317 CG2 THR A 21 0.309 -8.225 4.449 1.00 0.00 C ATOM 0 H THR A 21 2.437 -5.099 6.188 1.00 0.00 H new ATOM 0 HA THR A 21 0.316 -7.030 6.899 1.00 0.00 H new ATOM 0 HB THR A 21 1.798 -6.706 4.264 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.390 -5.057 4.156 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.083 -8.245 3.383 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.042 -8.999 4.679 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.603 -8.409 5.017 1.00 0.00 H new ATOM 325 N SER A 22 2.055 -8.672 7.589 1.00 0.00 N ATOM 326 CA SER A 22 3.024 -9.684 7.952 1.00 0.00 C ATOM 327 C SER A 22 3.179 -10.693 6.815 1.00 0.00 C ATOM 328 O SER A 22 2.236 -10.926 6.065 1.00 0.00 O ATOM 329 CB SER A 22 2.590 -10.388 9.236 1.00 0.00 C ATOM 330 OG SER A 22 2.405 -9.452 10.293 1.00 0.00 O ATOM 0 H SER A 22 1.180 -8.715 8.111 1.00 0.00 H new ATOM 0 HA SER A 22 3.988 -9.206 8.126 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.662 -10.932 9.061 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.341 -11.123 9.524 1.00 0.00 H new ATOM 0 HG SER A 22 2.126 -9.926 11.104 1.00 0.00 H new ATOM 336 N ILE A 23 4.371 -11.272 6.683 1.00 0.00 N ATOM 337 CA ILE A 23 4.654 -12.247 5.623 1.00 0.00 C ATOM 338 C ILE A 23 3.649 -13.411 5.656 1.00 0.00 C ATOM 339 O ILE A 23 3.187 -13.872 4.609 1.00 0.00 O ATOM 340 CB ILE A 23 6.110 -12.792 5.720 1.00 0.00 C ATOM 341 CG1 ILE A 23 7.121 -11.630 5.729 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.419 -13.753 4.568 1.00 0.00 C ATOM 343 CD1 ILE A 23 7.076 -10.756 4.487 1.00 0.00 C ATOM 0 H ILE A 23 5.162 -11.084 7.299 1.00 0.00 H new ATOM 0 HA ILE A 23 4.550 -11.725 4.672 1.00 0.00 H new ATOM 0 HB ILE A 23 6.199 -13.344 6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.935 -11.008 6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.126 -12.038 5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.442 -14.117 4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.729 -14.596 4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.306 -13.231 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.818 -9.962 4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.294 -11.362 3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.084 -10.316 4.388 1.00 0.00 H new ATOM 355 N PHE A 24 3.299 -13.863 6.861 1.00 0.00 N ATOM 356 CA PHE A 24 2.308 -14.927 7.026 1.00 0.00 C ATOM 357 C PHE A 24 0.961 -14.484 6.471 1.00 0.00 C ATOM 358 O PHE A 24 0.318 -15.211 5.711 1.00 0.00 O ATOM 359 CB PHE A 24 2.159 -15.295 8.504 1.00 0.00 C ATOM 360 CG PHE A 24 1.282 -16.492 8.739 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.755 -17.769 8.490 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.015 -16.341 9.203 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.954 -18.873 8.697 1.00 0.00 C ATOM 364 CE2 PHE A 24 -0.822 -17.441 9.414 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.337 -18.710 9.161 1.00 0.00 C ATOM 0 H PHE A 24 3.686 -13.509 7.736 1.00 0.00 H new ATOM 0 HA PHE A 24 2.651 -15.803 6.476 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.146 -15.490 8.923 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.747 -14.442 9.043 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.764 -17.903 8.129 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.399 -15.351 9.402 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.336 -19.863 8.497 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.831 -17.310 9.776 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.966 -19.572 9.326 1.00 0.00 H new ATOM 375 N GLN A 25 0.549 -13.279 6.845 1.00 0.00 N ATOM 376 CA GLN A 25 -0.710 -12.722 6.380 1.00 0.00 C ATOM 377 C GLN A 25 -0.671 -12.531 4.874 1.00 0.00 C ATOM 378 O GLN A 25 -1.632 -12.822 4.184 1.00 0.00 O ATOM 379 CB GLN A 25 -1.002 -11.390 7.075 1.00 0.00 C ATOM 380 CG GLN A 25 -1.124 -11.500 8.587 1.00 0.00 C ATOM 381 CD GLN A 25 -2.233 -12.439 9.017 1.00 0.00 C ATOM 382 OE1 GLN A 25 -2.015 -13.637 9.197 1.00 0.00 O ATOM 383 NE2 GLN A 25 -3.422 -11.907 9.185 1.00 0.00 N ATOM 0 H GLN A 25 1.073 -12.668 7.472 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.509 -13.420 6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.207 -10.684 6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.928 -10.977 6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.177 -11.849 8.999 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.308 -10.511 9.006 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.561 -10.909 9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.206 -12.492 9.475 1.00 0.00 H new ATOM 392 N LEU A 26 0.463 -12.054 4.381 1.00 0.00 N ATOM 393 CA LEU A 26 0.676 -11.843 2.953 1.00 0.00 C ATOM 394 C LEU A 26 0.466 -13.142 2.184 1.00 0.00 C ATOM 395 O LEU A 26 -0.231 -13.168 1.168 1.00 0.00 O ATOM 396 CB LEU A 26 2.091 -11.310 2.715 1.00 0.00 C ATOM 397 CG LEU A 26 2.549 -11.216 1.259 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.684 -10.246 0.477 1.00 0.00 C ATOM 399 CD2 LEU A 26 4.001 -10.794 1.200 1.00 0.00 C ATOM 0 H LEU A 26 1.264 -11.801 4.960 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.047 -11.111 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.161 -10.317 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.791 -11.950 3.252 1.00 0.00 H new ATOM 0 HG LEU A 26 2.446 -12.200 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.032 -10.199 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.648 -10.586 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.749 -9.256 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.319 -10.730 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.116 -9.820 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.615 -11.528 1.722 1.00 0.00 H new ATOM 411 N LYS A 27 1.065 -14.213 2.685 1.00 0.00 N ATOM 412 CA LYS A 27 0.927 -15.525 2.077 1.00 0.00 C ATOM 413 C LYS A 27 -0.542 -15.938 2.046 1.00 0.00 C ATOM 414 O LYS A 27 -1.040 -16.439 1.037 1.00 0.00 O ATOM 415 CB LYS A 27 1.749 -16.555 2.858 1.00 0.00 C ATOM 416 CG LYS A 27 1.688 -17.955 2.280 1.00 0.00 C ATOM 417 CD LYS A 27 2.503 -18.934 3.102 1.00 0.00 C ATOM 418 CE LYS A 27 2.473 -20.316 