USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 431 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 6 GLN : amide:sc= -0.664 K(o=-0.66,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.022) USER MOD Single : A 8 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.32) USER MOD Single : A 13 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.18) USER MOD Single : A 26 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.65) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 31:sc= 0.354 USER MOD Single : A 37 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.29) USER MOD Single : A 45 SER OG : rot 29:sc= 0.958 USER MOD Single : A 48 SER OG : rot -40:sc= 0.897 USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00364 USER MOD Single : A 65 GLN : amide:sc= -0.0617 X(o=-0.062,f=-0.26) USER MOD Single : A 66 MET CE :methyl -159:sc= -0.137 (180deg=-1.01) USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= -0.0979 (180deg=-0.735) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 83:sc= 0.098 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.734 -10.655 12.824 1.00 0.00 N ATOM 2 CA GLN A 6 1.774 -9.571 12.992 1.00 0.00 C ATOM 3 C GLN A 6 2.477 -8.301 13.462 1.00 0.00 C ATOM 4 O GLN A 6 1.986 -7.192 13.247 1.00 0.00 O ATOM 5 CB GLN A 6 0.705 -9.973 14.010 1.00 0.00 C ATOM 6 CG GLN A 6 1.366 -10.255 15.361 1.00 0.00 C ATOM 7 CD GLN A 6 0.396 -11.003 16.269 1.00 0.00 C ATOM 8 OE1 GLN A 6 0.817 -11.671 17.213 1.00 0.00 O ATOM 9 NE2 GLN A 6 -0.887 -10.931 16.039 1.00 0.00 N ATOM 0 HA GLN A 6 1.302 -9.376 12.029 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.032 -9.176 14.113 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.171 -10.858 13.663 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.271 -10.845 15.216 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.668 -9.319 15.830 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.235 -10.377 15.256 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.542 -11.429 16.642 1.00 0.00 H new ATOM 18 N GLN A 7 3.627 -8.472 14.104 1.00 0.00 N ATOM 19 CA GLN A 7 4.389 -7.333 14.600 1.00 0.00 C ATOM 20 C GLN A 7 4.579 -6.296 13.498 1.00 0.00 C ATOM 21 O GLN A 7 4.149 -5.151 13.629 1.00 0.00 O ATOM 22 CB GLN A 7 5.756 -7.799 15.107 1.00 0.00 C ATOM 23 CG GLN A 7 5.568 -8.805 16.247 1.00 0.00 C ATOM 24 CD GLN A 7 6.829 -8.864 17.103 1.00 0.00 C ATOM 25 OE1 GLN A 7 7.382 -9.942 17.322 1.00 0.00 O ATOM 26 NE2 GLN A 7 7.319 -7.762 17.603 1.00 0.00 N ATOM 0 H GLN A 7 4.049 -9.381 14.292 1.00 0.00 H new ATOM 0 HA GLN A 7 3.834 -6.878 15.420 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.319 -8.257 14.294 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.336 -6.944 15.455 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.715 -8.516 16.861 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.348 -9.792 15.840 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.859 -6.870 17.420 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.162 -7.793 18.177 1.00 0.00 H new ATOM 35 N GLN A 8 5.225 -6.705 12.412 1.00 0.00 N ATOM 36 CA GLN A 8 5.463 -5.800 11.293 1.00 0.00 C ATOM 37 C GLN A 8 4.176 -5.081 10.899 1.00 0.00 C ATOM 38 O GLN A 8 4.204 -3.922 10.488 1.00 0.00 O ATOM 39 CB GLN A 8 6.002 -6.584 10.093 1.00 0.00 C ATOM 40 CG GLN A 8 7.467 -6.954 10.337 1.00 0.00 C ATOM 41 CD GLN A 8 8.355 -5.730 10.133 1.00 0.00 C ATOM 42 OE1 GLN A 8 8.883 -5.522 9.040 1.00 0.00 O ATOM 43 NE2 GLN A 8 8.552 -4.905 11.124 1.00 0.00 N ATOM 0 H GLN A 8 5.591 -7.648 12.282 1.00 0.00 H new ATOM 0 HA GLN A 8 6.198 -5.057 11.602 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.409 -7.486 9.939 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.914 -5.986 9.186 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.590 -7.338 11.350 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.768 -7.750 9.656 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.113 -5.080 12.028 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.145 -4.085 10.995 1.00 0.00 H new ATOM 52 N ALA A 9 3.051 -5.777 11.026 1.00 0.00 N ATOM 53 CA ALA A 9 1.761 -5.195 10.677 1.00 0.00 C ATOM 54 C ALA A 9 1.409 -4.051 11.624 1.00 0.00 C ATOM 55 O ALA A 9 1.347 -2.892 11.214 1.00 0.00 O ATOM 56 CB ALA A 9 0.669 -6.266 10.738 1.00 0.00 C ATOM 0 H ALA A 9 3.006 -6.738 11.365 1.00 0.00 H new ATOM 0 HA ALA A 9 1.827 -4.801 9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.291 -5.822 10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.903 -7.065 10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.616 -6.675 11.747 1.00 0.00 H new ATOM 62 N VAL A 10 1.178 -4.383 12.890 1.00 0.00 N ATOM 63 CA VAL A 10 0.829 -3.371 13.882 1.00 0.00 C ATOM 64 C VAL A 10 1.936 -2.327 13.998 1.00 0.00 C ATOM 65 O VAL A 10 1.666 -1.127 14.045 1.00 0.00 O ATOM 66 CB VAL A 10 0.594 -4.029 15.244 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.828 -4.837 15.644 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.334 -2.945 16.293 1.00 0.00 C ATOM 0 H VAL A 10 1.225 -5.336 13.252 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.086 -2.875 13.559 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.268 -4.693 15.182 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.658 -5.304 16.614 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.015 -5.609 14.897 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.692 -4.175 15.707 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.166 -3.411 17.264 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.197 -2.282 16.353 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.547 -2.369 16.010 1.00 0.00 H new ATOM 78 N LEU A 11 3.182 -2.789 14.042 1.00 0.00 N ATOM 79 CA LEU A 11 4.316 -1.878 14.151 1.00 0.00 C ATOM 80 C LEU A 11 4.278 -0.844 13.030 1.00 0.00 C ATOM 81 O LEU A 11 4.213 0.359 13.285 1.00 0.00 O ATOM 82 CB LEU A 11 5.633 -2.660 14.076 1.00 0.00 C ATOM 83 CG LEU A 11 5.841 -3.469 15.363 1.00 0.00 C ATOM 84 CD1 LEU A 11 7.096 -4.333 15.216 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.013 -2.520 16.560 1.00 0.00 C ATOM 0 H LEU A 11 3.430 -3.778 14.004 1.00 0.00 H new ATOM 0 HA LEU A 11 4.253 -1.367 15.112 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.619 -3.329 13.215 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.466 -1.972 13.932 1.00 0.00 H new ATOM 0 HG LEU A 11 4.971 -4.103 15.534 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.249 -4.910 16.128 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.973 -5.012 14.373 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.961 -3.692 15.043 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.160 -3.104 17.469 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.880 -1.880 16.395 