USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 SER OG : rot -79:sc= 1.11 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0.00379 USER MOD Set 2.1: A 4 THR OG1 : rot 40:sc= 0.437 USER MOD Set 2.2: A 7 GLN : amide:sc= -2.68! C(o=-2.2!,f=-2.6!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.0765 X(o=-0.077,f=-0.077) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0478 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.21) USER MOD Single : A 52 ASN : amide:sc= -0.0288 K(o=-0.029,f=-1.2) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.268 (180deg=-0.687) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.145 K(o=-0.15,f=-2!) USER MOD Single : A 86 MET CE :methyl -176:sc= -5.49! (180deg=-5.99!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.144 15.272 -18.765 1.00 0.00 N ATOM 2 CA ALA A 1 -19.771 14.816 -17.410 1.00 0.00 C ATOM 3 C ALA A 1 -19.258 13.351 -17.470 1.00 0.00 C ATOM 4 O ALA A 1 -20.008 12.433 -17.821 1.00 0.00 O ATOM 5 CB ALA A 1 -20.973 14.964 -16.458 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.487 16.253 -18.719 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.313 15.224 -19.388 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.895 14.660 -19.143 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.963 15.435 -17.021 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -20.691 14.626 -15.461 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -21.276 16.010 -16.414 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.804 14.361 -16.824 1.00 0.00 H new ATOM 13 N SER A 2 -17.964 13.160 -17.151 1.00 0.00 N ATOM 14 CA SER A 2 -17.310 11.825 -17.181 1.00 0.00 C ATOM 15 C SER A 2 -17.584 11.075 -15.849 1.00 0.00 C ATOM 16 O SER A 2 -17.361 11.618 -14.760 1.00 0.00 O ATOM 17 CB SER A 2 -15.799 11.999 -17.458 1.00 0.00 C ATOM 18 OG SER A 2 -15.551 13.117 -18.305 1.00 0.00 O ATOM 0 H SER A 2 -17.341 13.916 -16.867 1.00 0.00 H new ATOM 0 HA SER A 2 -17.726 11.218 -17.985 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.268 12.130 -16.515 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.406 11.095 -17.923 1.00 0.00 H new ATOM 0 HG SER A 2 -14.587 13.202 -18.461 1.00 0.00 H new ATOM 24 N MET A 3 -18.052 9.818 -15.958 1.00 0.00 N ATOM 25 CA MET A 3 -18.357 8.958 -14.784 1.00 0.00 C ATOM 26 C MET A 3 -17.147 8.025 -14.504 1.00 0.00 C ATOM 27 O MET A 3 -17.292 6.797 -14.467 1.00 0.00 O ATOM 28 CB MET A 3 -19.669 8.166 -15.040 1.00 0.00 C ATOM 29 CG MET A 3 -20.710 8.213 -13.904 1.00 0.00 C ATOM 30 SD MET A 3 -20.472 6.842 -12.749 1.00 0.00 S ATOM 31 CE MET A 3 -22.175 6.403 -12.347 1.00 0.00 C ATOM 0 H MET A 3 -18.231 9.365 -16.854 1.00 0.00 H new ATOM 0 HA MET A 3 -18.517 9.569 -13.895 1.00 0.00 H new ATOM 0 HB2 MET A 3 -20.132 8.550 -15.949 1.00 0.00 H new ATOM 0 HB3 MET A 3 -19.412 7.124 -15.229 1.00 0.00 H new ATOM 0 HG2 MET A 3 -20.629 9.160 -13.371 1.00 0.00 H new ATOM 0 HG3 MET A 3 -21.715 8.169 -14.325 1.00 0.00 H new ATOM 0 HE1 MET A 3 -22.180 5.571 -11.643 1.00 0.00 H new ATOM 0 HE2 MET A 3 -22.676 7.261 -11.898 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.700 6.112 -13.257 1.00 0.00 H new ATOM 41 N THR A 4 -15.956 8.629 -14.337 1.00 0.00 N ATOM 42 CA THR A 4 -14.691 7.883 -14.097 1.00 0.00 C ATOM 43 C THR A 4 -14.197 8.114 -12.643 1.00 0.00 C ATOM 44 O THR A 4 -13.451 9.062 -12.370 1.00 0.00 O ATOM 45 CB THR A 4 -13.635 8.202 -15.201 1.00 0.00 C ATOM 46 OG1 THR A 4 -13.313 9.589 -15.156 1.00 0.00 O ATOM 47 CG2 THR A 4 -13.995 7.845 -16.658 1.00 0.00 C ATOM 0 H THR A 4 -15.836 9.642 -14.363 1.00 0.00 H new ATOM 0 HA THR A 4 -14.872 6.812 -14.182 1.00 0.00 H new ATOM 0 HB THR A 4 -12.801 7.546 -14.950 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.252 9.881 -14.222 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.170 8.122 -17.315 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.177 6.773 -16.736 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.893 8.387 -16.954 1.00 0.00 H new ATOM 55 N ASP A 5 -14.637 7.243 -11.716 1.00 0.00 N ATOM 56 CA ASP A 5 -14.340 7.374 -10.264 1.00 0.00 C ATOM 57 C ASP A 5 -12.884 6.905 -9.989 1.00 0.00 C ATOM 58 O ASP A 5 -12.257 7.355 -9.022 1.00 0.00 O ATOM 59 CB ASP A 5 -15.384 6.610 -9.398 1.00 0.00 C ATOM 60 CG ASP A 5 -15.120 5.109 -9.186 1.00 0.00 C ATOM 61 OD1 ASP A 5 -14.599 4.449 -10.112 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.440 4.587 -8.096 1.00 0.00 O ATOM 0 H ASP A 5 -15.207 6.429 -11.944 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.419 8.422 -9.975 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.436 7.090 -8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.364 6.724 -9.862 1.00 0.00 H new ATOM 67 N GLN A 6 -12.376 5.980 -10.824 1.00 0.00 N ATOM 68 CA GLN A 6 -11.044 5.341 -10.644 1.00 0.00 C ATOM 69 C GLN A 6 -9.999 6.437 -10.297 1.00 0.00 C ATOM 70 O GLN A 6 -9.658 6.631 -9.123 1.00 0.00 O ATOM 71 CB GLN A 6 -10.659 4.540 -11.922 1.00 0.00 C ATOM 72 CG GLN A 6 -11.347 3.165 -12.100 1.00 0.00 C ATOM 73 CD GLN A 6 -11.044 2.151 -10.983 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.851 1.936 -10.079 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.883 1.513 -11.015 1.00 0.00 N ATOM 0 H GLN A 6 -12.875 5.648 -11.649 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.073 4.629 -9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.889 5.154 -12.793 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.580 4.385 -11.917 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.425 3.316 -12.153 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.037 2.739 -13.054 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.220 1.698 -11.768 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.652 0.837 -10.287 1.00 0.00 H new ATOM 84 N GLN A 7 -9.498 7.138 -11.332 1.00 0.00 N ATOM 85 CA GLN A 7 -8.410 8.140 -11.183 1.00 0.00 C ATOM 86 C GLN A 7 -9.023 9.552 -10.977 1.00 0.00 C ATOM 87 O GLN A 7 -8.373 10.562 -11.289 1.00 0.00 O ATOM 88 CB GLN A 7 -7.484 8.158 -12.437 1.00 0.00 C ATOM 89 CG GLN A 7 -8.049 8.854 -13.696 1.00 0.00 C ATOM 90 CD GLN A 7 -9.541 8.560 -13.922 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.410 9.353 -13.557 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.873 7.426 -14.521 1.00 0.00 N ATOM 0 H GLN A 7 -9.829 7.031 -12.291 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.811 7.863 -10.315 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -6.550 8.649 -12.165 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.239 7.128 -12.696 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.905 9.931 -13.605 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.483 8.529 -14.569 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.147 6.775 -14.820 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.855 7.204 -14.683 1.00 0.00 H new ATOM 101 N ALA A 8 -10.261 9.623 -10.456 1.00 0.00 N ATOM 102 CA ALA A 8 -10.966 10.909 -10.204 1.00 0.00 C ATOM 103 C ALA A 8 -10.541 11.483 -8.824 1.00 0.00 C ATOM 104 O ALA A 8 -10.174 12.658 -8.715 1.00 0.00 O ATOM 105 CB ALA A 8 -12.487 10.677 -10.287 1.00 0.00 C ATOM 0 H ALA A 8 -10.805 8.800 -10.196 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.693 11.644 -10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.009 11.616 -10.103 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.745 10.307 -11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.785 9.944 -9.537 1.00 0.00 H new ATOM 111 N GLU A 9 -10.584 10.628 -7.785 1.00 0.00 N ATOM 112 CA GLU A 9 -10.300 11.032 -6.382 1.00 0.00 C ATOM 113 C GLU A 9 -8.765 11.018 -6.149 1.00 0.00 C ATOM 114 O GLU A 9 -8.232 11.847 -5.400 1.00 0.00 O ATOM 115 CB GLU A 9 -11.046 10.128 -5.358 1.00 0.00 C ATOM 116 CG GLU A 9 -10.705 8.620 -5.395 1.00 0.00 C ATOM 117 CD GLU A 9 -10.948 7.916 -4.058 1.00 0.00 C ATOM 118 OE1 GLU A 9 -10.832 8.572 -2.998 1.00 0.00 O ATOM 119 OE2 GLU A 9 -11.259 6.705 -4.058 1.00 0.00 O ATOM 0 H GLU A 9 -10.815 9.640 -7.887 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.674 12.043 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.835 10.501 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.118 10.240 -5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.304 8.137 -6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.660 8.497 -5.679 1.00 0.00 H new ATOM 126 N ALA A 10 -8.073 10.048 -6.775 1.00 0.00 N ATOM 127 CA ALA A 10 -6.614 9.836 -6.579 1.00 0.00 C ATOM 128 C ALA A 10 -5.818 11.014 -7.204 1.00 0.00 C ATOM 129 O ALA A 10 -4.780 11.427 -6.674 1.00 0.00 O ATOM 130 CB ALA A 10 -6.214 8.480 -7.193 1.00 0.00 C ATOM 0 H ALA A 10 -8.499 9.390 -7.428 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.376 9.812 -5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.145 8.318 -7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.769 7.681 -6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.444 8.481 -8.258 1.00 0.00 H new ATOM 136 N ARG A 11 -6.342 11.558 -8.318 1.00 0.00 N ATOM 137 CA ARG A 11 -5.679 12.643 -9.089 1.00 0.00 C ATOM 138 C ARG A 11 -5.812 13.960 -8.277 1.00 0.00 C ATOM 139 O ARG A 11 -4.904 14.800 -8.285 1.00 0.00 O ATOM 140 CB ARG A 11 -6.314 12.780 -10.501 1.00 0.00 C ATOM 141 CG ARG A 11 -5.500 13.629 -11.505 1.00 0.00 C ATOM 142 CD ARG A 11 -6.372 14.221 -12.629 1.00 0.00 C ATOM 143 NE ARG A 11 -7.389 13.251 -13.107 1.00 0.00 N ATOM 144 CZ ARG A 11 -8.654 13.573 -13.446 1.00 0.00 C ATOM 145 NH1 ARG A 11 -9.292 14.568 -12.846 1.00 0.00 N ATOM 146 NH2 ARG A 11 -9.309 12.886 -14.373 1.00 0.00 N ATOM 0 H ARG A 11 -7.235 11.263 -8.714 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.624 12.411 -9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.451 11.783 -10.919 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.305 13.221 -10.396 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.004 14.439 -10.971 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.717 13.012 -11.945 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.870 15.121 -12.267 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.736 14.521 -13.462 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.112 12.272 -13.184 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.826 15.105 -12.114 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.249 14.797 -13.116 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.856 12.101 -14.841 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.265 13.143 -14.617 1.00 0.00 H new ATOM 160 N ALA A 12 -6.967 14.134 -7.607 1.00 0.00 N ATOM 161 CA ALA A 12 -7.251 15.336 -6.778 1.00 0.00 C ATOM 162 C ALA A 12 -6.360 15.324 -5.507 1.00 0.00 C ATOM 163 O ALA A 12 -5.997 16.383 -4.980 1.00 0.00 O ATOM 164 CB ALA A 12 -8.752 15.371 -6.428 1.00 0.00 C ATOM 0 H ALA A 12 -7.728 13.455 -7.620 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.013 16.242 -7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.963 16.251 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.339 15.414 -7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.017 14.473 -5.870 1.00 0.00 H new ATOM 170 N PHE A 13 -6.023 14.114 -5.023 1.00 0.00 N ATOM 171 CA PHE A 13 -5.183 13.931 -3.809 1.00 0.00 C ATOM 172 C PHE A 13 -3.760 14.495 -4.073 1.00 0.00 C ATOM 173 O PHE A 13 -3.261 15.331 -3.311 1.00 0.00 O ATOM 174 CB PHE A 13 -5.183 12.426 -3.414 1.00 0.00 C ATOM 175 CG PHE A 13 -4.523 12.106 -2.058 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.128 12.128 -1.929 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.309 11.804 -0.940 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.531 11.844 -0.703 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.709 11.518 0.285 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.321 11.536 0.401 1.00 0.00 C ATOM 0 H PHE A 13 -6.319 13.238 -5.453 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.589 14.487 -2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.214 12.072 -3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.669 11.862 -4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.513 12.366 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.385 11.793 -1.027 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.455 11.863 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.320 11.283 1.144 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.857 11.310 1.350 1.00 0.00 H new ATOM 190 N LEU A 14 -3.137 14.041 -5.177 1.00 0.00 N ATOM 191 CA LEU A 14 -1.759 14.446 -5.562 1.00 0.00 C ATOM 192 C LEU A 14 -1.833 15.126 -6.957 1.00 0.00 C ATOM 193 O LEU A 14 -2.243 14.502 -7.942 1.00 0.00 O ATOM 194 CB LEU A 14 -0.798 13.220 -5.564 1.00 0.00 C ATOM 195 CG LEU A 14 -1.441 11.806 -5.661 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.920 11.471 -7.089 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.471 10.716 -5.164 1.00 0.00 C ATOM 0 H LEU A 14 -3.567 13.385 -5.829 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.354 15.151 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.108 13.334 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.202 13.257 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.318 11.825 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.360 10.474 -7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.666 12.201 -7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.072 11.501 -7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.949 9.740 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.433 10.729 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.210 10.908 -4.123 1.00 0.00 H new ATOM 209 N SER A 15 -1.430 16.409 -7.018 1.00 0.00 N ATOM 210 CA SER A 15 -1.538 17.239 -8.247 1.00 0.00 C ATOM 211 C SER A 15 -0.532 16.734 -9.317 1.00 0.00 C ATOM 212 O SER A 15 -0.120 15.568 -9.298 1.00 0.00 O ATOM 213 CB SER A 15 -1.313 18.725 -7.885 1.00 0.00 C ATOM 214 OG SER A 15 -1.815 19.026 -6.587 1.00 0.00 O ATOM 0 H SER A 15 -1.022 16.903 -6.225 1.00 0.00 H new ATOM 0 HA SER A 15 -2.536 17.149 -8.676 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.248 18.954 -7.927 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.805 19.359 -8.623 1.00 0.00 H new ATOM 0 HG SER A 15 -1.657 19.972 -6.386 1.00 0.00 H new ATOM 220 N GLU A 16 -0.173 17.621 -10.263 1.00 0.00 N ATOM 221 CA GLU A 16 0.752 17.290 -11.381 1.00 0.00 C ATOM 222 C GLU A 16 2.209 17.281 -10.839 1.00 0.00 C ATOM 223 O GLU A 16 3.048 16.510 -11.323 1.00 0.00 O ATOM 224 CB GLU A 16 0.536 18.272 -12.567 1.00 0.00 C ATOM 225 CG GLU A 16 1.469 18.094 -13.789 1.00 0.00 C ATOM 226 CD GLU A 16 1.202 19.076 -14.933 1.00 0.00 C ATOM 227 OE1 GLU A 16 0.068 19.595 -15.033 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.123 19.331 -15.740 1.00 0.00 O ATOM 0 H GLU A 16 -0.509 18.584 -10.281 1.00 0.00 H new ATOM 0 HA GLU A 16 0.545 16.296 -11.776 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.495 18.174 -12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.653 19.289 -12.193 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.503 18.207 -13.462 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.364 17.077 -14.167 1.00 0.00 H new ATOM 235 N GLU A 17 2.489 18.168 -9.859 1.00 0.00 N ATOM 236 CA GLU A 17 3.867 18.346 -9.318 1.00 0.00 C ATOM 237 C GLU A 17 4.328 16.987 -8.721 1.00 0.00 C ATOM 238 O GLU A 17 5.478 16.574 -8.908 1.00 0.00 O ATOM 239 CB GLU A 17 3.935 19.521 -8.300 1.00 0.00 C ATOM 240 CG GLU A 17 3.905 20.950 -8.892 1.00 0.00 C ATOM 241 CD GLU A 17 2.507 21.433 -9.292 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.064 21.133 -10.423 1.00 0.00 O ATOM 243 OE2 GLU A 17 1.847 22.117 -8.478 1.00 0.00 O ATOM 0 H GLU A 17 1.790 18.770 -9.425 1.00 0.00 H new ATOM 0 HA GLU A 17 4.556 18.627 -10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.099 19.421 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.848 19.413 -7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.322 21.643 -8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.553 20.982 -9.768 1.00 0.00 H new ATOM 250 N MET A 18 3.422 16.322 -7.979 1.00 0.00 N ATOM 251 CA MET A 18 3.735 15.065 -7.248 1.00 0.00 C ATOM 252 C MET A 18 3.654 13.891 -8.263 1.00 0.00 C ATOM 253 O MET A 18 4.451 12.947 -8.199 1.00 0.00 O ATOM 254 CB MET A 18 2.786 14.861 -6.034 1.00 0.00 C ATOM 255 CG MET A 18 2.418 16.134 -5.248 1.00 0.00 C ATOM 256 SD MET A 18 3.908 17.086 -4.878 1.00 0.00 S ATOM 257 CE MET A 18 4.546 16.201 -3.441 1.00 0.00 C ATOM 0 H MET A 18 2.457 16.633 -7.866 1.00 0.00 H new ATOM 0 HA MET A 18 4.740 15.113 -6.829 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.866 14.398 -6.390 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.253 14.155 -5.347 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.724 16.741 -5.828 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.909 15.865 -4.322 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.466 16.676 -3.100 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.807 16.226 -2.640 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.751 15.166 -3.713 1.00 0.00 H new ATOM 267 N ILE A 19 2.679 13.967 -9.188 1.00 0.00 N ATOM 268 CA ILE A 19 2.392 12.880 -10.163 1.00 0.00 C ATOM 269 C ILE A 19 3.720 12.607 -10.920 1.00 0.00 C ATOM 270 O ILE A 19 4.010 11.460 -11.285 1.00 0.00 O ATOM 271 CB ILE A 19 1.163 13.226 -11.085 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.150 12.510 -10.633 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.440 12.930 -12.584 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.442 13.335 -10.760 1.00 0.00 C ATOM 0 H ILE A 19 2.067 14.777 -9.286 1.00 0.00 H new ATOM 0 HA ILE A 19 2.075 11.962 -9.668 1.00 0.00 H new ATOM 0 HB ILE A 19 1.017 14.300 -10.973 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.265 11.599 -11.220 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.036 12.207 -9.592 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.560 13.187 -13.174 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.289 13.524 -12.921 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.665 11.871 -12.710 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.289 12.740 -10.419 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.361 14.234 -10.149 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.593 13.616 -11.802 1.00 0.00 H new ATOM 286 N ALA A 20 4.502 13.671 -11.178 1.00 0.00 N ATOM 287 CA ALA A 20 5.746 13.590 -11.990 1.00 0.00 C ATOM 288 C ALA A 20 6.725 12.554 -11.373 1.00 0.00 C ATOM 289 O ALA A 20 7.309 11.732 -12.089 1.00 0.00 O ATOM 290 CB ALA A 20 6.378 14.993 -12.083 1.00 0.00 C ATOM 0 H ALA A 20 4.297 14.610 -10.835 1.00 0.00 H new ATOM 0 HA ALA A 20 5.513 13.250 -12.999 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.291 14.942 -12.677 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.675 15.678 -12.556 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.616 15.352 -11.082 1.00 0.00 H new ATOM 296 N GLU A 21 6.914 12.631 -10.042 1.00 0.00 N ATOM 297 CA GLU A 21 7.871 11.762 -9.308 1.00 0.00 C ATOM 298 C GLU A 21 7.465 10.281 -9.541 1.00 0.00 C ATOM 299 O GLU A 21 8.321 9.406 -9.710 1.00 0.00 O ATOM 300 CB GLU A 21 7.922 12.165 -7.806 1.00 0.00 C ATOM 301 CG GLU A 21 9.120 13.040 -7.366 1.00 0.00 C ATOM 302 CD GLU A 21 8.985 14.521 -7.733 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.340 14.896 -8.873 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.520 15.315 -6.886 1.00 0.00 O ATOM 0 H GLU A 21 6.415 13.290 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 21 8.887 11.890 -9.682 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.003 12.699 -7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.928 11.254 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.240 12.955 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.029 12.646 -7.820 1.00 0.00 H new ATOM 311 N PHE A 22 6.143 10.027 -9.575 1.00 0.00 N ATOM 312 CA PHE A 22 5.578 8.661 -9.731 1.00 0.00 C ATOM 313 C PHE A 22 5.850 8.166 -11.179 1.00 0.00 C ATOM 314 O PHE A 22 5.970 6.958 -11.416 1.00 0.00 O ATOM 315 CB PHE A 22 4.058 8.655 -9.384 1.00 0.00 C ATOM 316 CG PHE A 22 3.727 8.548 -7.881 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.092 9.574 -7.001 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.079 7.414 -7.380 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.833 9.454 -5.638 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.822 7.297 -6.016 1.00 0.00 C ATOM 321 CZ PHE A 22 3.178 8.327 -5.150 1.00 0.00 C ATOM 0 H PHE A 22 5.434 10.756 -9.496 1.00 0.00 H new ATOM 0 HA PHE A 22 6.061 7.974 -9.036 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.609 9.568 -9.774 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.586 7.821 -9.904 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.576 10.462 -7.381 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.777 6.626 -8.054 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.141 10.236 -4.959 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.347 6.407 -5.630 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.946 8.252 -4.098 1.00 0.00 H new ATOM 331 N LYS A 23 5.912 9.109 -12.137 1.00 0.00 N ATOM 332 CA LYS A 23 6.103 8.803 -13.581 1.00 0.00 C ATOM 333 C LYS A 23 7.391 7.948 -13.726 1.00 0.00 C ATOM 334 O LYS A 23 7.383 6.901 -14.386 1.00 0.00 O ATOM 335 CB LYS A 23 6.198 10.105 -14.430 1.00 0.00 C ATOM 336 CG LYS A 23 4.875 10.676 -14.994 1.00 0.00 C ATOM 337 CD LYS A 23 5.042 11.659 -16.173 1.00 0.00 C ATOM 338 CE LYS A 23 4.964 10.961 -17.542 1.00 0.00 C ATOM 339 NZ LYS A 23 4.197 11.761 -18.514 1.00 0.00 N ATOM 0 H LYS A 23 5.832 10.107 -11.940 1.00 0.00 H new ATOM 0 HA LYS A 23 5.242 8.249 -13.955 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.665 10.876 -13.817 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.869 9.915 -15.268 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.247 9.846 -15.318 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.343 11.183 -14.189 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.268 12.424 -16.115 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.002 12.168 -16.083 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.971 10.792 -17.923 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.498 9.982 -17.