2.481 1.00 0.00 C ATOM 419 NZ LYS A 27 3.259 -21.301 3.257 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.655 -14.196 3.517 1.00 0.00 H new ATOM 0 HA LYS A 27 1.300 -15.480 1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.789 -16.229 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.395 -16.582 3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.651 -18.288 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.059 -17.943 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.533 -18.585 3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.110 -18.978 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.440 -20.656 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.864 -20.263 1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.451 -22.135 2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.159 -20.872 3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.720 -21.589 4.099 1.00 0.00 H new ATOM 433 N GLU A 28 -1.226 -15.701 3.155 1.00 0.00 N ATOM 434 CA GLU A 28 -2.637 -16.016 3.277 1.00 0.00 C ATOM 435 C GLU A 28 -3.477 -15.155 2.326 1.00 0.00 C ATOM 436 O GLU A 28 -4.470 -15.625 1.764 1.00 0.00 O ATOM 437 CB GLU A 28 -3.087 -15.814 4.720 1.00 0.00 C ATOM 438 CG GLU A 28 -3.494 -17.094 5.424 1.00 0.00 C ATOM 439 CD GLU A 28 -4.864 -17.567 4.996 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.951 -18.538 4.225 1.00 0.00 O ATOM 441 OE2 GLU A 28 -5.868 -16.954 5.423 1.00 0.00 O1- ATOM 0 H GLU A 28 -0.818 -15.286 3.993 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.785 -17.060 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.278 -15.345 5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.928 -15.121 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.760 -17.872 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.487 -16.932 6.502 1.00 0.00 H new ATOM 448 N VAL A 29 -3.068 -13.897 2.150 1.00 0.00 N ATOM 449 CA VAL A 29 -3.750 -12.979 1.241 1.00 0.00 C ATOM 450 C VAL A 29 -3.674 -13.494 -0.188 1.00 0.00 C ATOM 451 O VAL A 29 -4.688 -13.590 -0.874 1.00 0.00 O ATOM 452 CB VAL A 29 -3.151 -11.546 1.304 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.734 -10.664 0.205 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.406 -10.918 2.666 1.00 0.00 C ATOM 0 H VAL A 29 -2.264 -13.491 2.628 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.791 -12.927 1.560 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.075 -11.626 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.299 -9.667 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.505 -11.097 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.815 -10.597 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.979 -9.915 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.480 -10.860 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.942 -11.528 3.441 1.00 0.00 H new ATOM 464 N VAL A 30 -2.472 -13.837 -0.625 1.00 0.00 N ATOM 465 CA VAL A 30 -2.273 -14.355 -1.972 1.00 0.00 C ATOM 466 C VAL A 30 -3.038 -15.664 -2.151 1.00 0.00 C ATOM 467 O VAL A 30 -3.653 -15.902 -3.195 1.00 0.00 O ATOM 468 CB VAL A 30 -0.772 -14.587 -2.275 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.576 -15.097 -3.700 1.00 0.00 C ATOM 470 CG2 VAL A 30 0.022 -13.306 -2.056 1.00 0.00 C ATOM 0 H VAL A 30 -1.620 -13.767 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.652 -13.610 -2.671 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.402 -15.347 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.486 -15.252 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.108 -16.040 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.966 -14.364 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.074 -13.488 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.356 -12.526 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.084 -12.985 -1.020 1.00 0.00 H new ATOM 480 N ALA A 31 -3.022 -16.487 -1.110 1.00 0.00 N ATOM 481 CA ALA A 31 -3.705 -17.767 -1.128 1.00 0.00 C ATOM 482 C ALA A 31 -5.205 -17.603 -1.359 1.00 0.00 C ATOM 483 O ALA A 31 -5.772 -18.213 -2.261 1.00 0.00 O ATOM 484 CB ALA A 31 -3.450 -18.516 0.166 1.00 0.00 C ATOM 0 H ALA A 31 -2.537 -16.284 -0.236 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.304 -18.345 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.968 -19.475 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.380 -18.685 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.819 -17.927 1.006 1.00 0.00 H new ATOM 490 N LYS A 32 -5.839 -16.765 -0.556 1.00 0.00 N ATOM 491 CA LYS A 32 -7.280 -16.555 -0.663 1.00 0.00 C ATOM 492 C LYS A 32 -7.644 -15.791 -1.934 1.00 0.00 C ATOM 493 O LYS A 32 -8.684 -16.047 -2.543 1.00 0.00 O ATOM 494 CB LYS A 32 -7.814 -15.812 0.566 1.00 0.00 C ATOM 495 CG LYS A 32 -7.204 -14.434 0.770 1.00 0.00 C ATOM 496 CD LYS A 32 -7.711 -13.751 2.035 1.00 0.00 C ATOM 497 CE LYS A 32 -6.985 -14.235 3.300 1.00 0.00 C ATOM 498 NZ LYS A 32 -7.303 -15.645 3.651 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.384 -16.219 0.176 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.747 -17.538 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.895 -15.709 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.625 -16.416 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.119 -14.525 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.432 -13.808 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.583 -12.673 1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.780 -13.937 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.909 -14.137 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.254 -13.589 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.000 -15.837 4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.328 -15.800 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.804 -16.286 3.001 1.00 0.00 H new ATOM 512 N ARG A 33 -6.773 -14.872 -2.336 1.00 0.00 N ATOM 513 CA ARG A 33 -7.017 -14.033 -3.503 1.00 0.00 C ATOM 514 C ARG A 33 -6.995 -14.854 -4.790 1.00 0.00 C ATOM 515 O ARG A 33 -7.667 -14.524 -5.758 1.00 0.00 O ATOM 516 CB ARG A 33 -5.971 -12.915 -3.579 1.00 0.00 C ATOM 517 CG ARG A 33 -6.296 -11.818 -4.583 1.00 0.00 C ATOM 518 CD ARG A 33 -5.348 -10.638 -4.435 1.00 0.00 C ATOM 519 NE ARG A 33 -5.626 -9.575 -5.406 1.00 0.00 N ATOM 520 CZ ARG A 33 -5.849 -8.289 -5.086 1.00 0.00 C ATOM 521 NH1 ARG A 33 -5.876 -7.905 -3.813 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -6.054 -7.391 -6.043 1.00 0.00 N ATOM 0 H ARG A 33 -5.886 -14.689 -1.867 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.008 -13.593 -3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.864 -12.467 -2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.007 -13.353 -3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.229 -12.217 -5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.323 -11.483 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.428 -10.235 -3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.321 -10.982 -4.560 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.652 -9.829 -6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.727 -8.589 -3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.046 -6.927 -3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.042 -7.677 -7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.223 -6.415 -5.799 1.00 0.00 H new ATOM 536 N GLN A 34 -6.213 -15.921 -4.790 1.00 0.00 N ATOM 537 CA GLN A 34 -6.086 -16.775 -5.964 1.00 0.00 C ATOM 538 C GLN A 34 -6.871 -18.073 -5.804 1.00 0.00 C ATOM 539 O GLN A 34 -6.987 -18.860 -6.748 1.00 0.00 O ATOM 540 CB GLN A 34 -4.614 -17.065 -6.232 1.00 0.00 C ATOM 541 CG GLN A 34 -3.825 -15.827 -6.622 1.00 0.00 C ATOM 542 CD GLN A 34 -4.179 -15.330 -8.010 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.562 -15.720 -9.000 1.00 0.00 O ATOM 544 NE2 GLN A 34 -5.179 -14.473 -8.095 1.00 0.00 N ATOM 0 H GLN A 34 -5.655 -16.218 -3.990 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.509 -16.246 -6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.169 -17.507 -5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.535 -17.805 -7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.014 -15.036 -5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.759 -16.051 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.667 -14.173 -7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.464 -14.111 -9.005 1.00 0.00 H new ATOM 553 N GLY A 35 -7.411 -18.287 -4.616 1.00 0.00 N ATOM 554 CA GLY A 35 -8.182 -19.485 -4.354 1.00 0.00 C ATOM 555 C GLY A 35 -7.312 -20.718 -4.298 1.00 0.00 C ATOM 556 O GLY A 35 -7.522 -21.678 -5.049 1.00 0.00 O ATOM 0 H GLY A 35 -7.329 -17.650 -3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.714 -19.374 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.936 -19.608 -5.132 1.00 0.00 H new ATOM 560 N VAL A 36 -6.321 -20.683 -3.430 1.00 0.00 N ATOM 561 CA VAL A 36 -5.403 -21.792 -3.255 1.00 0.00 C ATOM 562 C VAL A 36 -5.158 -22.031 -1.766 1.00 0.00 C ATOM 563 O VAL A 36 -5.301 -21.110 -0.955 1.00 0.00 O ATOM 564 CB VAL A 36 -4.045 -21.532 -3.978 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.268 -21.235 -5.451 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.280 -20.395 -3.317 1.00 0.00 C ATOM 0 H VAL A 36 -6.129 -19.884 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.857 -22.677 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.445 -22.438 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.308 -21.057 -5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.761 -22.085 -5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.896 -20.350 -5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.338 -20.237 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.876 -19.483 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.077 -20.649 -2.277 1.00 0.00 H new ATOM 576 N PRO A 37 -4.814 -23.265 -1.376 1.00 0.00 N ATOM 577 CA PRO A 37 -4.543 -23.594 0.023 1.00 0.00 C ATOM 578 C PRO A 37 -3.228 -22.985 0.508 1.00 0.00 C ATOM 579 O PRO A 37 -2.158 -23.320 -0.001 1.00 0.00 O ATOM 580 CB PRO A 37 -4.456 -25.123 0.020 1.00 0.00 C ATOM 581 CG PRO A 37 -4.047 -25.471 -1.369 1.00 0.00 C ATOM 582 CD PRO A 37 -4.678 -24.438 -2.258 1.00 0.00 C ATOM 0 HA PRO A 37 -5.308 -23.202 0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.729 -25.481 0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.414 -25.575 0.277 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.962 -25.462 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.384 -26.473 -1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.054 -24.219 -3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.645 -24.770 -2.637 1.00 0.00 H new ATOM 590 N ALA A 38 -3.315 -22.099 1.494 1.00 0.00 N ATOM 591 CA ALA A 38 -2.134 -21.440 2.048 1.00 0.00 C ATOM 592 C ALA A 38 -1.208 -22.452 2.711 1.00 0.00 C ATOM 593 O ALA A 38 0.011 -22.284 2.717 1.00 0.00 O ATOM 594 CB ALA A 38 -2.540 -20.350 3.037 1.00 0.00 C ATOM 0 H ALA A 38 -4.194 -21.819 1.929 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.590 -20.972 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.647 -19.872 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.152 -19.606 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.111 -20.793 3.853 1.00 0.00 H new ATOM 600 N ASP A 39 -1.795 -23.511 3.252 1.00 0.00 N ATOM 601 CA ASP A 39 -1.029 -24.575 3.901 1.00 0.00 C ATOM 602 C ASP A 39 -0.134 -25.287 2.894 1.00 0.00 C ATOM 603 O ASP A 39 1.003 -25.648 3.197 1.00 0.00 O ATOM 604 CB ASP A 39 -1.975 -25.592 4.548 1.00 0.00 C ATOM 605 CG ASP A 39 -1.243 -26.633 5.377 1.00 0.00 C ATOM 606 OD1 ASP A 39 -0.771 -27.644 4.805 1.00 0.00 O ATOM 607 OD2 ASP A 39 -1.140 -26.443 6.612 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.804 -23.660 3.256 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.405 -24.120 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.688 -25.065 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.550 -26.093 3.769 1.00 0.00 H new ATOM 612 N GLN A 40 -0.648 -25.466 1.689 1.00 0.00 N ATOM 613 CA GLN A 40 0.081 -26.167 0.645 1.00 0.00 C ATOM 614 C GLN A 40 0.668 -25.177 -0.357 1.00 0.00 C ATOM 615 O GLN A 40 1.025 -25.535 -1.484 1.00 0.00 O ATOM 616 CB GLN A 40 -0.837 -27.180 -0.044 1.00 0.00 C ATOM 617 CG GLN A 40 -1.488 -28.142 0.941 