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.121 -1.902 16.666 1.00 0.00 H new ATOM 97 N GLU A 12 4.320 -1.319 11.790 1.00 0.00 N ATOM 98 CA GLU A 12 4.290 -0.422 10.640 1.00 0.00 C ATOM 99 C GLU A 12 3.062 0.482 10.699 1.00 0.00 C ATOM 100 O GLU A 12 3.159 1.691 10.489 1.00 0.00 O ATOM 101 CB GLU A 12 4.265 -1.233 9.343 1.00 0.00 C ATOM 102 CG GLU A 12 5.615 -1.929 9.150 1.00 0.00 C ATOM 103 CD GLU A 12 6.661 -0.919 8.692 1.00 0.00 C ATOM 104 OE1 GLU A 12 6.384 -0.192 7.754 1.00 0.00 O ATOM 105 OE2 GLU A 12 7.726 -0.889 9.287 1.00 0.00 O ATOM 0 H GLU A 12 4.374 -2.310 11.556 1.00 0.00 H new ATOM 0 HA GLU A 12 5.187 0.197 10.663 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.465 -1.972 9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.057 -0.579 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.931 -2.394 10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.520 -2.727 8.413 1.00 0.00 H new ATOM 112 N GLN A 13 1.909 -0.113 10.987 1.00 0.00 N ATOM 113 CA GLN A 13 0.668 0.648 11.073 1.00 0.00 C ATOM 114 C GLN A 13 0.801 1.773 12.095 1.00 0.00 C ATOM 115 O GLN A 13 0.378 2.903 11.846 1.00 0.00 O ATOM 116 CB GLN A 13 -0.484 -0.277 11.474 1.00 0.00 C ATOM 117 CG GLN A 13 -1.814 0.464 11.322 1.00 0.00 C ATOM 118 CD GLN A 13 -2.113 0.703 9.846 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.564 -0.204 9.147 1.00 0.00 O ATOM 120 NE2 GLN A 13 -1.887 1.879 9.327 1.00 0.00 N ATOM 0 H GLN A 13 1.808 -1.113 11.164 1.00 0.00 H new ATOM 0 HA GLN A 13 0.460 1.083 10.096 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.481 -1.170 10.850 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.356 -0.608 12.505 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.617 -0.117 11.775 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.772 1.416 11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.513 2.630 9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.084 2.048 8.341 1.00 0.00 H new ATOM 129 N GLU A 14 1.392 1.457 13.242 1.00 0.00 N ATOM 130 CA GLU A 14 1.574 2.451 14.294 1.00 0.00 C ATOM 131 C GLU A 14 2.524 3.551 13.830 1.00 0.00 C ATOM 132 O GLU A 14 2.197 4.736 13.897 1.00 0.00 O ATOM 133 CB GLU A 14 2.137 1.785 15.551 1.00 0.00 C ATOM 134 CG GLU A 14 1.044 0.948 16.219 1.00 0.00 C ATOM 135 CD GLU A 14 0.047 1.861 16.927 1.00 0.00 C ATOM 136 OE1 GLU A 14 -0.872 2.323 16.271 1.00 0.00 O ATOM 137 OE2 GLU A 14 0.219 2.085 18.114 1.00 0.00 O ATOM 0 H GLU A 14 1.751 0.529 13.466 1.00 0.00 H new ATOM 0 HA GLU A 14 0.605 2.894 14.522 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.986 1.153 15.291 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.504 2.543 16.243 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.529 0.344 15.472 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.490 0.258 16.935 1.00 0.00 H new ATOM 144 N ARG A 15 3.701 3.152 13.360 1.00 0.00 N ATOM 145 CA ARG A 15 4.690 4.114 12.887 1.00 0.00 C ATOM 146 C ARG A 15 4.059 5.081 11.891 1.00 0.00 C ATOM 147 O ARG A 15 4.188 6.298 12.024 1.00 0.00 O ATOM 148 CB ARG A 15 5.857 3.379 12.221 1.00 0.00 C ATOM 149 CG ARG A 15 6.713 2.684 13.288 1.00 0.00 C ATOM 150 CD ARG A 15 7.798 3.641 13.788 1.00 0.00 C ATOM 151 NE ARG A 15 8.833 3.804 12.772 1.00 0.00 N ATOM 152 CZ ARG A 15 9.690 2.826 12.501 1.00 0.00 C ATOM 153 NH1 ARG A 15 9.618 1.696 13.150 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.604 2.996 11.585 1.00 0.00 N ATOM 0 H ARG A 15 3.992 2.177 13.296 1.00 0.00 H new ATOM 0 HA ARG A 15 5.059 4.680 13.742 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.478 2.644 11.511 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.467 4.084 11.655 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.085 2.365 14.120 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.171 1.786 12.872 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.357 4.609 14.027 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.238 3.255 14.707 1.00 0.00 H new ATOM 0 HE ARG A 15 8.899 4.684 12.261 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.903 1.564 13.866 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.276 0.945 12.942 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.660 3.879 11.078 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.263 2.246 11.376 1.00 0.00 H new ATOM 168 N ARG A 16 3.376 4.531 10.892 1.00 0.00 N ATOM 169 CA ARG A 16 2.727 5.355 9.878 1.00 0.00 C ATOM 170 C ARG A 16 1.668 6.249 10.512 1.00 0.00 C ATOM 171 O ARG A 16 1.756 7.475 10.447 1.00 0.00 O ATOM 172 CB ARG A 16 2.079 4.461 8.819 1.00 0.00 C ATOM 173 CG ARG A 16 1.755 5.293 7.576 1.00 0.00 C ATOM 174 CD ARG A 16 1.137 4.390 6.507 1.00 0.00 C ATOM 175 NE ARG A 16 2.054 3.309 6.169 1.00 0.00 N ATOM 176 CZ ARG A 16 3.154 3.537 5.459 1.00 0.00 C ATOM 177 NH1 ARG A 16 3.428 4.746 5.051 1.00 0.00 N ATOM 178 NH2 ARG A 16 3.960 2.553 5.168 1.00 0.00 N ATOM 0 H ARG A 16 3.258 3.526 10.763 1.00 0.00 H new ATOM 0 HA ARG A 16 3.482 5.986 9.409 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.751 3.644 8.557 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.169 4.011 9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.065 6.096 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.661 5.762 7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.195 3.978 6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.908 4.974 5.616 1.00 0.00 H new ATOM 0 HE ARG A 16 1.848 2.361 6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.798 5.516 5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.272 4.921 4.506 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.746 1.608 5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.804 2.729 4.623 1.00 0.00 H new ATOM 192 N ASP A 17 0.667 5.627 11.127 1.00 0.00 N ATOM 193 CA ASP A 17 -0.406 6.377 11.772 1.00 0.00 C ATOM 194 C ASP A 17 0.165 7.543 12.574 1.00 0.00 C ATOM 195 O ASP A 17 -0.339 8.664 12.502 1.00 0.00 O ATOM 196 CB ASP A 17 -1.202 5.458 12.700 1.00 0.00 C ATOM 197 CG ASP A 17 -2.394 6.210 13.281 1.00 0.00 C ATOM 198 OD1 ASP A 17 -3.379 6.355 12.576 1.00 0.00 O ATOM 199 OD2 ASP A 17 -2.305 6.631 14.423 1.00 0.00 O ATOM 0 H ASP A 17 0.576 4.613 11.193 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.066 6.770 10.999 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.547 4.582 12.150 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.562 5.097 13.505 1.00 0.00 H new ATOM 204 N ARG A 18 1.218 7.269 13.336 1.00 0.00 N ATOM 205 CA ARG A 18 1.852 8.304 14.145 1.00 0.00 C ATOM 206 C ARG A 18 2.411 9.409 13.256 1.00 0.00 C ATOM 207 O ARG A 18 2.113 10.587 13.453 1.00 0.00 O ATOM 208 CB ARG A 18 2.982 7.695 14.979 1.00 0.00 C ATOM 209 CG ARG A 18 2.387 6.868 16.120 1.00 0.00 C ATOM 210 CD ARG A 18 3.496 6.073 16.810 1.00 0.00 C ATOM 211 NE ARG A 18 4.397 