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.164 11.262 -19.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.229 11.901 -18.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.656 12.685 -18.642 1.00 0.00 H new ATOM 353 N ALA A 24 8.498 8.425 -13.127 1.00 0.00 N ATOM 354 CA ALA A 24 9.834 7.786 -13.264 1.00 0.00 C ATOM 355 C ALA A 24 9.742 6.278 -12.899 1.00 0.00 C ATOM 356 O ALA A 24 10.060 5.403 -13.714 1.00 0.00 O ATOM 357 CB ALA A 24 10.844 8.533 -12.371 1.00 0.00 C ATOM 0 H ALA A 24 8.500 9.257 -12.537 1.00 0.00 H new ATOM 0 HA ALA A 24 10.178 7.850 -14.296 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.826 8.070 -12.466 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.903 9.576 -12.682 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.518 8.482 -11.332 1.00 0.00 H new ATOM 363 N ALA A 25 9.331 5.995 -11.649 1.00 0.00 N ATOM 364 CA ALA A 25 9.260 4.612 -11.108 1.00 0.00 C ATOM 365 C ALA A 25 8.270 3.746 -11.935 1.00 0.00 C ATOM 366 O ALA A 25 8.421 2.520 -12.011 1.00 0.00 O ATOM 367 CB ALA A 25 8.855 4.678 -9.621 1.00 0.00 C ATOM 0 H ALA A 25 9.039 6.710 -10.983 1.00 0.00 H new ATOM 0 HA ALA A 25 10.237 4.135 -11.186 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.800 3.668 -9.214 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.597 5.253 -9.067 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.881 5.160 -9.530 1.00 0.00 H new ATOM 373 N PHE A 26 7.260 4.398 -12.544 1.00 0.00 N ATOM 374 CA PHE A 26 6.170 3.699 -13.275 1.00 0.00 C ATOM 375 C PHE A 26 6.793 2.979 -14.502 1.00 0.00 C ATOM 376 O PHE A 26 6.369 1.877 -14.870 1.00 0.00 O ATOM 377 CB PHE A 26 5.039 4.688 -13.689 1.00 0.00 C ATOM 378 CG PHE A 26 4.087 4.168 -14.790 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.161 3.159 -14.504 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.126 4.718 -16.077 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.281 2.715 -15.488 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.243 4.274 -17.058 1.00 0.00 C ATOM 383 CZ PHE A 26 2.341 3.254 -16.771 1.00 0.00 C ATOM 0 H PHE A 26 7.171 5.414 -12.547 1.00 0.00 H new ATOM 0 HA PHE A 26 5.700 2.961 -12.625 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.449 4.932 -12.805 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.496 5.616 -14.033 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.128 2.723 -13.517 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.844 5.490 -16.310 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.552 1.953 -15.256 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.258 4.721 -18.041 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.686 2.880 -17.544 1.00 0.00 H new ATOM 393 N ASP A 27 7.804 3.617 -15.121 1.00 0.00 N ATOM 394 CA ASP A 27 8.565 3.023 -16.253 1.00 0.00 C ATOM 395 C ASP A 27 9.425 1.848 -15.712 1.00 0.00 C ATOM 396 O ASP A 27 9.588 0.826 -16.389 1.00 0.00 O ATOM 397 CB ASP A 27 9.412 4.094 -17.000 1.00 0.00 C ATOM 398 CG ASP A 27 8.627 5.101 -17.857 1.00 0.00 C ATOM 399 OD1 ASP A 27 8.283 4.774 -19.014 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.347 6.219 -17.371 1.00 0.00 O ATOM 0 H ASP A 27 8.120 4.551 -14.859 1.00 0.00 H new ATOM 0 HA ASP A 27 7.871 2.632 -16.997 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.991 4.649 -16.262 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.126 3.579 -17.643 1.00 0.00 H new ATOM 405 N MET A 28 9.971 2.017 -14.491 1.00 0.00 N ATOM 406 CA MET A 28 10.804 0.978 -13.826 1.00 0.00 C ATOM 407 C MET A 28 10.029 -0.366 -13.901 1.00 0.00 C ATOM 408 O MET A 28 10.609 -1.413 -14.210 1.00 0.00 O ATOM 409 CB MET A 28 11.161 1.368 -12.363 1.00 0.00 C ATOM 410 CG MET A 28 12.465 0.765 -11.808 1.00 0.00 C ATOM 411 SD MET A 28 12.467 0.847 -10.003 1.00 0.00 S ATOM 412 CE MET A 28 13.930 1.858 -9.697 1.00 0.00 C ATOM 0 H MET A 28 9.853 2.866 -13.938 1.00 0.00 H new ATOM 0 HA MET A 28 11.760 0.882 -14.340 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.231 2.454 -12.303 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.338 1.065 -11.715 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.563 -0.271 -12.133 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.323 1.306 -12.205 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.060 1.995 -8.623 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.808 1.361 -10.108 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.807 2.830 -10.174 1.00 0.00 H new ATOM 422 N PHE A 29 8.720 -0.319 -13.588 1.00 0.00 N ATOM 423 CA PHE A 29 7.862 -1.531 -13.508 1.00 0.00 C ATOM 424 C PHE A 29 7.594 -2.040 -14.951 1.00 0.00 C ATOM 425 O PHE A 29 7.513 -3.251 -15.189 1.00 0.00 O ATOM 426 CB PHE A 29 6.542 -1.224 -12.742 1.00 0.00 C ATOM 427 CG PHE A 29 6.722 -0.621 -11.334 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.923 -0.799 -10.638 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.682 0.099 -10.732 1.00 0.00 C ATOM 430 CE1 PHE A 29 8.074 -0.284 -9.353 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.836 0.613 -9.447 1.00 0.00 C ATOM 432 CZ PHE A 29 7.028 0.416 -8.756 1.00 0.00 C ATOM 0 H PHE A 29 8.225 0.549 -13.384 1.00 0.00 H new ATOM 0 HA PHE A 29 8.370 -2.315 -12.946 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.946 -0.535 -13.341 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.970 -2.147 -12.653 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.737 -1.338 -11.100 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.757 0.256 -11.267 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.002 -0.427 -8.819 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.030 1.165 -8.986 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.142 0.806 -7.756 1.00 0.00 H new ATOM 442 N ASP A 30 7.437 -1.096 -15.898 1.00 0.00 N ATOM 443 CA ASP A 30 7.117 -1.412 -17.315 1.00 0.00 C ATOM 444 C ASP A 30 8.109 -2.497 -17.819 1.00 0.00 C ATOM 445 O ASP A 30 7.689 -3.546 -18.322 1.00 0.00 O ATOM 446 CB ASP A 30 7.125 -0.135 -18.205 1.00 0.00 C ATOM 447 CG ASP A 30 6.266 -0.194 -19.480 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.372 -1.065 -19.569 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.480 0.636 -20.391 1.00 0.00 O ATOM 0 H ASP A 30 7.526 -0.097 -15.711 1.00 0.00 H new ATOM 0 HA ASP A 30 6.103 -1.807 -17.382 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.785 0.706 -17.601 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.155 0.075 -18.494 1.00 0.00 H new ATOM 454 N ALA A 31 9.419 -2.215 -17.706 1.00 0.00 N ATOM 455 CA ALA A 31 10.525 -3.119 -18.126 1.00 0.00 C ATOM 456 C ALA A 31 10.892 -2.872 -19.616 1.00 0.00 C ATOM 457 O ALA A 31 12.076 -2.900 -19.982 1.00 0.00 O ATOM 458 CB ALA A 31 10.134 -4.589 -17.870 1.00 0.00 C ATOM 0 H ALA A 31 9.754 -1.336 -17.313 1.00 0.00 H new ATOM 0 HA ALA A 31 11.412 -2.901 -17.531 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.950 -5.242 -18.181 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.938 -4.734 -16.808 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.238 -4.832 -18.441 1.00 0.00 H new ATOM 464 N ASP A 32 9.871 -2.631 -20.459 1.00 0.00 N ATOM 465 CA ASP A 32 10.054 -2.353 -21.908 1.00 0.00 C ATOM 466 C ASP A 32 9.937 -0.823 -22.140 1.00 0.00 C ATOM 467 O ASP A 32 10.946 -0.129 -22.313 1.00 0.00 O ATOM 468 CB ASP A 32 9.055 -3.170 -22.779 1.00 0.00 C ATOM 469 CG ASP A 32 7.801 -3.694 -22.059 1.00 0.00 C ATOM 470 OD1 ASP A 32 7.904 -4.699 -21.320 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.711 -3.107 -22.234 1.00 0.00 O ATOM 0 H ASP A 32 8.895 -2.622 -20.162 1.00 0.00 H new ATOM 0 HA ASP A 32 11.046 -2.677 -22.222 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.736 -2.545 -23.613 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.587 -4.021 -23.204 1.00 0.00 H new ATOM 476 N GLY A 33 8.690 -0.315 -22.171 1.00 0.00 N ATOM 477 CA GLY A 33 8.408 1.118 -22.453 1.00 0.00 C ATOM 478 C GLY A 33 7.295 1.282 -23.521 1.00 0.00 C ATOM 479 O GLY A 33 7.389 2.131 -24.416 1.00 0.00 O ATOM 0 H GLY A 33 7.853 -0.874 -22.004 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.106 1.618 -21.533 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.319 1.608 -22.798 1.00 0.00 H new ATOM 483 N GLY A 34 6.222 0.475 -23.395 1.00 0.00 N ATOM 484 CA GLY A 34 5.028 0.585 -24.270 1.00 0.00 C ATOM 485 C GLY A 34 4.155 1.791 -23.839 1.00 0.00 C ATOM 486 O GLY A 34 4.084 2.810 -24.536 1.00 0.00 O ATOM 0 H GLY A 34 6.154 -0.263 -22.695 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.339 0.705 -25.308 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.443 -0.333 -24.216 1.00 0.00 H new ATOM 490 N GLY A 35 3.503 1.664 -22.666 1.00 0.00 N ATOM 491 CA GLY A 35 2.715 2.766 -22.060 1.00 0.00 C ATOM 492 C GLY A 35 1.866 2.231 -20.878 1.00 0.00 C ATOM 493 O GLY A 35 1.575 2.964 -19.925 1.00 0.00 O ATOM 0 H GLY A 35 3.504 0.806 -22.114 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.385 3.552 -21.710 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.064 3.213 -22.811 1.00 0.00 H new ATOM 497 N ASP A 36 1.463 0.949 -20.968 1.00 0.00 N ATOM 498 CA ASP A 36 0.692 0.256 -19.903 1.00 0.00 C ATOM 499 C ASP A 36 1.492 -0.996 -19.445 1.00 0.00 C ATOM 500 O ASP A 36 2.278 -1.557 -20.217 1.00 0.00 O ATOM 501 CB ASP A 36 -0.750 -0.093 -20.371 1.00 0.00 C ATOM 502 CG ASP A 36 -1.195 0.526 -21.708 1.00 0.00 C ATOM 503 OD1 ASP A 36 -1.480 1.743 -21.745 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.253 -0.203 -22.723 1.00 0.00 O ATOM 0 H ASP A 36 1.659 0.360 -21.777 1.00 0.00 H new ATOM 0 HA ASP A 36 0.566 0.922 -19.049 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.832 -1.177 -20.450 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.448 0.224 -19.597 1.00 0.00 H new ATOM 509 N ILE A 37 1.266 -1.425 -18.188 1.00 0.00 N ATOM 