1.00 0.00 C ATOM 618 CD GLN A 40 -2.248 -29.274 0.284 1.00 0.00 C ATOM 619 OE1 GLN A 40 -2.792 -29.140 -0.813 1.00 0.00 O ATOM 620 NE2 GLN A 40 -2.295 -30.400 0.961 1.00 0.00 N ATOM 0 H GLN A 40 -1.571 -25.134 1.409 1.00 0.00 H new ATOM 0 HA GLN A 40 0.911 -26.711 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.613 -26.647 -0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.262 -27.748 -0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.717 -28.562 1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.170 -27.583 1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.831 -30.470 1.867 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.795 -31.203 0.581 1.00 0.00 H new ATOM 629 N LEU A 41 0.777 -23.934 0.072 1.00 0.00 N ATOM 630 CA LEU A 41 1.347 -22.875 -0.738 1.00 0.00 C ATOM 631 C LEU A 41 2.780 -22.609 -0.285 1.00 0.00 C ATOM 632 O LEU A 41 3.116 -22.842 0.874 1.00 0.00 O ATOM 633 CB LEU A 41 0.502 -21.601 -0.593 1.00 0.00 C ATOM 634 CG LEU A 41 0.919 -20.404 -1.448 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.738 -20.713 -2.920 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.123 -19.169 -1.060 1.00 0.00 C ATOM 0 H LEU A 41 0.471 -23.629 0.996 1.00 0.00 H new ATOM 0 HA LEU A 41 1.352 -23.177 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.532 -21.848 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.522 -21.296 0.453 1.00 0.00 H new ATOM 0 HG LEU A 41 1.975 -20.203 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.040 -19.850 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.353 -21.571 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.309 -20.941 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.433 -18.327 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.940 -19.359 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.304 -18.934 -0.011 1.00 0.00 H new ATOM 648 N ARG A 42 3.618 -22.144 -1.186 1.00 0.00 N ATOM 649 CA ARG A 42 4.997 -21.840 -0.847 1.00 0.00 C ATOM 650 C ARG A 42 5.374 -20.460 -1.343 1.00 0.00 C ATOM 651 O ARG A 42 5.020 -20.077 -2.459 1.00 0.00 O ATOM 652 CB ARG A 42 5.939 -22.854 -1.464 1.00 0.00 C ATOM 653 CG ARG A 42 7.369 -22.688 -1.000 1.00 0.00 C ATOM 654 CD ARG A 42 8.345 -23.162 -2.043 1.00 0.00 C ATOM 655 NE ARG A 42 8.126 -24.562 -2.413 1.00 0.00 N ATOM 656 CZ ARG A 42 9.051 -25.522 -2.322 1.00 0.00 C ATOM 657 NH1 ARG A 42 10.251 -25.252 -1.813 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 8.768 -26.756 -2.720 1.00 0.00 N ATOM 0 H ARG A 42 3.371 -21.967 -2.160 1.00 0.00 H new ATOM 0 HA ARG A 42 5.086 -21.877 0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.596 -23.859 -1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.902 -22.763 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.559 -21.639 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.521 -23.248 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.257 -22.536 -2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.361 -23.042 -1.668 1.00 0.00 H new ATOM 0 HE ARG A 42 7.204 -24.822 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.468 -24.309 -1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.954 -25.988 -1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.844 -26.972 -3.095 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.474 -27.489 -2.651 1.00 0.00 H new ATOM 672 N VAL A 43 6.092 -19.713 -0.522 1.00 0.00 N ATOM 673 CA VAL A 43 6.538 -18.394 -0.916 1.00 0.00 C ATOM 674 C VAL A 43 8.063 -18.295 -0.883 1.00 0.00 C ATOM 675 O VAL A 43 8.706 -18.676 0.097 1.00 0.00 O ATOM 676 CB VAL A 43 5.902 -17.266 -0.047 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.389 -17.269 -0.183 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.300 -17.399 1.419 1.00 0.00 C ATOM 0 H VAL A 43 6.376 -19.998 0.415 1.00 0.00 H new ATOM 0 HA VAL A 43 6.199 -18.245 -1.941 1.00 0.00 H new ATOM 0 HB VAL A 43 6.285 -16.314 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.967 -16.474 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.117 -17.105 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.996 -18.231 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.839 -16.597 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.961 -18.362 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.384 -17.334 1.509 1.00 0.00 H new ATOM 688 N ILE A 44 8.630 -17.818 -1.974 1.00 0.00 N ATOM 689 CA ILE A 44 10.065 -17.640 -2.091 1.00 0.00 C ATOM 690 C ILE A 44 10.372 -16.191 -2.444 1.00 0.00 C ATOM 691 O ILE A 44 9.753 -15.615 -3.334 1.00 0.00 O ATOM 692 CB ILE A 44 10.665 -18.575 -3.183 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.460 -20.052 -2.813 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.147 -18.280 -3.408 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.158 -20.471 -1.530 1.00 0.00 C ATOM 0 H ILE A 44 8.108 -17.542 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 44 10.517 -17.897 -1.133 1.00 0.00 H new ATOM 0 HB ILE A 44 10.135 -18.378 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.392 -20.246 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.822 -20.674 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.539 -18.948 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.267 -17.246 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.694 -18.435 -2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.965 -21.526 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.231 -20.311 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.779 -19.876 -0.699 1.00 0.00 H new ATOM 707 N PHE A 45 11.307 -15.604 -1.739 1.00 0.00 N ATOM 708 CA PHE A 45 11.689 -14.237 -1.983 1.00 0.00 C ATOM 709 C PHE A 45 13.198 -14.109 -2.018 1.00 0.00 C ATOM 710 O PHE A 45 13.878 -14.518 -1.082 1.00 0.00 O ATOM 711 CB PHE A 45 11.110 -13.324 -0.905 1.00 0.00 C ATOM 712 CG PHE A 45 11.490 -11.884 -1.072 1.00 0.00 C ATOM 713 CD1 PHE A 45 10.909 -11.116 -2.061 1.00 0.00 C ATOM 714 CD2 PHE A 45 12.427 -11.299 -0.237 1.00 0.00 C ATOM 715 CE1 PHE A 45 11.251 -9.794 -2.215 1.00 0.00 C ATOM 716 CE2 PHE A 45 12.775 -9.974 -0.386 1.00 0.00 C ATOM 717 CZ PHE A 45 12.186 -9.220 -1.375 1.00 0.00 C ATOM 0 