6.974 17.522 1.00 0.00 N ATOM 212 CZ ARG A 18 5.464 7.499 16.925 1.00 0.00 C ATOM 213 NH1 ARG A 18 5.723 7.212 15.678 1.00 0.00 N ATOM 214 NH2 ARG A 18 6.251 8.303 17.587 1.00 0.00 N ATOM 0 H ARG A 18 1.648 6.347 13.411 1.00 0.00 H new ATOM 0 HA ARG A 18 1.101 8.732 14.809 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.613 7.066 14.351 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.617 8.484 15.381 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.894 7.523 16.839 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.626 6.190 15.733 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.060 5.358 17.507 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.054 5.498 16.071 1.00 0.00 H new ATOM 0 HE ARG A 18 4.205 7.206 18.497 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.107 6.585 15.160 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.541 7.615 15.221 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.048 8.528 18.561 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.069 8.706 17.130 1.00 0.00 H new ATOM 228 N GLU A 19 3.221 9.021 12.277 1.00 0.00 N ATOM 229 CA GLU A 19 3.816 9.988 11.362 1.00 0.00 C ATOM 230 C GLU A 19 2.748 10.929 10.810 1.00 0.00 C ATOM 231 O GLU A 19 2.781 12.134 11.057 1.00 0.00 O ATOM 232 CB GLU A 19 4.506 9.260 10.207 1.00 0.00 C ATOM 233 CG GLU A 19 5.806 8.625 10.706 1.00 0.00 C ATOM 234 CD GLU A 19 6.872 9.699 10.898 1.00 0.00 C ATOM 235 OE1 GLU A 19 7.339 10.226 9.902 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.205 9.978 12.038 1.00 0.00 O ATOM 0 H GLU A 19 3.479 8.051 12.097 1.00 0.00 H new ATOM 0 HA GLU A 19 4.553 10.575 11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.847 8.493 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.718 9.959 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.628 8.105 11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.154 7.880 9.991 1.00 0.00 H new ATOM 243 N LEU A 20 1.802 10.368 10.063 1.00 0.00 N ATOM 244 CA LEU A 20 0.730 11.169 9.482 1.00 0.00 C ATOM 245 C LEU A 20 0.063 12.023 10.556 1.00 0.00 C ATOM 246 O LEU A 20 0.119 13.252 10.508 1.00 0.00 O ATOM 247 CB LEU A 20 -0.312 10.253 8.830 1.00 0.00 C ATOM 248 CG LEU A 20 0.167 9.838 7.437 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.563 9.222 7.537 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.804 8.810 6.851 1.00 0.00 C ATOM 0 H LEU A 20 1.755 9.372 9.847 1.00 0.00 H new ATOM 0 HA LEU A 20 1.158 11.826 8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.472 9.370 9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.269 10.769 8.757 1.00 0.00 H new ATOM 0 HG LEU A 20 0.205 10.715 6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.903 8.927 6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.255 9.954 7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.528 8.345 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.464 8.513 5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.841 7.934 7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.799 9.250 6.778 1.00 0.00 H new ATOM 262 N ALA A 21 -0.567 11.365 11.525 1.00 0.00 N ATOM 263 CA ALA A 21 -1.240 12.076 12.606 1.00 0.00 C ATOM 264 C ALA A 21 -0.392 13.246 13.091 1.00 0.00 C ATOM 265 O ALA A 21 -0.913 14.322 13.390 1.00 0.00 O ATOM 266 CB ALA A 21 -1.509 11.120 13.770 1.00 0.00 C ATOM 0 H ALA A 21 -0.625 10.348 11.584 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.186 12.463 12.227 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.012 11.658 14.574 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.143 10.301 13.429 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.564 10.719 14.137 1.00 0.00 H new ATOM 272 N LEU A 22 0.917 13.031 13.165 1.00 0.00 N ATOM 273 CA LEU A 22 1.829 14.076 13.615 1.00 0.00 C ATOM 274 C LEU A 22 1.863 15.220 12.608 1.00 0.00 C ATOM 275 O LEU A 22 1.871 16.393 12.984 1.00 0.00 O ATOM 276 CB LEU A 22 3.240 13.501 13.786 1.00 0.00 C ATOM 277 CG LEU A 22 4.082 14.440 14.663 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.894 14.079 16.139 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.562 14.296 14.292 1.00 0.00 C ATOM 0 H LEU A 22 1.368 12.149 12.921 1.00 0.00 H new ATOM 0 HA LEU A 22 1.475 14.457 14.573 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.187 12.513 14.242 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.713 13.377 12.812 1.00 0.00 H new ATOM 0 HG LEU A 22 3.760 15.468 14.498 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.493 14.748 16.756 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.843 14.182 16.408 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.212 13.050 16.305 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.160 14.962 14.914 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.879 13.266 14.455 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.701 14.557 13.243 1.00 0.00 H new ATOM 291 N ARG A 23 1.879 14.872 11.325 1.00 0.00 N ATOM 292 CA ARG A 23 1.908 15.877 10.269 1.00 0.00 C ATOM 293 C ARG A 23 0.623 16.699 10.283 1.00 0.00 C ATOM 294 O ARG A 23 0.658 17.924 10.160 1.00 0.00 O ATOM 295 CB ARG A 23 2.069 15.198 8.907 1.00 0.00 C ATOM 296 CG ARG A 23 3.515 14.727 8.737 1.00 0.00 C ATOM 297 CD ARG A 23 3.649 13.954 7.424 1.00 0.00 C ATOM 298 NE ARG A 23 2.851 14.589 6.381 1.00 0.00 N ATOM 299 CZ ARG A 23 3.265 15.698 5.778 1.00 0.00 C ATOM 300 NH1 ARG A 23 4.404 16.239 6.114 1.00 0.00 N ATOM 301 NH2 ARG A 23 2.531 16.248 4.849 1.00 0.00 N ATOM 0 H ARG A 23 1.872 13.908 10.993 1.00 0.00 H new ATOM 0 HA ARG A 23 2.754 16.541 10.444 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.388 14.350 8.829 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.806 15.893 8.109 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.190 15.583 8.738 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.803 14.093 9.576 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.695 13.918 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.322 12.924 7.565 1.00 0.00 H new ATOM 0 HE ARG A 23 1.959 14.174 6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.978 15.810 6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.721 17.090 5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.640 15.826 4.586 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.848 17.099 4.386 1.00 0.00 H new ATOM 315 N ILE A 24 -0.507 16.018 10.431 1.00 0.00 N ATOM 316 CA ILE A 24 -1.798 16.695 10.459 1.00 0.00 C ATOM 317 C ILE A 24 -1.903 17.592 11.688 1.00 0.00 C ATOM 318 O ILE A 24 -2.459 18.688 11.622 1.00 0.00 O ATOM 319 CB ILE A 24 -2.928 15.665 10.477 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.720 14.663 9.340 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.270 16.377 10.288 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.814 