510 CA ILE A 37 2.012 -2.546 -17.556 1.00 0.00 C ATOM 511 C ILE A 37 1.235 -3.871 -17.790 1.00 0.00 C ATOM 512 O ILE A 37 0.089 -3.855 -18.260 1.00 0.00 O ATOM 513 CB ILE A 37 2.363 -2.307 -16.040 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.402 -0.812 -15.591 1.00 0.00 C ATOM 515 CG2 ILE A 37 3.659 -3.057 -15.642 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.148 -0.527 -14.277 1.00 0.00 C ATOM 0 H ILE A 37 0.563 -1.009 -17.577 1.00 0.00 H new ATOM 0 HA ILE A 37 2.986 -2.612 -18.041 1.00 0.00 H new ATOM 0 HB ILE A 37 1.523 -2.730 -15.489 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.866 -0.226 -16.384 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.377 -0.456 -15.489 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.877 -2.874 -14.590 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.525 -4.127 -15.804 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.488 -2.699 -16.252 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.112 0.541 -14.062 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.675 -1.077 -13.463 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.187 -0.843 -14.372 1.00 0.00 H new ATOM 528 N SER A 38 1.867 -5.011 -17.455 1.00 0.00 N ATOM 529 CA SER A 38 1.248 -6.355 -17.608 1.00 0.00 C ATOM 530 C SER A 38 1.639 -7.255 -16.404 1.00 0.00 C ATOM 531 O SER A 38 2.196 -6.774 -15.411 1.00 0.00 O ATOM 532 CB SER A 38 1.674 -6.966 -18.963 1.00 0.00 C ATOM 533 OG SER A 38 2.896 -7.688 -18.849 1.00 0.00 O ATOM 0 H SER A 38 2.813 -5.035 -17.073 1.00 0.00 H new ATOM 0 HA SER A 38 0.161 -6.273 -17.610 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.890 -7.631 -19.326 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.787 -6.172 -19.702 1.00 0.00 H new ATOM 0 HG SER A 38 3.137 -8.063 -19.722 1.00 0.00 H new ATOM 539 N THR A 39 1.347 -8.564 -16.522 1.00 0.00 N ATOM 540 CA THR A 39 1.644 -9.570 -15.468 1.00 0.00 C ATOM 541 C THR A 39 3.113 -10.048 -15.630 1.00 0.00 C ATOM 542 O THR A 39 3.874 -10.085 -14.654 1.00 0.00 O ATOM 543 CB THR A 39 0.623 -10.752 -15.480 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.153 -10.737 -16.676 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.348 -10.791 -14.285 1.00 0.00 C ATOM 0 H THR A 39 0.899 -8.960 -17.348 1.00 0.00 H new ATOM 0 HA THR A 39 1.534 -9.107 -14.488 1.00 0.00 H new ATOM 0 HB THR A 39 1.248 -11.642 -15.414 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.785 -11.486 -16.665 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.015 -11.647 -14.386 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.219 -10.880 -13.358 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.936 -9.873 -14.264 1.00 0.00 H new ATOM 553 N LYS A 40 3.497 -10.416 -16.867 1.00 0.00 N ATOM 554 CA LYS A 40 4.870 -10.899 -17.177 1.00 0.00 C ATOM 555 C LYS A 40 5.884 -9.777 -16.824 1.00 0.00 C ATOM 556 O LYS A 40 6.989 -10.053 -16.342 1.00 0.00 O ATOM 557 CB LYS A 40 4.930 -11.356 -18.664 1.00 0.00 C ATOM 558 CG LYS A 40 6.326 -11.743 -19.215 1.00 0.00 C ATOM 559 CD LYS A 40 6.411 -12.683 -20.441 1.00 0.00 C ATOM 560 CE LYS A 40 6.772 -12.031 -21.793 1.00 0.00 C ATOM 561 NZ LYS A 40 6.342 -12.816 -22.965 1.00 0.00 N ATOM 0 H LYS A 40 2.877 -10.390 -17.677 1.00 0.00 H new ATOM 0 HA LYS A 40 5.137 -11.769 -16.577 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.267 -12.213 -18.784 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.530 -10.554 -19.284 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.847 -10.820 -19.470 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.883 -12.209 -18.403 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.151 -13.454 -20.227 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.450 -13.185 -20.552 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.316 -11.042 -21.842 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.851 -11.887 -21.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.617 -12.319 -23.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.796 -13.751 -22.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.309 -12.933 -22.945 1.00 0.00 H new ATOM 575 N GLU A 41 5.489 -8.515 -17.073 1.00 0.00 N ATOM 576 CA GLU A 41 6.376 -7.335 -16.897 1.00 0.00 C ATOM 577 C GLU A 41 6.584 -7.080 -15.380 1.00 0.00 C ATOM 578 O GLU A 41 7.712 -7.139 -14.876 1.00 0.00 O ATOM 579 CB GLU A 41 5.815 -6.091 -17.645 1.00 0.00 C ATOM 580 CG GLU A 41 5.852 -6.103 -19.193 1.00 0.00 C ATOM 581 CD GLU A 41 5.206 -4.878 -19.848 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.954 -3.877 -19.141 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.952 -4.909 -21.072 1.00 0.00 O ATOM 0 H GLU A 41 4.552 -8.278 -17.400 1.00 0.00 H new ATOM 0 HA GLU A 41 7.349 -7.536 -17.344 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.779 -5.953 -17.336 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.369 -5.217 -17.303 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.890 -6.170 -19.520 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.347 -7.000 -19.550 1.00 0.00 H new ATOM 590 N LEU A 42 5.482 -6.766 -14.673 1.00 0.00 N ATOM 591 CA LEU A 42 5.516 -6.386 -13.236 1.00 0.00 C ATOM 592 C LEU A 42 6.323 -7.468 -12.469 1.00 0.00 C ATOM 593 O LEU A 42 7.051 -7.164 -11.517 1.00 0.00 O ATOM 594 CB LEU A 42 4.072 -6.231 -12.669 1.00 0.00 C ATOM 595 CG LEU A 42 3.918 -6.111 -11.124 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.069 -4.659 -10.626 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.570 -6.690 -10.651 1.00 0.00 C ATOM 0 H LEU A 42 4.544 -6.767 -15.074 1.00 0.00 H new ATOM 0 HA LEU A 42 6.003 -5.419 -13.113 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.626 -5.346 -13.122 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.486 -7.088 -13.000 1.00 0.00 H new ATOM 0 HG LEU A 42 4.729 -6.696 -10.690 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.953 -4.632 -9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.056 -4.283 -10.895 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.305 -4.034 -11.088 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.492 -6.592 -9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.754 -6.145 -11.125 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.510 -7.743 -10.925 1.00 0.00 H new ATOM 609 N GLY A 43 6.156 -8.740 -12.881 1.00 0.00 N ATOM 610 CA GLY A 43 6.763 -9.903 -12.187 1.00 0.00 C ATOM 611 C GLY A 43 8.279 -9.673 -11.952 1.00 0.00 C ATOM 612 O GLY A 43 8.786 -9.903 -10.846 1.00 0.00 O ATOM 0 H GLY A 43 5.601 -8.994 -13.698 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.263 -10.064 -11.232 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.615 -10.805 -12.781 1.00 0.00 H new ATOM 616 N THR A 44 8.990 -9.248 -13.012 1.00 0.00 N ATOM 617 CA THR A 44 10.468 -9.088 -12.991 1.00 0.00 C ATOM 618 C THR A 44 10.866 -8.223 -11.763 1.00 0.00 C ATOM 619 O THR A 44 11.690 -8.638 -10.938 1.00 0.00 O ATOM 620 CB THR A 44 11.013 -8.510 -14.335 1.00 0.00 C ATOM 621 OG1 THR A 44 11.489 -9.558 -15.177 1.00 0.00 O ATOM 622 CG2 THR A 44 12.137 -7.467 -14.193 1.00 0.00 C ATOM 0 H THR A 44 8.565 -9.005 -13.907 1.00 0.00 H new ATOM 0 HA THR A 44 10.933 -10.068 -12.890 1.00 0.00 H new ATOM 0 HB THR A 44 10.156 -7.997 -14.770 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.825 -9.177 -16.015 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.446 -7.128 -15.182 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.774 -6.617 -13.615 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.988 -7.917 -13.682 1.00 0.00 H new ATOM 630 N VAL A 45 10.291 -7.009 -11.677 1.00 0.00 N ATOM 631 CA VAL A 45 10.642 -6.005 -10.638 1.00 0.00 C ATOM 632 C VAL A 45 10.458 -6.679 -9.251 1.00 0.00 C ATOM 633 O VAL A 45 11.289 -6.496 -8.350 1.00 0.00 O ATOM 634 CB VAL A 45 9.826 -4.673 -10.807 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.317 -4.106 -9.461 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.594 -3.547 -11.544 1.00 0.00 C ATOM 0 H VAL A 45 9.569 -6.690 -12.323 1.00 0.00 H new ATOM 0 HA VAL A 45 11.682 -5.694 -10.741 1.00 0.00 H new ATOM 0 HB VAL A 45 8.981 -4.975 -11.426 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.761 -3.186 -9.641 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.665 -4.836 -8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.166 -3.895 -8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.961 -2.663 -11.619 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.498 -3.299 -10.988 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.864 -3.885 -12.544 1.00 0.00 H new ATOM 646 N MET A 46 9.352 -7.428 -9.082 1.00 0.00 N ATOM 647 CA MET A 46 8.981 -8.046 -7.781 1.00 0.00 C ATOM 648 C MET A 46 10.197 -8.874 -7.284 1.00 0.00 C ATOM 649 O MET A 46 10.716 -8.637 -6.185 1.00 0.00 O ATOM 650 CB MET A 46 7.692 -8.905 -7.906 1.00 0.00 C ATOM 651 CG MET A 46 6.364 -8.122 -7.907 1.00 0.00 C ATOM 652 SD MET A 46 4.979 -9.249 -7.636 1.00 0.00 S ATOM 653 CE MET A 46 4.704 -9.051 -5.863 1.00 0.00 C ATOM 0 H MET A 46 8.691 -7.625 -9.833 1.00 0.00 H new ATOM 0 HA MET A 46 8.747 -7.273 -7.049 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.752 -9.484 -8.827 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.671 -9.618 -7.082 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.381 -7.360 -7.127 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.240 -7.603 -8.857 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.876 -9.687 -5.550 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.606 -9.336 -5.321 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.464 -8.010 -5.646 1.00 0.00 H new ATOM 663 N ARG A 47 10.618 -9.862 -8.094 1.00 0.00 N ATOM 664 CA ARG A 47 11.773 -10.746 -7.785 1.00 0.00 C ATOM 665 C ARG A 47 13.085 -10.106 -8.320 1.00 0.00 C ATOM 666 O ARG A 47 13.928 -10.807 -8.901 1.00 0.00 O ATOM 667 CB ARG A 47 11.554 -12.157 -8.403 1.00 0.00 C ATOM 668 CG ARG A 47 10.651 -13.096 -7.569 1.00 0.00 C ATOM 669 CD ARG A 47 9.153 -12.749 -7.675 1.00 0.00 C ATOM 670 NE ARG A 47 8.306 -13.963 -7.804 1.00 0.00 N ATOM 671 CZ ARG A 47 7.505 -14.455 -6.834 1.00 0.00 C ATOM 672 NH1 ARG A 47 7.364 -13.901 -5.631 1.00 0.00 N ATOM 673 NH2 ARG A 47 6.817 -15.551 -7.096 1.00 0.00 N ATOM 0 H ARG A 47 10.170 -10.076 -8.985 1.00 0.00 H new ATOM 0 HA ARG A 47 11.857 -10.859 -6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.116 -12.040 -9.394 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.525 -12.634 -8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.804 -14.124 -7.899 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.955 -13.048 -6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.848 -12.187 -6.792 