H PHE A 45 11.822 -16.058 -0.984 1.00 0.00 H new ATOM 0 HA PHE A 45 11.290 -13.934 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.023 -13.408 -0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.448 -13.669 0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.178 -11.559 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.891 -11.888 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.789 -9.204 -2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.507 -9.529 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.454 -8.181 -1.495 1.00 0.00 H new ATOM 727 N ALA A 46 13.713 -13.569 -3.119 1.00 0.00 N ATOM 728 CA ALA A 46 15.150 -13.350 -3.301 1.00 0.00 C ATOM 729 C ALA A 46 15.926 -14.667 -3.280 1.00 0.00 C ATOM 730 O ALA A 46 17.128 -14.689 -3.014 1.00 0.00 O ATOM 731 CB ALA A 46 15.682 -12.391 -2.239 1.00 0.00 C ATOM 0 H ALA A 46 13.147 -13.269 -3.913 1.00 0.00 H new ATOM 0 HA ALA A 46 15.297 -12.899 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.751 -12.239 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.165 -11.435 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.511 -12.813 -1.249 1.00 0.00 H new ATOM 737 N GLY A 47 15.233 -15.760 -3.574 1.00 0.00 N ATOM 738 CA GLY A 47 15.870 -17.062 -3.586 1.00 0.00 C ATOM 739 C GLY A 47 15.886 -17.724 -2.218 1.00 0.00 C ATOM 740 O GLY A 47 16.573 -18.723 -2.015 1.00 0.00 O ATOM 0 H GLY A 47 14.239 -15.767 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.349 -17.709 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.894 -16.957 -3.945 1.00 0.00 H new ATOM 744 N LYS A 48 15.136 -17.170 -1.281 1.00 0.00 N ATOM 745 CA LYS A 48 15.067 -17.712 0.070 1.00 0.00 C ATOM 746 C LYS A 48 13.661 -17.591 0.631 1.00 0.00 C ATOM 747 O LYS A 48 12.754 -17.114 -0.046 1.00 0.00 O ATOM 748 CB LYS A 48 16.036 -16.980 0.991 1.00 0.00 C ATOM 749 CG LYS A 48 15.854 -15.475 0.993 1.00 0.00 C ATOM 750 CD LYS A 48 16.334 -14.866 2.286 1.00 0.00 C ATOM 751 CE LYS A 48 16.466 -13.354 2.175 1.00 0.00 C ATOM 752 NZ LYS A 48 17.466 -12.953 1.146 1.00 0.00 N1+ ATOM 0 H LYS A 48 14.562 -16.340 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 48 15.341 -18.766 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.910 -17.354 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.057 -17.213 0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.402 -15.039 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.802 -15.234 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.637 -15.114 3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.298 -15.298 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.496 -12.923 1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.757 -12.944 3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.106 -12.237 1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.017 -13.785 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.974 -12.557 0.320 1.00 0.00 H new ATOM 766 N GLU A 49 13.489 -18.023 1.865 1.00 0.00 N ATOM 767 CA GLU A 49 12.214 -17.914 2.537 1.00 0.00 C ATOM 768 C GLU A 49 12.319 -16.902 3.673 1.00 0.00 C ATOM 769 O GLU A 49 13.325 -16.855 4.387 1.00 0.00 O ATOM 770 CB GLU A 49 11.755 -19.279 3.071 1.00 0.00 C ATOM 771 CG GLU A 49 12.692 -19.897 4.098 1.00 0.00 C ATOM 772 CD GLU A 49 12.175 -21.209 4.640 1.00 0.00 C ATOM 773 OE1 GLU A 49 12.709 -22.272 4.251 1.00 0.00 O ATOM 774 OE2 GLU A 49 11.235 -21.189 5.457 1.00 0.00 O1- ATOM 0 H GLU A 49 14.224 -18.456 2.424 1.00 0.00 H new ATOM 0 HA GLU A 49 11.469 -17.571 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.767 -19.168 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.649 -19.967 2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.670 -20.056 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.834 -19.198 4.922 1.00 0.00 H new ATOM 781 N LEU A 50 11.304 -16.082 3.816 1.00 0.00 N ATOM 782 CA LEU A 50 11.281 -15.071 4.860 1.00 0.00 C ATOM 783 C LEU A 50 10.634 -15.608 6.117 1.00 0.00 C ATOM 784 O LEU A 50 10.006 -16.674 6.102 1.00 0.00 O ATOM 785 CB LEU A 50 10.506 -13.836 4.395 1.00 0.00 C ATOM 786 CG LEU A 50 11.000 -13.186 3.111 1.00 0.00 C ATOM 787 CD1 LEU A 50 10.174 -11.956 2.784 1.00 0.00 C ATOM 788 CD2 LEU A 50 12.473 -12.833 3.223 1.00 0.00 C ATOM 0 H LEU A 50 10.476 -16.092 3.221 1.00 0.00 H new ATOM 0 HA LEU A 50 12.314 -14.797 5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.461 -14.116 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.535 -13.092 5.191 1.00 0.00 H new ATOM 0 HG LEU A 50 10.883 -13.901 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.542 -11.505 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.130 -12.242 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.255 -11.236 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.808 -12.369 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.619 -12.137 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.051 -13.739 3.405 1.00 0.00 H new ATOM 800 N ARG A 51 10.800 -14.879 7.208 1.00 0.00 N ATOM 801 CA ARG A 51 10.151 -15.230 8.449 1.00 0.00 C ATOM 802 C ARG A 51 8.669 -14.905 8.327 1.00 0.00 C ATOM 803 O ARG A 51 8.300 -13.910 7.708 1.00 0.00 O ATOM 804 CB ARG A 51 10.766 -14.481 9.653 1.00 0.00 C ATOM 805 CG ARG A 51 10.533 -12.977 9.646 1.00 0.00 C ATOM 806 CD ARG A 51 11.640 -12.224 8.925 1.00 0.00 C ATOM 807 NE ARG A 51 12.818 -12.042 9.774 1.00 0.00 N ATOM 808 CZ ARG A 51 13.899 -11.350 9.413 1.00 0.00 C ATOM 809 NH1 ARG A 51 14.005 -10.876 8.181 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 14.886 -11.155 10.284 1.00 0.00 N ATOM 0 H ARG A 51 11.380 -14.041 7.254 1.00 0.00 H new ATOM 0 HA ARG A 51 10.294 -16.295 8.631 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.353 -14.896 10.572 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.839 -14.670 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.578 -12.762 9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.462 -12.618 10.673 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.922 -12.769 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.269 -11.250 8.606 1.00 0.00 H new ATOM 0 HE ARG A 51 12.812 -12.471 10.699 