13.595 9.392 1.00 0.00 C ATOM 0 H ILE A 24 -0.556 15.004 10.533 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.885 17.311 9.564 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.926 15.139 11.432 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.745 15.177 8.379 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.738 14.197 9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.076 15.643 10.301 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.419 17.094 11.096 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.272 16.902 9.333 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.665 12.882 8.581 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.768 13.073 10.348 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.790 14.068 9.284 1.00 0.00 H new ATOM 334 N ALA A 25 -1.365 17.120 12.809 1.00 0.00 N ATOM 335 CA ALA A 25 -1.404 17.892 14.046 1.00 0.00 C ATOM 336 C ALA A 25 -0.610 19.185 13.895 1.00 0.00 C ATOM 337 O ALA A 25 -1.111 20.271 14.184 1.00 0.00 O ATOM 338 CB ALA A 25 -0.825 17.066 15.196 1.00 0.00 C ATOM 0 H ALA A 25 -0.901 16.215 12.886 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.443 18.140 14.265 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.858 17.650 16.116 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.412 16.156 15.322 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.208 16.802 14.970 1.00 0.00 H new ATOM 344 N GLN A 26 0.631 19.061 13.436 1.00 0.00 N ATOM 345 CA GLN A 26 1.482 20.229 13.248 1.00 0.00 C ATOM 346 C GLN A 26 0.907 21.138 12.167 1.00 0.00 C ATOM 347 O GLN A 26 1.053 22.358 12.225 1.00 0.00 O ATOM 348 CB GLN A 26 2.894 19.790 12.852 1.00 0.00 C ATOM 349 CG GLN A 26 3.601 19.185 14.066 1.00 0.00 C ATOM 350 CD GLN A 26 4.849 18.432 13.619 1.00 0.00 C ATOM 351 OE1 GLN A 26 5.499 18.824 12.650 1.00 0.00 O ATOM 352 NE2 GLN A 26 5.225 17.366 14.272 1.00 0.00 N ATOM 0 H GLN A 26 1.066 18.172 13.189 1.00 0.00 H new ATOM 0 HA GLN A 26 1.525 20.780 14.187 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.846 19.059 12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.459 20.643 12.477 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.873 19.972 14.769 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.926 18.509 14.591 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.685 17.043 15.075 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.059 16.856 13.980 1.00 0.00 H new ATOM 361 N SER A 27 0.253 20.533 11.181 1.00 0.00 N ATOM 362 CA SER A 27 -0.343 21.295 10.091 1.00 0.00 C ATOM 363 C SER A 27 -1.611 22.002 10.558 1.00 0.00 C ATOM 364 O SER A 27 -1.706 23.228 10.500 1.00 0.00 O ATOM 365 CB SER A 27 -0.676 20.364 8.924 1.00 0.00 C ATOM 366 OG SER A 27 -0.973 21.142 7.773 1.00 0.00 O ATOM 0 H SER A 27 0.123 19.524 11.115 1.00 0.00 H new ATOM 0 HA SER A 27 0.376 22.046 9.764 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.165 19.701 8.722 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.527 19.732 9.179 1.00 0.00 H new ATOM 0 HG SER A 27 -1.185 20.548 7.023 1.00 0.00 H new ATOM 372 N GLU A 28 -2.584 21.223 11.020 1.00 0.00 N ATOM 373 CA GLU A 28 -3.841 21.790 11.493 1.00 0.00 C ATOM 374 C GLU A 28 -3.592 22.760 12.644 1.00 0.00 C ATOM 375 O GLU A 28 -4.378 23.677 12.876 1.00 0.00 O ATOM 376 CB GLU A 28 -4.784 20.670 11.948 1.00 0.00 C ATOM 377 CG GLU A 28 -4.317 20.104 13.294 1.00 0.00 C ATOM 378 CD GLU A 28 -4.866 20.949 14.440 1.00 0.00 C ATOM 379 OE1 GLU A 28 -6.034 21.299 14.385 1.00 0.00 O ATOM 380 OE2 GLU A 28 -4.111 21.234 15.355 1.00 0.00 O ATOM 0 H GLU A 28 -2.527 20.206 11.077 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.305 22.337 10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.800 21.054 12.039 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.808 19.878 11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.653 19.073 13.399 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.228 20.090 13.333 1.00 0.00 H new ATOM 387 N ALA A 29 -2.492 22.552 13.362 1.00 0.00 N ATOM 388 CA ALA A 29 -2.150 23.416 14.487 1.00 0.00 C ATOM 389 C ALA A 29 -1.467 24.690 13.997 1.00 0.00 C ATOM 390 O ALA A 29 -1.729 25.780 14.505 1.00 0.00 O ATOM 391 CB ALA A 29 -1.222 22.678 15.452 1.00 0.00 C ATOM 0 H ALA A 29 -1.827 21.799 13.187 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.071 23.686 15.004 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.973 23.331 16.288 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.722 21.785 15.826 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.309 22.391 14.931 1.00 0.00 H new ATOM 397 N GLU A 30 -0.591 24.544 13.007 1.00 0.00 N ATOM 398 CA GLU A 30 0.124 25.692 12.457 1.00 0.00 C ATOM 399 C GLU A 30 -0.773 26.482 11.510 1.00 0.00 C ATOM 400 O GLU A 30 -0.568 27.677 11.299 1.00 0.00 O ATOM 401 CB GLU A 30 1.370 25.220 11.705 1.00 0.00 C ATOM 402 CG GLU A 30 2.434 24.769 12.707 1.00 0.00 C ATOM 403 CD GLU A 30 3.073 25.984 13.371 1.00 0.00 C ATOM 404 OE1 GLU A 30 2.663 27.090 13.057 1.00 0.00 O ATOM 405 OE2 GLU A 30 3.963 25.791 14.183 1.00 0.00 O ATOM 0 H GLU A 30 -0.360 23.651 12.572 1.00 0.00 H new ATOM 0 HA GLU A 30 0.420 26.339 13.283 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.114 24.398 11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.760 26.027 11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.984 24.126 13.463 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.197 24.179 12.199 1.00 0.00 H new ATOM 412 N LEU A 31 -1.768 25.808 10.942 1.00 0.00 N ATOM 413 CA LEU A 31 -2.690 26.458 10.019 1.00 0.00 C ATOM 414 C LEU A 31 -1.920 27.308 9.009 1.00 0.00 C ATOM 415 O LEU A 31 -2.022 28.535 9.008 1.00 0.00 O ATOM 416 CB LEU A 31 -3.672 27.337 10.805 1.00 0.00 C ATOM 417 CG LEU A 31 -4.904 26.513 11.209 1.00 0.00 C ATOM 418 CD1 LEU A 31 -5.539 27.121 12.463 1.00 0.00 C ATOM 419 CD2 LEU A 31 -5.928 26.524 10.070 1.00 0.00 C ATOM 0 H LEU A 31 -1.955 24.818 11.103 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.246 25.693 9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.184 27.737 11.694 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.977 28.189 10.198 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.597 25.487 11.414 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.413 26.536 12.749 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.815 27.113 13.278 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.842 28.148 12.256 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.801 25.939 10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.232 27.550 9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.481 26.091 9.175 1.00 0.00 H new ATOM 450 N SER A 33 -0.964 25.561 5.599 1.00 0.00 N ATOM 451 CA SER A 33 -1.351 24.990 