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.991 -12.101 -8.537 1.00 0.00 H new ATOM 0 HE ARG A 47 8.331 -14.463 -8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.879 -13.052 -5.397 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.741 -14.325 -4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.900 -15.999 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.203 -15.949 -6.386 1.00 0.00 H new ATOM 687 N MET A 48 13.250 -8.787 -8.109 1.00 0.00 N ATOM 688 CA MET A 48 14.503 -8.061 -8.456 1.00 0.00 C ATOM 689 C MET A 48 15.661 -8.685 -7.629 1.00 0.00 C ATOM 690 O MET A 48 16.816 -8.693 -8.076 1.00 0.00 O ATOM 691 CB MET A 48 14.374 -6.529 -8.216 1.00 0.00 C ATOM 692 CG MET A 48 14.009 -5.684 -9.451 1.00 0.00 C ATOM 693 SD MET A 48 15.149 -4.291 -9.607 1.00 0.00 S ATOM 694 CE MET A 48 14.503 -3.163 -8.354 1.00 0.00 C ATOM 0 H MET A 48 12.531 -8.192 -7.698 1.00 0.00 H new ATOM 0 HA MET A 48 14.710 -8.171 -9.520 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.617 -6.363 -7.449 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.319 -6.163 -7.815 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.051 -6.301 -10.349 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.986 -5.319 -9.362 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.107 -2.256 -8.334 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.471 -2.906 -8.593 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.540 -3.645 -7.377 1.00 0.00 H new ATOM 704 N LEU A 49 15.346 -9.174 -6.416 1.00 0.00 N ATOM 705 CA LEU A 49 16.351 -9.722 -5.466 1.00 0.00 C ATOM 706 C LEU A 49 17.244 -10.732 -6.233 1.00 0.00 C ATOM 707 O LEU A 49 18.467 -10.565 -6.321 1.00 0.00 O ATOM 708 CB LEU A 49 15.651 -10.384 -4.239 1.00 0.00 C ATOM 709 CG LEU A 49 14.729 -9.487 -3.362 1.00 0.00 C ATOM 710 CD1 LEU A 49 14.472 -8.100 -3.985 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.387 -10.189 -3.067 1.00 0.00 C ATOM 0 H LEU A 49 14.391 -9.204 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 49 16.974 -8.919 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.056 -11.221 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 49 16.426 -10.800 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 49 15.265 -9.328 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.823 -7.521 -3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.420 -7.577 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.991 -8.221 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.764 -9.539 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.874 -10.403 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.574 -11.122 -2.535 1.00 0.00 H new ATOM 723 N GLY A 50 16.610 -11.770 -6.814 1.00 0.00 N ATOM 724 CA GLY A 50 17.310 -12.760 -7.672 1.00 0.00 C ATOM 725 C GLY A 50 16.544 -14.108 -7.679 1.00 0.00 C ATOM 726 O GLY A 50 16.939 -15.061 -6.995 1.00 0.00 O ATOM 0 H GLY A 50 15.612 -11.949 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.392 -12.376 -8.689 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.325 -12.914 -7.307 1.00 0.00 H new ATOM 730 N GLN A 51 15.466 -14.179 -8.483 1.00 0.00 N ATOM 731 CA GLN A 51 14.683 -15.424 -8.698 1.00 0.00 C ATOM 732 C GLN A 51 14.217 -15.456 -10.179 1.00 0.00 C ATOM 733 O GLN A 51 14.683 -14.661 -11.005 1.00 0.00 O ATOM 734 CB GLN A 51 13.495 -15.493 -7.697 1.00 0.00 C ATOM 735 CG GLN A 51 13.730 -16.330 -6.415 1.00 0.00 C ATOM 736 CD GLN A 51 14.064 -17.810 -6.672 1.00 0.00 C ATOM 737 OE1 GLN A 51 13.467 -18.460 -7.530 1.00 0.00 O ATOM 738 NE2 GLN A 51 15.015 -18.372 -5.940 1.00 0.00 N ATOM 0 H GLN A 51 15.109 -13.378 -9.004 1.00 0.00 H new ATOM 0 HA GLN A 51 15.296 -16.305 -8.509 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.237 -14.476 -7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.630 -15.901 -8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.544 -15.880 -5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.838 -16.275 -5.792 1.00 0.00 H new ATOM 0 HE21 GLN A 51 15.504 -17.825 -5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 51 15.258 -19.352 -6.085 1.00 0.00 H new ATOM 747 N ASN A 52 13.294 -16.382 -10.498 1.00 0.00 N ATOM 748 CA ASN A 52 12.666 -16.472 -11.843 1.00 0.00 C ATOM 749 C ASN A 52 11.245 -17.137 -11.747 1.00 0.00 C ATOM 750 O ASN A 52 11.176 -18.371 -11.791 1.00 0.00 O ATOM 751 CB ASN A 52 13.621 -17.256 -12.787 1.00 0.00 C ATOM 752 CG ASN A 52 13.406 -16.991 -14.292 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.756 -16.021 -14.683 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.935 -17.841 -15.160 1.00 0.00 N ATOM 0 H ASN A 52 12.960 -17.087 -9.841 1.00 0.00 H new ATOM 0 HA ASN A 52 12.514 -15.475 -12.255 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.650 -17.003 -12.531 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.499 -18.323 -12.599 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.805 -17.695 -16.161 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.472 -18.642 -14.827 1.00 0.00 H new ATOM 761 N PRO A 53 10.102 -16.388 -11.663 1.00 0.00 N ATOM 762 CA PRO A 53 8.740 -16.978 -11.609 1.00 0.00 C ATOM 763 C PRO A 53 8.240 -17.427 -13.009 1.00 0.00 C ATOM 764 O PRO A 53 8.983 -17.374 -13.996 1.00 0.00 O ATOM 765 CB PRO A 53 7.918 -15.832 -10.984 1.00 0.00 C ATOM 766 CG PRO A 53 8.622 -14.536 -11.392 1.00 0.00 C ATOM 767 CD PRO A 53 10.095 -14.911 -11.546 1.00 0.00 C ATOM 0 HA PRO A 53 8.673 -17.900 -11.032 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.890 -15.848 -11.345 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.876 -15.928 -9.899 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.216 -14.144 -12.325 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.490 -13.762 -10.636 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.532 -14.443 -12.428 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.679 -14.580 -10.687 1.00 0.00 H new ATOM 775 N THR A 54 6.971 -17.875 -13.077 1.00 0.00 N ATOM 776 CA THR A 54 6.328 -18.341 -14.334 1.00 0.00 C ATOM 777 C THR A 54 5.127 -17.408 -14.654 1.00 0.00 C ATOM 778 O THR A 54 4.677 -16.642 -13.795 1.00 0.00 O ATOM 779 CB THR A 54 5.920 -19.846 -14.262 1.00 0.00 C ATOM 780 OG1 THR A 54 6.027 -20.459 -15.544 1.00 0.00 O ATOM 781 CG2 THR A 54 4.502 -20.116 -13.723 1.00 0.00 C ATOM 0 H THR A 54 6.357 -17.926 -12.264 1.00 0.00 H new ATOM 0 HA THR A 54 7.046 -18.281 -15.152 1.00 0.00 H new ATOM 0 HB THR A 54 6.621 -20.277 -13.547 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.769 -21.402 -15.478 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.315 -21.190 -13.712 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.417 -19.723 -12.710 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.769 -19.627 -14.365 1.00 0.00 H new ATOM 789 N LYS A 55 4.643 -17.469 -15.909 1.00 0.00 N ATOM 790 CA LYS A 55 3.571 -16.569 -16.411 1.00 0.00 C ATOM 791 C LYS A 55 2.233 -16.997 -15.749 1.00 0.00 C ATOM 792 O LYS A 55 1.382 -16.154 -15.442 1.00 0.00 O ATOM 793 CB LYS A 55 3.511 -16.615 -17.969 1.00 0.00 C ATOM 794 CG LYS A 55 2.223 -16.080 -18.642 1.00 0.00 C ATOM 795 CD LYS A 55 1.031 -17.065 -18.656 1.00 0.00 C ATOM 796 CE LYS A 55 1.411 -18.540 -18.421 1.00 0.00 C ATOM 797 NZ LYS A 55 2.124 -19.149 -19.562 1.00 0.00 N ATOM 0 H LYS A 55 4.977 -18.136 -16.604 1.00 0.00 H new ATOM 0 HA LYS A 55 3.775 -15.532 -16.143 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.356 -16.047 -18.357 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.652 -17.649 -18.282 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.915 -15.169 -18.129 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.457 -15.803 -19.670 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.318 -16.761 -17.890 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.522 -16.984 -19.616 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.037 -18.609 -17.532 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.506 -19.113 -18.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.654 -19.982 -19.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.436 -19.438 -20.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.785 -18.456 -19.968 1.00 0.00 H new ATOM 811 N GLU A 56 2.054 -18.318 -15.564 1.00 0.00 N ATOM 812 CA GLU A 56 0.789 -18.902 -15.045 1.00 0.00 C ATOM 813 C GLU A 56 0.562 -18.373 -13.602 1.00 0.00 C ATOM 814 O GLU A 56 -0.466 -17.751 -13.306 1.00 0.00 O ATOM 815 CB GLU A 56 0.833 -20.455 -15.139 1.00 0.00 C ATOM 816 CG GLU A 56 -0.322 -21.223 -14.453 1.00 0.00 C ATOM 817 CD GLU A 56 -1.218 -22.003 -15.420 1.00 0.00 C ATOM 818 OE1 GLU A 56 -0.727 -22.952 -16.069 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.418 -21.668 -15.535 1.00 0.00 O ATOM 0 H GLU A 56 2.773 -19.012 -15.767 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.064 -18.594 -15.650 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.848 -20.732 -16.193 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.773 -20.796 -14.706 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.099 -21.917 -13.726 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.936 -20.514 -13.898 1.00 0.00 H new ATOM 826 N GLU A 57 1.528 -18.656 -12.707 1.00 0.00 N ATOM 827 CA GLU A 57 1.417 -18.318 -11.262 1.00 0.00 C ATOM 828 C GLU A 57 1.217 -16.785 -11.118 1.00 0.00 C ATOM 829 O GLU A 57 0.526 -16.321 -10.202 1.00 0.00 O ATOM 830 CB GLU A 57 2.642 -18.841 -10.458 1.00 0.00 C ATOM 831 CG GLU A 57 3.089 -18.030 -9.216 1.00 0.00 C ATOM 832 CD GLU A 57 2.751 -18.693 -7.877 1.00 0.00 C ATOM 833 OE1 GLU A 57 1.568 -18.671 -7.472 1.00 0.00 O ATOM 834 OE2 GLU A 57 3.668 -19.242 -7.226 1.00 0.00 O ATOM 0 H GLU A 57 2.402 -19.121 -12.955 1.00 0.00 H new ATOM 0 HA GLU A 57 0.549 -18.820 -10.834 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.420 -19.857 -10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.489 -18.903 -11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.166 -17.871 -9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.620 -17.047 -9.250 1.00 0.00 H new ATOM 841 N LEU A 58 1.855 -16.010 -12.015 1.00 0.00 N ATOM 842 CA LEU A 58 1.855 -14.524 -11.949 1.00 0.00 C ATOM 843 C LEU A 58 0.406 -14.011 -12.171 1.00 0.00 C ATOM 844 O LEU A 58 -0.039 -13.071 -11.502 1.00 0.00 O ATOM 845 CB LEU A 58 2.882 -13.980 -12.984 1.00 0.00 C ATOM 846 CG LEU A 58 3.999 -13.047 -12.435 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.149 -12.921 -13.454 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.481 -11.643 -12.056 1.00 0.00 C ATOM 0 H LEU A 58 2.383 -16.386 -12.803 1.00 0.00 H new ATOM 0 HA LEU A 58 2.168 -14.158 -10.971 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.358 -14.831 -13.471 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.334 -13.438 -13.755 1.00 0.00 H new ATOM 0 HG LEU A 58 4.365 -13.513 -11.520 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.921 -12.264 -13.052 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.574 -13.906 -13.646 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.766 -12.503 -14.385 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.307 -11.040 -11.680 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.053 -11.163 -12.936 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.717 -11.733 -11.284 1.00 0.00 H new ATOM 860 N ASP A 59 -0.300 -14.624 -13.139 1.00 0.00 N ATOM 861 CA ASP A 59 -1.713 -14.287 -13.457 1.00 0.00 C ATOM 862 C ASP A 59 -2.517 -14.209 -12.130 1.00 0.00 C ATOM 863 O ASP A 59 -3.466 -13.425 -12.012 1.00 0.00 O ATOM 864 CB ASP A 59 -2.328 -15.293 -14.472 1.00 0.00 C ATOM 865 CG ASP A 59 -3.828 -15.122 -14.770 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.659 -15.719 -14.051 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.177 -14.396 -15.728 1.00 0.00 O ATOM 0 H ASP A 59 0.085 -15.365 -13.725 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.757 -13.315 -13.948 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.780 -15.211 -15.411 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.166 -16.303 -14.095 1.00 0.00 H new ATOM 872 N ALA A 60 -2.140 -15.053 -11.152 1.00 0.00 N ATOM 873 CA ALA A 60 -2.808 -15.107 -9.825 1.00 0.00 C ATOM 874 C ALA A 60 -2.527 -13.798 -9.036 1.00 0.00 C ATOM 875 O ALA A 60 -3.440 -13.207 -8.448 1.00 0.00 O ATOM 876 CB ALA A 60 -2.320 -16.355 -9.063 1.00 0.00 C ATOM 0 H ALA A 60 -1.370 -15.715 -11.251 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.888 -15.186 -9.950 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.807 -16.400 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.568 -17.250 -9.634 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.240 -16.299 -8.927 1.00 0.00 H new ATOM 882 N ILE A 61 -1.248 -13.383 -9.011 1.00 0.00 N ATOM 883 CA ILE A 61 -0.779 -12.163 -8.300 1.00 0.00 C ATOM 884 C ILE A 61 -1.766 -11.019 -8.652 1.00 0.00 C ATOM 885 O ILE A 61 -2.293 -10.344 -7.756 1.00 0.00 O ATOM 886 CB ILE A 61 0.738 -11.863 -8.615 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.655 -12.933 -7.932 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.183 -10.430 -8.223 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.362 -14.412 -8.241 1.00 0.00 C ATOM 0 H ILE A 61 -0.498 -13.885 -9.486 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.791 -12.292 -7.218 1.00 0.00 H new ATOM 0 HB ILE A 61 0.846 -11.925 -9.698 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.686 -12.726 -8.218 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.590 -12.794 -6.853 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.237 -10.296 -8.469 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.587 -9.701 -8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.039 -10.284 -7.152 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.070 -15.043 -7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.347 -14.655 -7.926 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.461 -14.586 -9.312 1.00 0.00 H new ATOM 901 N ILE A 62 -2.006 -10.811 -9.959 1.00 0.00 N ATOM 902 CA ILE A 62 -2.837 -9.691 -10.479 1.00 0.00 C ATOM 903 C ILE A 62 -4.295 -9.982 -10.029 1.00 0.00 C ATOM 904 O ILE A 62 -5.063 -9.053 -9.749 1.00 0.00 O ATOM 905 CB ILE A 62 -2.648 -9.490 -12.029 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.355 -8.687 -12.380 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.883 -8.830 -12.701 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.297 -8.098 -13.800 1.00 0.00 C ATOM 0 H ILE A 62 -1.632 -11.412 -10.693 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.529 -8.729 -10.070 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.540 -10.496 -12.435 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.251 -7.871 -11.664 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.495 -9.342 -12.244 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.698 -8.715 -13.769 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.759 -9.460 -12.550 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.059 -7.851 -12.256 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.357 -7.562 -13.934 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.362 -8.904 -14.531 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.130 -7.410 -13.943 1.00 0.00 H new ATOM 920 N GLU A 63 -4.670 -11.275 -9.993 1.00 0.00 N ATOM 921 CA GLU A 63 -6.032 -11.717 -9.586 1.00 0.00 C ATOM 922 C GLU A 63 -6.414 -10.985 -8.270 1.00 0.00 C ATOM 923 O GLU A 63 -7.521 -10.445 -8.149 1.00 0.00 O ATOM 924 CB GLU A 63 -6.093 -13.268 -9.473 1.00 0.00 C ATOM 925 CG GLU A 63 -7.477 -13.922 -9.695 1.00 0.00 C ATOM 926 CD GLU A 63 -8.355 -13.200 -10.721 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.111 -13.349 -11.939 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.291 -12.476 -10.314 1.00 0.00 O ATOM 0 H GLU A 63 -4.047 -12.044 -10.242 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.769 -11.449 -10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.396 -13.691 -10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.736 -13.552 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.332 -14.953 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.006 -13.959 -8.743 1.00 0.00 H new ATOM 935 N GLU A 64 -5.496 -11.004 -7.287 1.00 0.00 N ATOM 936 CA GLU A 64 -5.706 -10.352 -5.968 1.00 0.00 C ATOM 937 C GLU A 64 -6.214 -8.904 -6.214 1.00 0.00 C ATOM 938 O GLU A 64 -7.352 -8.567 -5.869 1.00 0.00 O ATOM 939 CB GLU A 64 -4.404 -10.420 -5.119 1.00 0.00 C ATOM 940 CG GLU A 64 -4.582 -10.639 -3.598 1.00 0.00 C ATOM 941 CD GLU A 64 -3.761 -9.683 -2.726 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.551 -8.520 -3.135 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.324 -10.090 -1.627 1.00 0.00 O ATOM 0 H GLU A 64 -4.591 -11.467 -7.377 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.464 -10.875 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.784 -11.227 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.851 -9.493 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.637 -10.527 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.304 -11.664 -3.355 1.00 0.00 H new ATOM 950 N VAL A 65 -5.361 -8.072 -6.840 1.00 0.00 N ATOM 951 CA VAL A 65 -5.723 -6.689 -7.252 1.00 0.00 C ATOM 952 C VAL A 65 -6.564 -6.797 -8.554 1.00 0.00 C ATOM 953 O VAL A 65 -7.248 -7.805 -8.779 1.00 0.00 O ATOM 954 CB VAL A 65 -4.459 -5.768 -7.386 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.767 -5.895 -8.765 1.00 0.00 C ATOM 956 CG2 VAL A 65 -4.734 -4.266 -7.123 1.00 0.00 C ATOM 0 H VAL A 65 -4.403 -8.331 -7.077 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.324 -6.200 -6.486 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.798 -6.139 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.900 -5.235 -8.799 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.445 -6.925 -8.917 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.468 -5.614 -9.551 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.809 -3.701 -7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.472 -3.901 -7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.116 -4.138 -6.110 1.00 0.00 H new ATOM 966 N ASP A 66 -6.505 -5.754 -9.402 1.00 0.00 N ATOM 967 CA ASP A 66 -7.252 -5.712 -10.688 1.00 0.00 C ATOM 968 C ASP A 66 -8.754 -5.986 -10.401 1.00 0.00 C ATOM 969 O ASP A 66 -9.271 -7.072 -10.687 1.00 0.00 O ATOM 970 CB ASP A 66 -6.652 -6.697 -11.733 1.00 0.00 C ATOM 971 CG ASP A 66 -6.075 -6.059 -13.009 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.810 -5.323 -13.703 1.00 0.00 O ATOM 973 OD2 ASP A 66 -4.883 -6.287 -13.312 1.00 0.00 O ATOM 0 H ASP A 66 -5.945 -4.920 -9.224 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.158 -4.722 -11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.862 -7.272 -11.249 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.429 -7.404 -12.024 1.00 0.00 H new ATOM 978 N GLU A 67 -9.442 -4.972 -9.843 1.00 0.00 N ATOM 979 CA GLU A 67 -10.887 -5.040 -9.503 1.00 0.00 C ATOM 980 C GLU A 67 -11.738 -4.699 -10.757 1.00 0.00 C ATOM 981 O GLU A 67 -12.935 -5.032 -10.795 1.00 0.00 O ATOM 982 CB GLU A 67 -11.191 -4.116 -8.285 1.00 0.00 C ATOM 983 CG GLU A 67 -12.079 -4.719 -7.170 1.00 0.00 C ATOM 984 CD GLU A 67 -13.552 -4.880 -7.559 1.00 0.00 C ATOM 985 OE1 GLU A 67 -14.238 -3.855 -7.771 1.00 0.00 O ATOM 986 OE2 GLU A 67 -14.029 -6.032 -7.659 1.00 0.00 O ATOM 0 H GLU A 67 -9.014 -4.075 -9.612 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.158 -6.052 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.243 -3.813 -7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.673 -3.211 -8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.680 -5.694 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.015 -4.083 -6.287 1.00 0.00 H new ATOM 993 N ASP A 68 -11.131 -4.075 -11.784 1.00 0.00 N ATOM 994 CA ASP A 68 -11.851 -3.642 -13.015 1.00 0.00 C ATOM 995 C ASP A 68 -12.063 -4.865 -13.947 1.00 0.00 C ATOM 996 O ASP A 68 -13.176 -5.090 -14.446 1.00 0.00 O ATOM 997 CB ASP A 68 -11.120 -2.468 -13.733 1.00 0.00 C ATOM 998 CG ASP A 68 -10.147 -2.861 -14.857 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.046 -3.372 -14.555 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -10.480 -2.654 -16.045 1.00 0.00 O ATOM 0 H ASP A 68 -10.135 -3.854 -11.793 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.829 -3.252 -12.733 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.873 -1.799 -14.150 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.568 -1.899 -12.985 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.005 -5.676 -14.155 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.088 -6.900 -14.989 1.00 0.00 C ATOM 1007 C GLY A 69 -10.002 -6.911 -16.095 1.00 0.00 C ATOM 1008 O GLY A 69 -9.449 -7.966 -16.426 1.00 0.00 O ATOM 0 H GLY A 69 -10.081 -5.508 -13.758 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.973 -7.780 -14.357 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.075 -6.963 -15.447 1.00 0.00 H new ATOM 1012 N SER A 70 -9.712 -5.725 -16.661 1.00 0.00 N ATOM 1013 CA SER A 70 -8.787 -5.543 -17.812 1.00 0.00 C ATOM 1014 C SER A 70 -7.560 -6.485 -17.689 1.00 0.00 C ATOM 1015 O SER A 70 -7.088 -7.044 -18.689 1.00 0.00 O ATOM 1016 CB SER A 70 -8.371 -4.053 -17.897 1.00 0.00 C ATOM 1017 OG SER A 70 -7.482 -3.701 -16.842 1.00 0.00 O ATOM 0 H SER A 70 -10.116 -4.848 -16.332 