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.259 -11.040 7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.833 -10.347 7.908 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.816 -11.535 11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.713 -10.626 10.008 1.00 0.00 H new ATOM 824 N ASN A 52 7.833 -15.732 8.902 1.00 0.00 N ATOM 825 CA ASN A 52 6.388 -15.550 8.793 1.00 0.00 C ATOM 826 C ASN A 52 5.904 -14.396 9.664 1.00 0.00 C ATOM 827 O ASN A 52 4.900 -13.747 9.356 1.00 0.00 O ATOM 828 CB ASN A 52 5.661 -16.837 9.188 1.00 0.00 C ATOM 829 CG ASN A 52 5.972 -18.005 8.274 1.00 0.00 C ATOM 830 OD1 ASN A 52 6.195 -17.835 7.076 1.00 0.00 O ATOM 831 ND2 ASN A 52 5.999 -19.199 8.837 1.00 0.00 N ATOM 0 H ASN A 52 8.118 -16.542 9.453 1.00 0.00 H new ATOM 0 HA ASN A 52 6.162 -15.310 7.754 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.934 -17.101 10.210 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.586 -16.656 9.182 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.211 -20.023 8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.808 -19.297 9.834 1.00 0.00 H new ATOM 838 N ASP A 53 6.639 -14.119 10.727 1.00 0.00 N ATOM 839 CA ASP A 53 6.237 -13.102 11.684 1.00 0.00 C ATOM 840 C ASP A 53 7.022 -11.812 11.510 1.00 0.00 C ATOM 841 O ASP A 53 7.836 -11.452 12.360 1.00 0.00 O ATOM 842 CB ASP A 53 6.390 -13.611 13.123 1.00 0.00 C ATOM 843 CG ASP A 53 5.495 -14.786 13.439 1.00 0.00 C ATOM 844 OD1 ASP A 53 4.352 -14.569 13.900 1.00 0.00 O ATOM 845 OD2 ASP A 53 5.930 -15.940 13.241 1.00 0.00 O1- ATOM 0 H ASP A 53 7.519 -14.585 10.950 1.00 0.00 H new ATOM 0 HA ASP A 53 5.186 -12.887 11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.428 -13.898 13.291 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.168 -12.798 13.814 1.00 0.00 H new ATOM 850 N TRP A 54 6.796 -11.133 10.403 1.00 0.00 N ATOM 851 CA TRP A 54 7.443 -9.845 10.148 1.00 0.00 C ATOM 852 C TRP A 54 6.697 -9.082 9.062 1.00 0.00 C ATOM 853 O TRP A 54 6.054 -9.687 8.204 1.00 0.00 O ATOM 854 CB TRP A 54 8.912 -10.049 9.756 1.00 0.00 C ATOM 855 CG TRP A 54 9.741 -8.798 9.795 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.528 -8.309 8.796 1.00 0.00 C ATOM 857 CD2 TRP A 54 9.867 -7.881 10.891 1.00 0.00 C ATOM 858 NE1 TRP A 54 11.140 -7.149 9.200 1.00 0.00 N ATOM 859 CE2 TRP A 54 10.749 -6.862 10.483 1.00 0.00 C ATOM 860 CE3 TRP A 54 9.321 -7.821 12.178 1.00 0.00 C ATOM 861 CZ2 TRP A 54 11.094 -5.800 11.315 1.00 0.00 C ATOM 862 CZ3 TRP A 54 9.663 -6.766 13.000 1.00 0.00 C ATOM 863 CH2 TRP A 54 10.541 -5.768 12.565 1.00 0.00 C ATOM 0 H TRP A 54 6.170 -11.445 9.660 1.00 0.00 H new ATOM 0 HA TRP A 54 7.413 -9.255 11.064 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.356 -10.786 10.426 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.953 -10.467 8.750 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.652 -8.768 7.826 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.782 -6.591 8.637 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.643 -8.588 12.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.774 -5.029 10.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.246 -6.710 13.995 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.788 -4.954 13.231 1.00 0.00 H new ATOM 874 N THR A 55 6.770 -7.759 9.114 1.00 0.00 N ATOM 875 CA THR A 55 6.092 -6.903 8.152 1.00 0.00 C ATOM 876 C THR A 55 6.785 -6.917 6.783 1.00 0.00 C ATOM 877 O THR A 55 8.016 -6.956 6.687 1.00 0.00 O ATOM 878 CB THR A 55 5.988 -5.442 8.667 1.00 0.00 C ATOM 879 OG1 THR A 55 5.367 -4.612 7.675 1.00 0.00 O ATOM 880 CG2 THR A 55 7.362 -4.877 9.014 1.00 0.00 C ATOM 0 H THR A 55 7.299 -7.251 9.822 1.00 0.00 H new ATOM 0 HA THR A 55 5.087 -7.309 8.033 1.00 0.00 H new ATOM 0 HB THR A 55 5.380 -5.451 9.572 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.304 -3.693 8.010 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.255 -3.853 9.371 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.820 -5.487 9.793 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.994 -4.887 8.126 1.00 0.00 H new ATOM 888 N VAL A 56 5.978 -6.877 5.734 1.00 0.00 N ATOM 889 CA VAL A 56 6.464 -6.881 4.364 1.00 0.00 C ATOM 890 C VAL A 56 7.111 -5.538 4.008 1.00 0.00 C ATOM 891 O VAL A 56 7.994 -5.470 3.143 1.00 0.00 O ATOM 892 CB VAL A 56 5.305 -7.190 3.367 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.225 -6.117 3.424 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.828 -7.347 1.950 1.00 0.00 C ATOM 0 H VAL A 56 4.962 -6.841 5.810 1.00 0.00 H new ATOM 0 HA VAL A 56 7.218 -7.664 4.282 1.00 0.00 H new ATOM 0 HB VAL A 56 4.857 -8.136 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.432 -6.361 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.812 -6.070 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.658 -5.151 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.998 -7.562 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.318 -6.424 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.544 -8.168 1.915 1.00 0.00 H new ATOM 904 N GLN A 57 6.693 -4.482 4.705 1.00 0.00 N ATOM 905 CA GLN A 57 7.191 -3.134 4.445 1.00 0.00 C ATOM 906 C GLN A 57 8.702 -3.059 4.621 1.00 0.00 C ATOM 907 O GLN A 57 9.399 -2.455 3.813 1.00 0.00 O ATOM 908 CB GLN A 57 6.513 -2.121 5.372 1.00 0.00 C ATOM 909 CG GLN A 57 6.946 -0.674 5.145 1.00 0.00 C ATOM 910 CD GLN A 57 6.459 -0.107 3.821 1.00 0.00 C ATOM 911 OE1 GLN A 57 5.395 -0.474 3.327 1.00 0.00 O ATOM 912 NE2 GLN A 57 7.229 0.795 3.242 1.00 0.00 N ATOM 0 H GLN A 57 6.007 -4.536 5.458 1.00 0.00 H new ATOM 0 HA GLN A 57 6.951 -2.890 3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.433 -2.190 5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.725 -2.394 6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.568 -0.056 5.959 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.034 -0.617 5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.106 1.075 3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.947 1.212 2.355 1.00 0.00 H new ATOM 921 N ASN A 58 9.210 -3.691 5.667 1.00 0.00 N ATOM 922 CA ASN A 58 10.640 -3.645 5.957 1.00 0.00 C ATOM 923 C ASN A 58 11.385 -4.774 5.234 1.00 0.00 