4.314 1.00 0.00 C ATOM 452 C SER A 33 -2.812 25.304 4.007 1.00 0.00 C ATOM 453 O SER A 33 -3.563 24.436 3.562 1.00 0.00 O ATOM 454 CB SER A 33 -1.147 23.475 4.334 1.00 0.00 C ATOM 455 OG SER A 33 0.119 23.179 4.909 1.00 0.00 O ATOM 0 HA SER A 33 -0.725 25.431 3.538 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.941 22.997 4.908 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.202 23.076 3.321 1.00 0.00 H new ATOM 0 HG SER A 33 0.348 23.868 5.568 1.00 0.00 H new ATOM 461 N ASP A 34 -3.208 26.550 4.246 1.00 0.00 N ATOM 462 CA ASP A 34 -4.582 26.968 3.992 1.00 0.00 C ATOM 463 C ASP A 34 -5.053 26.464 2.631 1.00 0.00 C ATOM 464 O ASP A 34 -6.248 26.274 2.409 1.00 0.00 O ATOM 465 CB ASP A 34 -4.681 28.494 4.035 1.00 0.00 C ATOM 466 CG ASP A 34 -6.098 28.934 3.683 1.00 0.00 C ATOM 467 OD1 ASP A 34 -7.028 28.339 4.203 1.00 0.00 O ATOM 468 OD2 ASP A 34 -6.234 29.860 2.900 1.00 0.00 O ATOM 0 H ASP A 34 -2.602 27.284 4.613 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.220 26.541 4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.415 28.856 5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.970 28.933 3.335 1.00 0.00 H new ATOM 473 N GLU A 35 -4.105 26.250 1.725 1.00 0.00 N ATOM 474 CA GLU A 35 -4.434 25.767 0.389 1.00 0.00 C ATOM 475 C GLU A 35 -5.157 24.427 0.467 1.00 0.00 C ATOM 476 O GLU A 35 -6.068 24.156 -0.316 1.00 0.00 O ATOM 477 CB GLU A 35 -3.157 25.613 -0.439 1.00 0.00 C ATOM 478 CG GLU A 35 -3.502 25.027 -1.810 1.00 0.00 C ATOM 479 CD GLU A 35 -2.325 25.202 -2.762 1.00 0.00 C ATOM 480 OE1 GLU A 35 -1.420 24.385 -2.711 1.00 0.00 O ATOM 481 OE2 GLU A 35 -2.346 26.150 -3.531 1.00 0.00 O ATOM 0 H GLU A 35 -3.110 26.402 1.889 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.091 26.494 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.670 26.581 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.452 24.963 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.747 23.969 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.385 25.522 -2.215 1.00 0.00 H new ATOM 488 N ALA A 36 -4.746 23.593 1.416 1.00 0.00 N ATOM 489 CA ALA A 36 -5.361 22.282 1.587 1.00 0.00 C ATOM 490 C ALA A 36 -6.814 22.426 2.032 1.00 0.00 C ATOM 491 O ALA A 36 -7.719 21.855 1.423 1.00 0.00 O ATOM 492 CB ALA A 36 -4.585 21.472 2.627 1.00 0.00 C ATOM 0 H ALA A 36 -3.995 23.799 2.074 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.335 21.762 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.051 20.494 2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.555 21.344 2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.595 22.000 3.581 1.00 0.00 H new ATOM 498 N GLN A 37 -7.029 23.192 3.096 1.00 0.00 N ATOM 499 CA GLN A 37 -8.377 23.402 3.613 1.00 0.00 C ATOM 500 C GLN A 37 -9.279 23.992 2.534 1.00 0.00 C ATOM 501 O GLN A 37 -10.373 23.489 2.282 1.00 0.00 O ATOM 502 CB GLN A 37 -8.334 24.345 4.818 1.00 0.00 C ATOM 503 CG GLN A 37 -7.221 23.907 5.773 1.00 0.00 C ATOM 504 CD GLN A 37 -7.399 22.438 6.142 1.00 0.00 C ATOM 505 OE1 GLN A 37 -8.504 22.011 6.479 1.00 0.00 O ATOM 506 NE2 GLN A 37 -6.372 21.635 6.099 1.00 0.00 N ATOM 0 H GLN A 37 -6.294 23.674 3.614 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.782 22.438 3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.160 25.368 4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.294 24.336 5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.248 24.058 5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.240 24.522 6.673 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.458 21.991 5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.483 20.651 6.345 1.00 0.00 H new ATOM 515 N ALA A 38 -8.811 25.062 1.899 1.00 0.00 N ATOM 516 CA ALA A 38 -9.585 25.713 0.848 1.00 0.00 C ATOM 517 C ALA A 38 -9.959 24.710 -0.239 1.00 0.00 C ATOM 518 O ALA A 38 -11.125 24.602 -0.622 1.00 0.00 O ATOM 519 CB ALA A 38 -8.775 26.856 0.233 1.00 0.00 C ATOM 0 H ALA A 38 -7.907 25.494 2.092 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.498 26.113 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.361 27.336 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.533 27.587 1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.853 26.460 -0.194 1.00 0.00 H new ATOM 525 N ASP A 39 -8.966 23.980 -0.733 1.00 0.00 N ATOM 526 CA ASP A 39 -9.204 22.988 -1.775 1.00 0.00 C ATOM 527 C ASP A 39 -10.230 21.960 -1.312 1.00 0.00 C ATOM 528 O ASP A 39 -11.278 21.790 -1.934 1.00 0.00 O ATOM 529 CB ASP A 39 -7.895 22.282 -2.134 1.00 0.00 C ATOM 530 CG ASP A 39 -6.993 23.224 -2.924 1.00 0.00 C ATOM 531 OD1 ASP A 39 -6.968 24.399 -2.598 1.00 0.00 O ATOM 532 OD2 ASP A 39 -6.342 22.756 -3.843 1.00 0.00 O ATOM 0 H ASP A 39 -7.994 24.055 -0.431 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.592 23.500 -2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.388 21.956 -1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.104 21.388 -2.721 1.00 0.00 H new ATOM 537 N LEU A 40 -9.921 21.276 -0.215 1.00 0.00 N ATOM 538 CA LEU A 40 -10.825 20.266 0.325 1.00 0.00 C ATOM 539 C LEU A 40 -12.240 20.822 0.440 1.00 0.00 C ATOM 540 O LEU A 40 -13.211 20.148 0.097 1.00 0.00 O ATOM 541 CB LEU A 40 -10.339 19.812 1.704 1.00 0.00 C ATOM 542 CG LEU A 40 -9.027 19.026 1.562 1.00 0.00 C ATOM 543 CD1 LEU A 40 -8.229 19.118 2.863 1.00 0.00 C ATOM 544 CD2 LEU A 40 -9.335 17.553 1.264 1.00 0.00 C ATOM 0 H LEU A 40 -9.058 21.401 0.314 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.835 19.414 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.187 20.677 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.097 19.189 2.180 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.445 19.450 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.299 18.559 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.003 20.162 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.815 18.698 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.402 16.999 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.921 17.132 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.901 17.480 0.335 1.00 0.00 H new ATOM 556 N ALA A 41 -12.349 22.054 0.925 1.00 0.00 N ATOM 557 CA ALA A 41 -13.652 22.691 1.082 1.00 0.00 C ATOM 558 C ALA A 41 -14.288 22.953 -0.280 1.00 0.00 C ATOM 559 O ALA A 41 -15.422 22.547 -0.534 1.00 0.00 O ATOM 560 CB ALA A 41 -13.500 24.012 1.838 1.00 0.00 C ATOM 0 H ALA A 41 -11.557 22.628 1.214 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.297 22.020 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.477 24.481 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.073 23.821 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.841 24.677 1.280 1.00 0.00 H new ATOM 566 N LEU A 42 -13.548 23.633 -1.150 1.00 0.00 N ATOM 567 CA LEU A 42 -14.049 