1.00 0.00 H new ATOM 0 HA SER A 70 -9.295 -5.813 -18.738 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.892 -3.862 -18.857 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.259 -3.423 -17.852 1.00 0.00 H new ATOM 0 HG SER A 70 -7.993 -3.558 -16.018 1.00 0.00 H new ATOM 1023 N GLY A 71 -7.072 -6.690 -16.449 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.942 -7.613 -16.177 1.00 0.00 C ATOM 1025 C GLY A 71 -4.590 -6.855 -16.172 1.00 0.00 C ATOM 1026 O GLY A 71 -3.642 -7.266 -15.489 1.00 0.00 O ATOM 0 H GLY A 71 -7.441 -6.230 -15.617 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.092 -8.102 -15.214 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.920 -8.398 -16.933 1.00 0.00 H new ATOM 1030 N THR A 72 -4.517 -5.756 -16.946 1.00 0.00 N ATOM 1031 CA THR A 72 -3.318 -4.880 -17.012 1.00 0.00 C ATOM 1032 C THR A 72 -3.447 -3.776 -15.927 1.00 0.00 C ATOM 1033 O THR A 72 -4.492 -3.650 -15.276 1.00 0.00 O ATOM 1034 CB THR A 72 -3.093 -4.297 -18.443 1.00 0.00 C ATOM 1035 OG1 THR A 72 -4.325 -3.846 -19.002 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.440 -5.263 -19.449 1.00 0.00 C ATOM 0 H THR A 72 -5.282 -5.445 -17.544 1.00 0.00 H new ATOM 0 HA THR A 72 -2.426 -5.472 -16.805 1.00 0.00 H new ATOM 0 HB THR A 72 -2.393 -3.476 -18.289 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.164 -3.483 -19.898 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.327 -4.764 -20.412 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.460 -5.565 -19.080 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.070 -6.144 -19.569 1.00 0.00 H new ATOM 1044 N ILE A 73 -2.381 -2.971 -15.755 1.00 0.00 N ATOM 1045 CA ILE A 73 -2.341 -1.866 -14.759 1.00 0.00 C ATOM 1046 C ILE A 73 -1.660 -0.665 -15.473 1.00 0.00 C ATOM 1047 O ILE A 73 -0.427 -0.577 -15.518 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.657 -2.312 -13.413 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.450 -3.439 -12.677 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -1.409 -1.121 -12.447 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -2.118 -4.879 -13.104 1.00 0.00 C ATOM 0 H ILE A 73 -1.522 -3.062 -16.298 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.338 -1.567 -14.436 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.689 -2.718 -13.707 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.267 -3.346 -11.606 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.515 -3.270 -12.834 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.936 -1.485 -11.535 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.757 -0.392 -12.928 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.360 -0.650 -12.199 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.726 -5.578 -12.530 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.330 -5.002 -14.166 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.063 -5.079 -12.919 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.477 0.235 -16.051 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.979 1.437 -16.772 1.00 0.00 C ATOM 1065 C ASP A 74 -1.475 2.478 -15.735 1.00 0.00 C ATOM 1066 O ASP A 74 -1.323 2.175 -14.544 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.061 2.020 -17.727 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.412 1.283 -17.753 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.542 0.283 -18.492 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.346 1.709 -17.037 1.00 0.00 O ATOM 0 H ASP A 74 -3.494 0.157 -16.036 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.142 1.156 -17.411 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.242 3.058 -17.447 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.656 2.029 -18.739 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.200 3.708 -16.210 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.716 4.821 -15.349 1.00 0.00 C ATOM 1077 C PHE A 75 -1.896 5.315 -14.469 1.00 0.00 C ATOM 1078 O PHE A 75 -1.743 5.520 -13.259 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.115 5.964 -16.220 1.00 0.00 C ATOM 1080 CG PHE A 75 0.504 7.141 -15.440 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.248 7.305 -14.073 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.319 8.071 -16.099 1.00 0.00 C ATOM 1083 CE1 PHE A 75 0.748 8.412 -13.392 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.817 9.178 -15.415 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.510 9.360 -14.069 1.00 0.00 C ATOM 0 H PHE A 75 -1.304 3.964 -17.192 1.00 0.00 H new ATOM 0 HA PHE A 75 0.084 4.473 -14.696 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.651 5.538 -16.868 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.900 6.354 -16.868 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.340 6.569 -13.544 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.562 7.929 -17.142 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.545 8.535 -12.338 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.441 9.895 -15.929 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.864 10.238 -13.549 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.074 5.489 -15.097 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.279 6.047 -14.428 1.00 0.00 C ATOM 1097 C GLU A 76 -4.658 5.146 -13.220 1.00 0.00 C ATOM 1098 O GLU A 76 -4.891 5.642 -12.112 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.453 6.221 -15.435 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.591 7.584 -16.158 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.489 7.548 -17.399 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.399 6.578 -18.183 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -7.291 8.489 -17.593 1.00 0.00 O ATOM 0 H GLU A 76 -3.224 5.250 -16.077 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.057 7.045 -14.050 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.358 5.447 -16.196 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.383 6.030 -14.900 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.990 8.316 -15.456 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.599 7.930 -16.451 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.684 3.821 -13.452 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.076 2.815 -12.429 1.00 0.00 C ATOM 1112 C GLU A 77 -3.943 2.666 -11.377 1.00 0.00 C ATOM 1113 O GLU A 77 -4.205 2.327 -10.216 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.436 1.446 -13.078 1.00 0.00 C ATOM 1115 CG GLU A 77 -5.464 0.223 -12.132 1.00 0.00 C ATOM 1116 CD GLU A 77 -6.004 -1.043 -12.800 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.854 -0.932 -13.711 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.585 -2.157 -12.414 1.00 0.00 O ATOM 0 H GLU A 77 -4.435 3.410 -14.352 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.976 3.168 -11.924 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.416 1.537 -13.547 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.719 1.246 -13.874 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.455 0.031 -11.767 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.079 0.458 -11.263 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.689 2.912 -11.800 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.497 2.805 -10.917 1.00 0.00 C ATOM 1127 C PHE A 78 -1.661 3.788 -9.726 1.00 0.00 C ATOM 1128 O PHE A 78 -1.340 3.451 -8.580 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.191 3.069 -11.730 1.00 0.00 C ATOM 1130 CG PHE A 78 1.101 3.138 -10.890 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.356 2.186 -9.896 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.009 4.186 -11.082 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.497 2.286 -9.103 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.151 4.282 -10.291 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.395 3.332 -9.303 1.00 0.00 C ATOM 0 H PHE A 78 -2.467 3.189 -12.756 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.416 1.795 -10.515 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.080 2.281 -12.475 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.303 4.007 -12.273 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.665 1.370 -9.743 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.823 4.924 -11.848 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.685 1.552 -8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.847 5.093 -10.444 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.282 3.406 -8.691 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.158 5.003 -10.019 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.276 6.101 -9.024 1.00 0.00 C ATOM 1147 C LEU A 79 -3.413 5.754 -8.024 1.00 0.00 C ATOM 1148 O LEU A 79 -3.393 6.213 -6.874 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.534 7.466 -9.734 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.506 7.918 -10.812 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -2.147 8.892 -11.821 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.245 8.557 -10.194 1.00 0.00 C ATOM 0 H LEU A 79 -2.491 5.258 -10.949 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.340 6.201 -8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.517 7.421 -10.203 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.582 8.240 -8.968 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.196 7.014 -11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.404 9.190 -12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.981 8.401 -12.321 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.509 9.775 -11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.439 8.854 -10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.529 9.434 -9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.247 7.834 -9.543 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.409 4.971 -8.477 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.574 4.563 -7.645 1.00 0.00 C ATOM 1166 C VAL A 80 -5.076 3.545 -6.583 1.00 0.00 C ATOM 1167 O VAL A 80 -5.482 3.607 -5.415 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.759 4.024 -8.526 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -8.029 3.713 -7.698 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.162 4.963 -9.691 1.00 0.00 C ATOM 0 H VAL A 80 -4.436 4.600 -9.427 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.990 5.426 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.357 3.103 -8.949 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.813 3.345 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.799 2.954 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.371 4.621 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.986 4.518 -10.249 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.475 5.927 -9.290 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.309 5.106 -10.355 1.00 0.00 H new ATOM 1180 N MET A 81 -4.206 2.609 -7.005 1.00 0.00 N ATOM 1181 CA MET A 81 -3.647 1.551 -6.121 1.00 0.00 C ATOM 1182 C MET A 81 -2.886 2.238 -4.955 1.00 0.00 C ATOM 1183 O MET A 81 -3.074 1.884 -3.784 1.00 0.00 O ATOM 1184 CB MET A 81 -2.739 0.570 -6.917 1.00 0.00 C ATOM 1185 CG MET A 81 -2.288 -0.692 -6.158 1.00 0.00 C ATOM 1186 SD MET A 81 -0.830 -1.406 -6.952 1.00 0.00 S ATOM 1187 CE MET A 81 -0.190 -2.460 -5.634 1.00 0.00 C ATOM 0 H MET A 81 -3.867 2.559 -7.966 1.00 0.00 H new ATOM 0 HA MET A 81 -4.455 0.946 -5.710 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.272 0.259 -7.816 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.851 1.111 -7.244 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.061 -0.441 -5.122 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.096 -1.423 -6.139 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.712 -2.967 -5.979 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.047 -1.849 -4.763 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.942 -3.201 -5.364 1.00 0.00 H new ATOM 1197 N MET A 82 -2.003 3.195 -5.296 1.00 0.00 N ATOM 1198 CA MET A 82 -1.113 3.867 -4.312 1.00 0.00 C ATOM 1199 C MET A 82 -1.938 4.833 -3.418 1.00 0.00 C ATOM 1200 O MET A 82 -1.568 5.089 -2.265 1.00 0.00 O ATOM 1201 CB MET A 82 0.035 4.599 -5.063 1.00 0.00 C ATOM 1202 CG MET A 82 1.237 3.721 -5.463 1.00 0.00 C ATOM 1203 SD MET A 82 2.414 3.568 -4.098 1.00 0.00 S ATOM 1204 CE MET A 82 3.461 2.214 -4.670 1.00 0.00 C ATOM 0 H MET A 82 -1.881 3.527 -6.253 1.00 0.00 H new ATOM 0 HA MET A 82 -0.660 3.126 -3.654 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.376 5.052 -5.965 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.396 5.412 -4.433 1.00 0.00 H new ATOM 0 HG2 MET A 82 0.887 2.732 -5.758 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.735 4.154 -6.330 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.232 2.011 -3.927 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.853 1.321 -4.816 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.931 2.491 -5.614 1.00 0.00 H new ATOM 1214 N VAL A 83 -3.034 5.384 -3.970 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.864 6.417 -3.293 1.00 0.00 C ATOM 1216 C VAL A 83 -4.512 5.756 -2.046 1.00 0.00 C ATOM 1217 O VAL A 83 -4.328 6.220 -0.912 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.903 7.070 -4.274 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.300 7.314 -3.650 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.404 8.407 -4.872 1.00 0.00 C ATOM 0 H VAL A 83 -3.376 5.131 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.246 7.253 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.004 6.324 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.956 7.767 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.723 6.364 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.205 7.983 -2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.163 8.812 -5.542 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.214 9.117 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.483 8.235 -5.429 1.00 0.00 H new ATOM 1230 N ARG A 84 -5.296 4.686 -2.275 1.00 0.00 N ATOM 1231 CA ARG A 84 -6.083 4.001 -1.214 1.00 0.00 C ATOM 1232 C ARG A 84 -5.123 3.679 -0.036 1.00 0.00 C ATOM 1233 O ARG A 84 -5.423 3.986 1.124 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.750 2.712 -1.773 1.00 0.00 C ATOM 1235 CG ARG A 84 -8.236 2.867 -2.175 1.00 0.00 C ATOM 1236 CD ARG A 84 -8.634 1.954 -3.350 1.00 0.00 C ATOM 1237 NE ARG A 84 -8.894 0.563 -2.903 1.00 0.00 N ATOM 1238 CZ ARG A 84 -9.994 -0.152 -3.218 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -11.169 0.439 -3.389 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -9.946 -1.474 -3.308 1.00 0.00 N ATOM 0 H ARG A 84 -5.407 4.267 -3.198 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.888 4.646 -0.862 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.186 2.378 -2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.672 1.926 -1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.866 2.640 -1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.428 3.905 -2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.525 2.353 -3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.839 1.954 -4.096 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.191 0.115 -2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.252 1.450 -3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.990 -0.118 -3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.068 -1.965 -3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.787 -2.000 -3.547 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.985 3.033 -0.350 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.011 2.560 0.669 1.00 0.00 C ATOM 1256 C GLN A 85 -2.497 3.792 1.464 1.00 0.00 C ATOM 1257 O GLN A 85 -2.216 3.697 2.664 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.860 1.768 -0.013 1.00 0.00 C ATOM 1259 CG GLN A 85 -0.589 2.579 -0.367 1.00 0.00 C ATOM 1260 CD GLN A 85 0.575 2.404 0.623 1.00 0.00 C ATOM 1261 OE1 GLN A 85 0.514 1.590 1.544 1.00 0.00 O ATOM 1262 NE2 GLN A 85 1.652 3.159 0.463 1.00 0.00 N ATOM 0 H GLN A 85 -3.710 2.822 -1.309 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.486 1.873 1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.571 0.948 0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -2.247 1.321 -0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.251 2.286 -1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.850 3.636 -0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.694 3.831 -0.303 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.439 3.068 1.106 1.00 0.00 H new ATOM 1271 N MET A 86 -2.354 4.933 0.765 1.00 0.00 N ATOM 1272 CA MET A 86 -1.786 6.180 1.343 1.00 0.00 C ATOM 1273 C MET A 86 -2.698 6.620 2.521 1.00 0.00 C ATOM 1274 O MET A 86 -2.209 7.101 3.550 1.00 0.00 O ATOM 1275 CB MET A 86 -1.640 7.290 0.264 1.00 0.00 C ATOM 1276 CG MET A 86 -0.198 7.698 -0.088 1.00 0.00 C ATOM 1277 SD MET A 86 -0.084 9.493 -0.256 1.00 0.00 S ATOM 1278 CE MET A 86 -0.890 9.749 -1.852 1.00 0.00 C ATOM 0 H MET A 86 -2.626 5.024 -0.214 1.00 0.00 H new ATOM 0 HA MET A 86 -0.778 5.997 1.716 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.134 6.952 -0.647 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.175 8.176 0.607 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.485 7.354 0.688 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.107 7.218 -1.018 1.00 0.00 H new ATOM 0 HE1 MET A 86 -0.832 10.803 -2.124 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.389 9.150 -2.613 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.936 9.449 -1.784 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.021 6.448 2.349 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.040 6.916 3.326 1.00 0.00 C ATOM 1290 C LYS A 87 -4.816 6.166 4.668 1.00 0.00 C ATOM 1291 O LYS A 87 -4.914 6.762 5.748 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.489 6.670 2.820 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.029 7.715 1.816 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.356 8.389 2.224 1.00 0.00 C ATOM 1295 CE LYS A 87 -8.455 9.888 1.876 1.00 0.00 C ATOM 1296 NZ LYS A 87 -9.065 10.657 2.975 1.00 0.00 N ATOM 0 H LYS A 87 -4.420 5.983 1.534 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.924 7.992 3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.530 5.687 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.156 6.641 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.274 8.489 1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.168 7.230 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.178 7.863 1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.492 8.270 3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.460 10.280 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.047 10.014 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.117 11.661 2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.023 10.298 3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.486 10.556 3.833 1.00 0.00 H new ATOM 1310 N GLU A 88 -4.518 4.856 4.581 1.00 0.00 N ATOM 1311 CA GLU A 88 -4.277 3.997 5.770 1.00 0.00 C ATOM 1312 C GLU A 88 -3.258 4.716 6.696 1.00 0.00 C ATOM 1313 O GLU A 88 -3.479 4.834 7.907 1.00 0.00 O ATOM 1314 CB GLU A 88 -3.823 2.576 5.329 1.00 0.00 C ATOM 1315 CG GLU A 88 -2.776 1.875 6.227 1.00 0.00 C ATOM 1316 CD GLU A 88 -2.144 0.629 5.598 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -1.385 0.765 4.613 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -2.407 -0.494 6.085 1.00 0.00 O ATOM 0 H GLU A 88 -4.436 4.360 3.694 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.195 3.848 6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.705 1.938 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.415 2.646 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.987 2.587 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.250 1.593 7.167 1.00 0.00 H new ATOM 1325 N ASP A 89 -2.133 5.164 6.110 1.00 0.00 N ATOM 1326 CA ASP A 89 -1.049 5.860 6.854 1.00 0.00 C ATOM 1327 C ASP A 89 -1.655 7.093 7.577 1.00 0.00 C ATOM 1328 O ASP A 89 -2.027 8.083 6.937 1.00 0.00 O ATOM 1329 CB ASP A 89 0.139 6.236 5.921 1.00 0.00 C ATOM 1330 CG ASP A 89 1.040 5.073 5.471 1.00 0.00 C ATOM 1331 OD1 ASP A 89 0.929 3.967 6.044 1.00 0.00 O ATOM 1332 OD2 ASP A 89 1.860 5.265 4.546 1.00 0.00 O ATOM 0 H ASP A 89 -1.943 5.058 5.113 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.628 5.189 7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.263 6.722 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.759 6.972 6.434 1.00 0.00 H new ATOM 1337 N ALA A 90 -1.735 7.016 8.919 1.00 0.00 N ATOM 1338 CA ALA A 90 -2.299 8.102 9.763 1.00 0.00 C ATOM 1339 C ALA A 90 -1.212 8.583 10.743 1.00 0.00 C ATOM 1340 O ALA A 90 -1.280 9.772 11.184 1.00 0.00 O ATOM 1341 CB ALA A 90 -3.570 7.623 10.495 1.00 0.00 C ATOM 1342 OXT ALA A 90 -0.280 7.795 11.092 1.00 0.00 O ATOM 0 H ALA A 90 -1.414 6.207 9.452 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.600 8.942 9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.965 8.434 11.107 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.320 7.322 9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.324 6.774 11.133 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.256 -2.599 -21.115 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.637 -3.063 -14.309 1.00 0.00 CA