C ATOM 924 O ASN A 58 12.605 -4.887 5.323 1.00 0.00 O ATOM 925 CB ASN A 58 10.886 -3.712 7.475 1.00 0.00 C ATOM 926 CG ASN A 58 12.304 -3.307 7.865 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.945 -2.509 7.184 1.00 0.00 O ATOM 928 ND2 ASN A 58 12.793 -3.843 8.966 1.00 0.00 N ATOM 0 H ASN A 58 8.660 -4.240 6.328 1.00 0.00 H new ATOM 0 HA ASN A 58 11.030 -2.697 5.587 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.175 -3.060 7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.694 -4.726 7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.733 -3.599 9.278 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.231 -4.502 9.505 1.00 0.00 H new ATOM 935 N CYS A 59 10.643 -5.601 4.515 1.00 0.00 N ATOM 936 CA CYS A 59 11.240 -6.698 3.764 1.00 0.00 C ATOM 937 C CYS A 59 11.476 -6.290 2.306 1.00 0.00 C ATOM 938 O CYS A 59 12.236 -6.934 1.587 1.00 0.00 O ATOM 939 CB CYS A 59 10.364 -7.944 3.842 1.00 0.00 C ATOM 940 SG CYS A 59 10.165 -8.613 5.506 1.00 0.00 S ATOM 0 H CYS A 59 9.628 -5.535 4.434 1.00 0.00 H new ATOM 0 HA CYS A 59 12.206 -6.933 4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.379 -7.707 3.439 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.793 -8.715 3.202 1.00 0.00 H new ATOM 0 HG CYS A 59 9.465 -7.787 6.225 1.00 0.00 H new ATOM 946 N ASP A 60 10.797 -5.217 1.886 1.00 0.00 N ATOM 947 CA ASP A 60 10.965 -4.627 0.541 1.00 0.00 C ATOM 948 C ASP A 60 10.694 -5.624 -0.583 1.00 0.00 C ATOM 949 O ASP A 60 11.532 -5.811 -1.472 1.00 0.00 O ATOM 950 CB ASP A 60 12.371 -4.040 0.372 1.00 0.00 C ATOM 951 CG ASP A 60 12.665 -2.921 1.337 1.00 0.00 C ATOM 952 OD1 ASP A 60 12.127 -1.816 1.153 1.00 0.00 O ATOM 953 OD2 ASP A 60 13.454 -3.135 2.277 1.00 0.00 O1- ATOM 0 H ASP A 60 10.114 -4.728 2.465 1.00 0.00 H new ATOM 0 HA ASP A 60 10.222 -3.833 0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.107 -4.832 0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.484 -3.671 -0.648 1.00 0.00 H new ATOM 958 N LEU A 61 9.515 -6.231 -0.573 1.00 0.00 N ATOM 959 CA LEU A 61 9.144 -7.199 -1.616 1.00 0.00 C ATOM 960 C LEU A 61 8.758 -6.498 -2.917 1.00 0.00 C ATOM 961 O LEU A 61 8.419 -7.140 -3.909 1.00 0.00 O ATOM 962 CB LEU A 61 8.006 -8.119 -1.145 1.00 0.00 C ATOM 963 CG LEU A 61 8.426 -9.335 -0.303 1.00 0.00 C ATOM 964 CD1 LEU A 61 9.108 -8.910 0.971 1.00 0.00 C ATOM 965 CD2 LEU A 61 7.232 -10.219 0.001 1.00 0.00 C ATOM 0 H LEU A 61 8.799 -6.077 0.137 1.00 0.00 H new ATOM 0 HA LEU A 61 10.023 -7.814 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.303 -7.524 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.469 -8.478 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 61 9.141 -9.912 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.392 -9.793 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.999 -8.331 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.426 -8.298 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.554 -11.073 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.488 -9.648 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.794 -10.573 -0.932 1.00 0.00 H new ATOM 977 N ASP A 62 8.805 -5.184 -2.895 1.00 0.00 N ATOM 978 CA ASP A 62 8.492 -4.380 -4.063 1.00 0.00 C ATOM 979 C ASP A 62 9.769 -3.822 -4.676 1.00 0.00 C ATOM 980 O ASP A 62 9.747 -3.244 -5.761 1.00 0.00 O ATOM 981 CB ASP A 62 7.579 -3.218 -3.671 1.00 0.00 C ATOM 982 CG ASP A 62 8.316 -2.139 -2.895 1.00 0.00 C ATOM 983 OD1 ASP A 62 8.409 -0.995 -3.401 1.00 0.00 O ATOM 984 OD2 ASP A 62 8.825 -2.438 -1.787 1.00 0.00 O1- ATOM 0 H ASP A 62 9.060 -4.641 -2.070 1.00 0.00 H new ATOM 0 HA ASP A 62 7.986 -5.014 -4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.144 -2.782 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.753 -3.596 -3.068 1.00 0.00 H new ATOM 989 N GLN A 63 10.884 -4.003 -3.983 1.00 0.00 N ATOM 990 CA GLN A 63 12.148 -3.440 -4.427 1.00 0.00 C ATOM 991 C GLN A 63 13.189 -4.517 -4.704 1.00 0.00 C ATOM 992 O GLN A 63 13.732 -4.596 -5.809 1.00 0.00 O ATOM 993 CB GLN A 63 12.683 -2.459 -3.385 1.00 0.00 C ATOM 994 CG GLN A 63 13.994 -1.799 -3.779 1.00 0.00 C ATOM 995 CD GLN A 63 14.528 -0.876 -2.708 1.00 0.00 C ATOM 996 OE1 GLN A 63 14.312 -1.095 -1.518 1.00 0.00 O ATOM 997 NE2 GLN A 63 15.227 0.157 -3.120 1.00 0.00 N ATOM 0 H GLN A 63 10.938 -4.534 -3.114 1.00 0.00 H new ATOM 0 HA GLN A 63 11.958 -2.915 -5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.935 -1.685 -3.211 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.822 -2.986 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.735 -2.570 -3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.849 -1.235 -4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.383 0.302 -4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.614 0.814 -2.442 1.00 0.00 H new ATOM 1006 N GLN A 64 13.471 -5.335 -3.709 1.00 0.00 N ATOM 1007 CA GLN A 64 14.497 -6.355 -3.844 1.00 0.00 C ATOM 1008 C GLN A 64 13.967 -7.566 -4.590 1.00 0.00 C ATOM 1009 O GLN A 64 13.223 -8.359 -4.034 1.00 0.00 O ATOM 1010 CB GLN A 64 15.028 -6.773 -2.470 1.00 0.00 C ATOM 1011 CG GLN A 64 15.594 -5.624 -1.644 1.00 0.00 C ATOM 1012 CD GLN A 64 16.702 -4.869 -2.355 1.00 0.00 C ATOM 1013 OE1 GLN A 64 17.432 -5.432 -3.176 1.00 0.00 O ATOM 1014 NE2 GLN A 64 16.843 -3.598 -2.035 1.00 0.00 N ATOM 0 H GLN A 64 13.007 -5.315 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 64 15.317 -5.928 -4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 64 14.222 -7.246 -1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.805 -7.525 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.790 -4.931 -1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.976 -6.016 -0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.218 -3.172 -1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.577 -3.041 -2.471 1.00 0.00 H new ATOM 1037 N ILE A 66 11.846 -10.031 -6.970 1.00 0.00 N ATOM 1038 CA ILE A 66 10.425 -10.210 -7.044 1.00 0.00 C ATOM 1039 C ILE A 66 10.040 -11.471 -6.271 1.00 0.00 C ATOM 1040 O ILE A 66 10.865 -12.379 -6.106 1.00 0.00 O ATOM 1041 CB ILE A 66 9.948 -10.295 -8.521 1.00 0.00 C ATOM 1042 CG1 ILE A 66 8.435 -10.246 -8.609 1.00 0.00 C ATOM 