23.944 -2.483 1.00 0.00 C ATOM 568 C LEU A 42 -14.481 22.670 -3.205 1.00 0.00 C ATOM 569 O LEU A 42 -15.422 22.683 -3.997 1.00 0.00 O ATOM 570 CB LEU A 42 -12.962 24.653 -3.298 1.00 0.00 C ATOM 571 CG LEU A 42 -12.819 26.106 -2.822 1.00 0.00 C ATOM 572 CD1 LEU A 42 -11.391 26.593 -3.079 1.00 0.00 C ATOM 573 CD2 LEU A 42 -13.802 26.998 -3.588 1.00 0.00 C ATOM 0 H LEU A 42 -12.607 23.977 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.913 24.601 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.012 24.129 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.217 24.631 -4.358 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.036 26.156 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.292 27.624 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.688 25.963 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.175 26.539 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.699 28.029 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.587 26.944 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -14.821 26.656 -3.406 1.00 0.00 H new ATOM 585 N ARG A 43 -13.785 21.573 -2.924 1.00 0.00 N ATOM 586 CA ARG A 43 -14.105 20.296 -3.553 1.00 0.00 C ATOM 587 C ARG A 43 -15.284 19.633 -2.847 1.00 0.00 C ATOM 588 O ARG A 43 -16.160 19.055 -3.492 1.00 0.00 O ATOM 589 CB ARG A 43 -12.890 19.368 -3.499 1.00 0.00 C ATOM 590 CG ARG A 43 -13.166 18.117 -4.335 1.00 0.00 C ATOM 591 CD ARG A 43 -11.918 17.233 -4.363 1.00 0.00 C ATOM 592 NE ARG A 43 -12.016 16.256 -5.442 1.00 0.00 N ATOM 593 CZ ARG A 43 -12.813 15.198 -5.339 1.00 0.00 C ATOM 594 NH1 ARG A 43 -13.526 15.018 -4.260 1.00 0.00 N ATOM 595 NH2 ARG A 43 -12.883 14.337 -6.317 1.00 0.00 N ATOM 0 H ARG A 43 -13.002 21.542 -2.271 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.374 20.482 -4.593 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.008 19.884 -3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.678 19.089 -2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.006 17.564 -3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.446 18.400 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.030 17.850 -4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.805 16.720 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.464 16.387 -6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.472 15.690 -3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.137 14.205 -4.182 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.326 14.476 -7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.495 13.525 -6.238 1.00 0.00 H new ATOM 609 N ARG A 44 -15.300 19.722 -1.522 1.00 0.00 N ATOM 610 CA ARG A 44 -16.374 19.128 -0.738 1.00 0.00 C ATOM 611 C ARG A 44 -17.610 20.025 -0.766 1.00 0.00 C ATOM 612 O ARG A 44 -18.709 19.595 -0.417 1.00 0.00 O ATOM 613 CB ARG A 44 -15.903 18.927 0.706 1.00 0.00 C ATOM 614 CG ARG A 44 -17.111 18.726 1.623 1.00 0.00 C ATOM 615 CD ARG A 44 -16.653 18.107 2.945 1.00 0.00 C ATOM 616 NE ARG A 44 -15.338 18.619 3.313 1.00 0.00 N ATOM 617 CZ ARG A 44 -15.199 19.808 3.890 1.00 0.00 C ATOM 618 NH1 ARG A 44 -16.253 20.537 4.142 1.00 0.00 N ATOM 619 NH2 ARG A 44 -14.012 20.246 4.207 1.00 0.00 N ATOM 0 H ARG A 44 -14.585 20.197 -0.971 1.00 0.00 H new ATOM 0 HA ARG A 44 -16.637 18.162 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.242 18.062 0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.326 19.792 1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.603 19.681 1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -17.843 18.078 1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -17.373 18.336 3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.616 17.022 2.853 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.510 18.054 3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.181 20.193 3.896 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.148 21.450 4.585 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.189 19.676 4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.907 21.159 4.650 1.00 0.00 H new ATOM 633 N SER A 45 -17.419 21.273 -1.182 1.00 0.00 N ATOM 634 CA SER A 45 -18.524 22.222 -1.252 1.00 0.00 C ATOM 635 C SER A 45 -19.669 21.653 -2.082 1.00 0.00 C ATOM 636 O SER A 45 -19.700 20.458 -2.380 1.00 0.00 O ATOM 637 CB SER A 45 -18.044 23.535 -1.872 1.00 0.00 C ATOM 638 OG SER A 45 -17.143 24.174 -0.977 1.00 0.00 O ATOM 0 H SER A 45 -16.517 21.649 -1.474 1.00 0.00 H new ATOM 0 HA SER A 45 -18.884 22.408 -0.240 1.00 0.00 H new ATOM 0 HB2 SER A 45 -17.552 23.342 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 45 -18.894 24.186 -2.077 1.00 0.00 H new ATOM 0 HG SER A 45 -16.680 23.497 -0.441 1.00 0.00 H new ATOM 644 N LEU A 46 -20.609 22.516 -2.455 1.00 0.00 N ATOM 645 CA LEU A 46 -21.753 22.087 -3.253 1.00 0.00 C ATOM 646 C LEU A 46 -21.284 21.440 -4.554 1.00 0.00 C ATOM 647 O LEU A 46 -22.068 20.806 -5.260 1.00 0.00 O ATOM 648 CB LEU A 46 -22.651 23.288 -3.571 1.00 0.00 C ATOM 649 CG LEU A 46 -23.532 23.627 -2.361 1.00 0.00 C ATOM 650 CD1 LEU A 46 -24.586 22.530 -2.149 1.00 0.00 C ATOM 651 CD2 LEU A 46 -22.657 23.746 -1.109 1.00 0.00 C ATOM 0 H LEU A 46 -20.602 23.509 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 46 -22.319 21.354 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -22.038 24.149 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -23.277 23.064 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 46 -24.039 24.574 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -25.205 22.782 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -25.214 22.452 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -24.088 21.577 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -23.283 23.987 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -22.145 22.800 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -21.920 24.536 -1.254 1.00 0.00 H new ATOM 663 N ASP A 47 -20.003 21.606 -4.862 1.00 0.00 N ATOM 664 CA ASP A 47 -19.440 21.036 -6.080 1.00 0.00 C ATOM 665 C ASP A 47 -19.186 19.542 -5.906 1.00 0.00 C ATOM 666 O ASP A 47 -18.379 18.952 -6.625 1.00 0.00 O ATOM 667 CB ASP A 47 -18.129 21.741 -6.430 1.00 0.00 C ATOM 668 CG ASP A 47 -17.739 21.433 -7.871 1.00 0.00 C ATOM 669 OD1 ASP A 47 -18.455 21.859 -8.763 1.00 0.00 O ATOM 670 OD2 ASP A 47 -16.729 20.777 -8.063 1.00 0.00 O ATOM 0 H ASP A 47 -19.339 22.127 -4.290 1.00 0.00 H new ATOM 0 HA ASP A 47 -20.156 21.179 -6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -18.239 22.817 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.339 21.415 -5.753 1.00 0.00 H new ATOM 675 N SER A 48 -19.877 18.937 -4.946 1.00 0.00 N ATOM 676 CA SER A 48 -19.717 17.510 -4.685 1.00 0.00 C ATOM 677 C SER A 48 -20.542 16.688 -5.671 1.00 0.00 C ATOM 678 O SER A 48 -20.704 15.479 -5.503 