1043 CG2 ILE A 66 10.461 -11.554 -9.183 1.00 0.00 C ATOM 1044 CD1 ILE A 66 7.917 -10.035 -10.009 1.00 0.00 C ATOM 0 HA ILE A 66 9.932 -9.348 -6.595 1.00 0.00 H new ATOM 0 HB ILE A 66 10.355 -9.432 -9.047 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.026 -11.177 -8.216 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.068 -9.442 -7.970 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.113 -11.590 -10.215 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.551 -11.555 -9.167 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.089 -12.426 -8.645 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.827 -10.011 -9.994 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.296 -9.090 -10.398 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.253 -10.851 -10.648 1.00 0.00 H new ATOM 1056 N VAL A 67 8.818 -11.522 -5.785 1.00 0.00 N ATOM 1057 CA VAL A 67 8.369 -12.654 -4.996 1.00 0.00 C ATOM 1058 C VAL A 67 7.948 -13.804 -5.900 1.00 0.00 C ATOM 1059 O VAL A 67 7.168 -13.619 -6.830 1.00 0.00 O ATOM 1060 CB VAL A 67 7.178 -12.276 -4.098 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.954 -13.328 -3.022 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.374 -10.900 -3.484 1.00 0.00 C ATOM 0 H VAL A 67 8.117 -10.794 -5.921 1.00 0.00 H new ATOM 0 HA VAL A 67 9.207 -12.960 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 67 6.285 -12.239 -4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.107 -13.038 -2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.747 -14.290 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.847 -13.411 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.518 -10.657 -2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.281 -10.897 -2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.463 -10.157 -4.277 1.00 0.00 H new ATOM 1072 N HIS A 68 8.468 -14.975 -5.629 1.00 0.00 N ATOM 1073 CA HIS A 68 8.123 -16.165 -6.381 1.00 0.00 C ATOM 1074 C HIS A 68 7.235 -17.055 -5.532 1.00 0.00 C ATOM 1075 O HIS A 68 7.689 -17.649 -4.556 1.00 0.00 O ATOM 1076 CB HIS A 68 9.382 -16.934 -6.808 1.00 0.00 C ATOM 1077 CG HIS A 68 10.188 -16.267 -7.892 1.00 0.00 C ATOM 1078 ND1 HIS A 68 10.562 -14.972 -8.020 1.00 0.00 N flip ATOM 1079 CD2 HIS A 68 10.700 -16.988 -8.943 1.00 0.00 C flip ATOM 1080 CE1 HIS A 68 11.321 -14.887 -9.158 1.00 0.00 C flip ATOM 1081 NE2 HIS A 68 11.376 -16.120 -9.679 1.00 0.00 N flip ATOM 0 H HIS A 68 9.143 -15.135 -4.881 1.00 0.00 H new ATOM 0 HA HIS A 68 7.590 -15.865 -7.283 1.00 0.00 H new ATOM 0 HB2 HIS A 68 10.019 -17.075 -5.935 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.087 -17.926 -7.151 1.00 0.00 H new ATOM 0 HD1 HIS A 68 10.324 -14.206 -7.390 1.00 0.00 H new ATOM 0 HD2 HIS A 68 10.577 -18.044 -9.130 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.785 -13.998 -9.558 1.00 0.00 H new ATOM 1089 N ILE A 69 5.977 -17.134 -5.885 1.00 0.00 N ATOM 1090 CA ILE A 69 5.037 -17.930 -5.126 1.00 0.00 C ATOM 1091 C ILE A 69 4.518 -19.081 -5.967 1.00 0.00 C ATOM 1092 O ILE A 69 4.081 -18.887 -7.097 1.00 0.00 O ATOM 1093 CB ILE A 69 3.854 -17.075 -4.607 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.371 -15.954 -3.696 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.842 -17.943 -3.866 1.00 0.00 C ATOM 1096 CD1 ILE A 69 3.277 -15.121 -3.057 1.00 0.00 C ATOM 0 H ILE A 69 5.577 -16.658 -6.693 1.00 0.00 H new ATOM 0 HA ILE A 69 5.567 -18.329 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 69 3.351 -16.626 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.984 -16.394 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.020 -15.298 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.020 -17.321 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.454 -18.706 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.327 -18.423 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.726 -14.351 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.677 -14.650 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.641 -15.762 -2.447 1.00 0.00 H new ATOM 1108 N VAL A 70 4.572 -20.271 -5.416 1.00 0.00 N ATOM 1109 CA VAL A 70 4.116 -21.447 -6.114 1.00 0.00 C ATOM 1110 C VAL A 70 3.272 -22.310 -5.183 1.00 0.00 C ATOM 1111 O VAL A 70 3.479 -22.317 -3.970 1.00 0.00 O ATOM 1112 CB VAL A 70 5.309 -22.269 -6.680 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.161 -22.859 -5.564 1.00 0.00 C ATOM 1114 CG2 VAL A 70 4.823 -23.353 -7.633 1.00 0.00 C ATOM 0 H VAL A 70 4.931 -20.449 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 70 3.505 -21.125 -6.957 1.00 0.00 H new ATOM 0 HB VAL A 70 5.941 -21.584 -7.245 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.985 -23.427 -5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.560 -22.054 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.549 -23.519 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.677 -23.912 -8.014 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.153 -24.030 -7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.290 -22.893 -8.465 1.00 0.00 H new ATOM 1124 N GLN A 71 2.309 -23.009 -5.743 1.00 0.00 N ATOM 1125 CA GLN A 71 1.437 -23.855 -4.953 1.00 0.00 C ATOM 1126 C GLN A 71 1.696 -25.318 -5.250 1.00 0.00 C ATOM 1127 O GLN A 71 2.238 -25.662 -6.302 1.00 0.00 O ATOM 1128 CB GLN A 71 -0.033 -23.529 -5.235 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.430 -23.701 -6.698 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.925 -23.581 -6.929 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.712 -23.983 -5.953 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 -2.364 -23.137 -7.984 1.00 0.00 N flip ATOM 0 H GLN A 71 2.109 -23.009 -6.743 1.00 0.00 H new ATOM 0 HA GLN A 71 1.649 -23.663 -3.901 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.663 -24.171 -4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.233 -22.501 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.085 -22.951 -7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.092 -24.677 -7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.722 -22.835 -8.717 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.371 -23.069 -8.129 1.00 0.00 H new