1.00 0.00 O ATOM 679 CB SER A 48 -20.156 17.189 -3.257 1.00 0.00 C ATOM 680 OG SER A 48 -19.865 15.827 -2.971 1.00 0.00 O ATOM 0 H SER A 48 -20.549 19.408 -4.339 1.00 0.00 H new ATOM 0 HA SER A 48 -18.665 17.253 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 48 -19.640 17.839 -2.551 1.00 0.00 H new ATOM 0 HB3 SER A 48 -21.223 17.377 -3.142 1.00 0.00 H new ATOM 0 HG SER A 48 -20.065 15.278 -3.757 1.00 0.00 H new ATOM 894 N THR A 62 -8.482 -3.049 -21.659 1.00 0.00 N ATOM 895 CA THR A 62 -7.221 -3.504 -22.238 1.00 0.00 C ATOM 896 C THR A 62 -7.035 -5.003 -21.994 1.00 0.00 C ATOM 897 O THR A 62 -7.508 -5.534 -20.991 1.00 0.00 O ATOM 898 CB THR A 62 -6.054 -2.736 -21.607 1.00 0.00 C ATOM 899 OG1 THR A 62 -5.630 -3.406 -20.429 1.00 0.00 O ATOM 900 CG2 THR A 62 -6.505 -1.317 -21.255 1.00 0.00 C ATOM 0 HA THR A 62 -7.242 -3.319 -23.312 1.00 0.00 H new ATOM 0 HB THR A 62 -5.227 -2.686 -22.315 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.883 -2.917 -20.025 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.674 -0.772 -20.806 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.830 -0.803 -22.160 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.333 -1.363 -20.547 1.00 0.00 H new ATOM 908 N PRO A 63 -6.359 -5.690 -22.883 1.00 0.00 N ATOM 909 CA PRO A 63 -6.116 -7.153 -22.746 1.00 0.00 C ATOM 910 C PRO A 63 -5.837 -7.559 -21.300 1.00 0.00 C ATOM 911 O PRO A 63 -6.262 -8.624 -20.852 1.00 0.00 O ATOM 912 CB PRO A 63 -4.891 -7.384 -23.630 1.00 0.00 C ATOM 913 CG PRO A 63 -4.982 -6.346 -24.704 1.00 0.00 C ATOM 914 CD PRO A 63 -5.752 -5.156 -24.114 1.00 0.00 C ATOM 0 HA PRO A 63 -6.981 -7.749 -23.037 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.968 -7.280 -23.059 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.894 -8.389 -24.052 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.988 -6.039 -25.029 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.496 -6.742 -25.580 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.087 -4.319 -23.899 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.511 -4.791 -24.806 1.00 0.00 H new ATOM 922 N GLU A 64 -5.121 -6.704 -20.577 1.00 0.00 N ATOM 923 CA GLU A 64 -4.792 -6.986 -19.185 1.00 0.00 C ATOM 924 C GLU A 64 -6.052 -6.982 -18.325 1.00 0.00 C ATOM 925 O GLU A 64 -6.211 -7.819 -17.437 1.00 0.00 O ATOM 926 CB GLU A 64 -3.809 -5.938 -18.659 1.00 0.00 C ATOM 927 CG GLU A 64 -3.293 -6.365 -17.283 1.00 0.00 C ATOM 928 CD GLU A 64 -2.146 -5.458 -16.852 1.00 0.00 C ATOM 929 OE1 GLU A 64 -2.085 -4.340 -17.337 1.00 0.00 O ATOM 930 OE2 GLU A 64 -1.345 -5.894 -16.042 1.00 0.00 O ATOM 0 H GLU A 64 -4.760 -5.817 -20.929 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.333 -7.973 -19.132 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.976 -5.826 -19.353 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.299 -4.967 -18.590 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.100 -6.317 -16.552 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.955 -7.401 -17.317 1.00 0.00 H new ATOM 937 N GLN A 65 -6.946 -6.035 -18.596 1.00 0.00 N ATOM 938 CA GLN A 65 -8.189 -5.935 -17.840 1.00 0.00 C ATOM 939 C GLN A 65 -8.961 -7.247 -17.903 1.00 0.00 C ATOM 940 O GLN A 65 -9.253 -7.858 -16.875 1.00 0.00 O ATOM 941 CB GLN A 65 -9.052 -4.804 -18.403 1.00 0.00 C ATOM 942 CG GLN A 65 -8.340 -3.466 -18.197 1.00 0.00 C ATOM 943 CD GLN A 65 -8.418 -3.054 -16.732 1.00 0.00 C ATOM 944 OE1 GLN A 65 -7.509 -3.346 -15.954 1.00 0.00 O ATOM 945 NE2 GLN A 65 -9.457 -2.390 -16.304 1.00 0.00 N ATOM 0 H GLN A 65 -6.834 -5.332 -19.327 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.944 -5.721 -16.800 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.239 -4.969 -19.464 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.022 -4.792 -17.907 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.298 -3.548 -18.505 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.798 -2.701 -18.823 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.209 -2.149 -16.949 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.517 -2.112 -15.324 1.00 0.00 H new ATOM 954 N MET A 66 -9.289 -7.676 -19.118 1.00 0.00 N ATOM 955 CA MET A 66 -10.028 -8.920 -19.304 1.00 0.00 C ATOM 956 C MET A 66 -9.229 -10.104 -18.770 1.00 0.00 C ATOM 957 O MET A 66 -9.721 -10.879 -17.951 1.00 0.00 O ATOM 958 CB MET A 66 -10.328 -9.131 -20.789 1.00 0.00 C ATOM 959 CG MET A 66 -10.904 -7.844 -21.383 1.00 0.00 C ATOM 960 SD MET A 66 -11.647 -8.203 -22.994 1.00 0.00 S ATOM 961 CE MET A 66 -10.141 -8.777 -23.816 1.00 0.00 C ATOM 0 H MET A 66 -9.057 -7.185 -19.982 1.00 0.00 H new ATOM 0 HA MET A 66 -10.964 -8.851 -18.751 1.00 0.00 H new ATOM 0 HB2 MET A 66 -9.417 -9.412 -21.318 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.036 -9.950 -20.915 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.652 -7.424 -20.711 1.00 0.00 H new ATOM 0 HG3 MET A 66 -10.118 -7.097 -21.492 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.265 -8.701 -24.896 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.298 -8.161 -23.503 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.951 -9.815 -23.544 1.00 0.00 H new ATOM 971 N ALA A 67 -7.993 -10.236 -19.240 1.00 0.00 N ATOM 972 CA ALA A 67 -7.133 -11.328 -18.802 1.00 0.00 C ATOM 973 C ALA A 67 -7.115 -11.419 -17.279 1.00 0.00 C ATOM 974 O ALA A 67 -7.385 -12.475 -16.707 1.00 0.00 O ATOM 975 CB ALA A 67 -5.709 -11.113 -19.318 1.00 0.00 C ATOM 0 H ALA A 67 -7.567 -9.605 -19.919 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.529 -12.260 -19.206 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.074 -11.934 -18.986 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.718 -11.079 -20.407 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.319 -10.172 -18.929 1.00 0.00 H new ATOM 981 N LYS A 68 -6.795 -10.306 -16.629 1.00 0.00 N ATOM 982 CA LYS A 68 -6.745 -10.271 -15.172 1.00 0.00 C ATOM 983 C LYS A 68 -8.061 -10.765 -14.579 1.00 0.00 C ATOM 984 O LYS A 68 -8.074 -11.651 -13.724 1.00 0.00 O ATOM 985 CB LYS A 68 -6.471 -8.844 -14.692 1.00 0.00 C ATOM 986 CG LYS A 68 -6.349 -8.832 -13.167 1.00 0.00 C ATOM 987 CD LYS A 68 -5.716 -7.515 -12.715 1.00 0.00 C ATOM 988 CE LYS A 68 -5.867 -7.370 -11.199 1.00 0.00 C ATOM 989 NZ LYS A 68 -7.308 -7.216 -10.855 1.00 0.00 N ATOM 0 H LYS A 68 -6.568 -9.422 -17.084 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.940 -10.927 -14.839 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.553 -8.467 -15.144 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.277 -8.182 -15.008 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.333 -8.950 -12.712 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.741 -9.673 -12.834 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.661 -7.493 -12.990 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.195 -6.677 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.454 -8.245 -10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.304 -6.505 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.398 -6.682 -9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.794 -6.703 -11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.740 -8.155 -10.740 1.00 0.00 H new ATOM 1003 N GLU A 69 -9.165 -10.187 -15.040 1.00 0.00 N ATOM 1004 CA GLU A 69 -10.482 -10.578 -14.547 1.00 0.00 C ATOM 1005 C GLU A 69 -10.692 -12.079 -14.716 1.00 0.00 C ATOM 1006 O GLU A 69 -11.064 -12.774 -13.770 1.00 0.00 O ATOM 1007 CB GLU A 69 -11.570 -9.820 -15.310 1.00 0.00 C ATOM 1008 CG GLU A 69 -11.574 -8.354 -14.874 1.00 0.00 C ATOM 1009 CD GLU A 69 -12.472 -7.537 -15.796 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -13.155 -8.137 -16.610 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -12.463 -6.323 -15.676 1.00 0.00 O ATOM 0 H GLU A 69 -9.176 -9.453 -15.748 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.542 -10.331 -13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.392 -9.890 -16.383 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.544 -10.270 -15.118 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.926 -8.273 -13.845 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.559 -7.957 -14.896 1.00 0.00 H new ATOM 1018 N MET A 70 -10.448 -12.573 -15.926 1.00 0.00 N ATOM 1019 CA MET A 70 -10.614 -13.995 -16.207 1.00 0.00 C ATOM 1020 C MET A 70 -9.799 -14.834 -15.227 1.00 0.00 C ATOM 1021 O MET A 70 -10.353 -15.606 -14.446 1.00 0.00 O ATOM 1022 CB MET A 70 -10.167 -14.301 -17.637 1.00 0.00 C ATOM 1023 CG MET A 70 -11.200 -13.755 -18.624 1.00 0.00 C ATOM 1024 SD MET A 70 -10.728 -14.219 -20.309 1.00 0.00 S ATOM 1025 CE MET A 70 -12.402 -14.354 -20.985 1.00 0.00 C ATOM 0 H MET A 70 -10.137 -12.015 -16.721 1.00 0.00 H new ATOM 0 HA MET A 70 -11.668 -14.247 -16.094 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.193 -13.851 -17.829 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.054 -15.377 -17.771 1.00 0.00 H new ATOM 0 HG2 MET A 70 -12.188 -14.151 -18.389 1.00 0.00 H new ATOM 0 HG3 MET A 70 -11.263 -12.670 -18.538 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.348 -14.637 -22.036 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.957 -15.112 -20.433 1.00 0.00 H new ATOM 0 HE3 MET A 70 -12.910 -13.394 -20.893 1.00 0.00 H new ATOM 1035 N SER A 71 -8.480 -14.675 -15.275 1.00 0.00 N ATOM 1036 CA SER A 71 -7.597 -15.424 -14.387 1.00 0.00 C ATOM 1037 C SER A 71 -8.026 -15.253 -12.934 1.00 0.00 C ATOM 1038 O SER A 71 -8.076 -16.220 -12.173 1.00 0.00 O ATOM 1039 CB SER A 71 -6.156 -14.941 -14.555 1.00 0.00 C ATOM 1040 OG SER A 71 -5.779 -15.055 -15.921 1.00 0.00 O ATOM 0 H SER A 71 -8.002 -14.040 -15.914 1.00 0.00 H new ATOM 0 HA SER A 71 -7.660 -16.480 -14.650 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.067 -13.906 -14.226 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.487 -15.533 -13.930 1.00 0.00 H new ATOM 0 HG SER A 71 -6.095 -14.270 -16.414 1.00 0.00 H new ATOM 1046 N GLU A 72 -8.334 -14.018 -12.553 1.00 0.00 N ATOM 1047 CA GLU A 72 -8.756 -13.733 -11.186 1.00 0.00 C ATOM 1048 C GLU A 72 -10.028 -14.504 -10.846 1.00 0.00 C ATOM 1049 O GLU A 72 -10.231 -14.910 -9.701 1.00 0.00 O ATOM 1050 CB GLU A 72 -9.005 -12.231 -11.019 1.00 0.00 C ATOM 1051 CG GLU A 72 -9.305 -11.916 -9.550 1.00 0.00 C ATOM 1052 CD GLU A 72 -10.752 -12.267 -9.222 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -11.635 -11.702 -9.846 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -10.957 -13.098 -8.351 1.00 0.00 O ATOM 0 H GLU A 72 -8.300 -13.204 -13.166 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.963 -14.047 -10.507 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.132 -11.669 -11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.841 -11.920 -11.645 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.631 -12.479 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.126 -10.859 -9.353 1.00 0.00 H new ATOM 1061 N PHE A 73 -10.880 -14.702 -11.846 1.00 0.00 N ATOM 1062 CA PHE A 73 -12.130 -15.426 -11.640 1.00 0.00 C ATOM 1063 C PHE A 73 -11.886 -16.932 -11.660 1.00 0.00 C ATOM 1064 O PHE A 73 -12.268 -17.645 -10.732 1.00 0.00 O ATOM 1065 CB PHE A 73 -13.135 -15.055 -12.733 1.00 0.00 C ATOM 1066 CG PHE A 73 -14.514 -15.520 -12.331 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -14.918 -16.831 -12.607 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -15.387 -14.639 -11.681 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -16.198 -17.262 -12.234 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -16.665 -15.070 -11.308 1.00 0.00 C ATOM 1071 CZ PHE A 73 -17.071 -16.381 -11.583 1.00 0.00 C ATOM 0 H PHE A 73 -10.730 -14.374 -12.800 1.00 0.00 H new ATOM 0 HA PHE A 73 -12.533 -15.147 -10.666 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.135 -13.976 -12.890 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.846 -15.515 -13.678 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.244 -17.510 -13.107 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -15.074 -13.628 -11.468 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -16.511 -18.273 -12.448 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -17.339 -14.390 -10.807 1.00 0.00 H new ATOM 0 HZ PHE A 73 -18.057 -16.713 -11.293 1.00 0.00 H new ATOM 1081 N LEU A 74 -11.249 -17.409 -12.724 1.00 0.00 N ATOM 1082 CA LEU A 74 -10.959 -18.832 -12.855 1.00 0.00 C ATOM 1083 C LEU A 74 -9.954 -19.275 -11.796 1.00 0.00 C ATOM 1084 O LEU A 74 -9.758 -20.470 -11.575 1.00 0.00 O ATOM 1085 CB LEU A 74 -10.395 -19.126 -14.248 1.00 0.00 C ATOM 1086 CG LEU A 74 -11.334 -18.561 -15.318 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -10.650 -18.636 -16.685 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -12.631 -19.378 -15.353 1.00 0.00 C ATOM 0 H LEU A 74 -10.926 -16.836 -13.503 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.887 -19.385 -12.714 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.404 -18.683 -14.350 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.279 -20.201 -14.384 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.568 -17.523 -15.081 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.317 -18.234 -17.448 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.730 -18.053 -16.664 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.416 -19.675 -16.918 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.296 -18.973 -16.116 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.400 -20.417 -15.588 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.120 -19.326 -14.380 1.00 0.00 H new