USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 840 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 5 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.026) USER MOD Single : A 8 GLN : amide:sc= 0.763 K(o=0.76,f=-0.28) USER MOD Single : A 9 THR OG1 : rot 77:sc= 1.3 USER MOD Single : A 15 GLN : amide:sc= 1.11 K(o=1.1,f=-0.97) USER MOD Single : A 18 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.53) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -91:sc= 1.15 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.879 F(o=-1.5!,f=-0.88) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0258 (180deg=-0.269) USER MOD Single : A 46 HIS : no HE2:sc= -0.289 K(o=-0.29,f=-0.91) USER MOD Single : A 48 GLN : amide:sc= 0.665 K(o=0.66,f=-6.3!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.109 (180deg=-0.498) USER MOD Single : A 64 GLN :FLIP amide:sc=-0.00517 F(o=-1.2,f=-0.0052) USER MOD Single : A 67 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.98) USER MOD Single : A 70 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.0056) USER MOD Single : A 73 GLN : amide:sc= 0.291 K(o=0.29,f=-6.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= -0.0624 (180deg=-0.284) USER MOD Single : A 86 SER OG : rot 56:sc= 1.16 USER MOD Single : A 89 GLN : amide:sc= -0.278 K(o=-0.28,f=-1) USER MOD Single : A 96 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.36) USER MOD Single : A 99 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.25) USER MOD Single : A 100 LYS NZ :NH3+ 128:sc= -0.24 (180deg=-0.63) USER MOD Single : A 107 LYS NZ :NH3+ -108:sc= -1.23 (180deg=-3.56!) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 10.040 4.068 12.337 1.00 0.00 N ATOM 65 CA LYS A 5 10.366 3.374 11.091 1.00 0.00 C ATOM 66 C LYS A 5 9.099 3.019 10.332 1.00 0.00 C ATOM 67 O LYS A 5 9.049 3.100 9.100 1.00 0.00 O ATOM 68 CB LYS A 5 11.204 2.116 11.352 1.00 0.00 C ATOM 69 CG LYS A 5 12.570 2.390 11.962 1.00 0.00 C ATOM 70 CD LYS A 5 13.379 1.108 12.087 1.00 0.00 C ATOM 71 CE LYS A 5 14.784 1.374 12.610 1.00 0.00 C ATOM 72 NZ LYS A 5 14.779 1.877 14.007 1.00 0.00 N ATOM 0 HA LYS A 5 10.963 4.051 10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.648 1.455 12.017 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.339 1.582 10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.111 3.107 11.344 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.448 2.845 12.945 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.866 0.419 12.758 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.440 0.620 11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.368 0.455 12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.277 2.102 11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.758 1.963 14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.318 2.809 14.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.258 1.212 14.614 1.00 0.00 H new ATOM 86 N LEU A 6 8.075 2.641 11.075 1.00 0.00 N ATOM 87 CA LEU A 6 6.789 2.309 10.495 1.00 0.00 C ATOM 88 C LEU A 6 6.169 3.556 9.861 1.00 0.00 C ATOM 89 O LEU A 6 5.639 3.501 8.751 1.00 0.00 O ATOM 90 CB LEU A 6 5.868 1.714 11.576 1.00 0.00 C ATOM 91 CG LEU A 6 4.527 1.129 11.106 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.046 0.081 12.090 1.00 0.00 C ATOM 93 CD2 LEU A 6 3.472 2.223 10.963 1.00 0.00 C ATOM 0 H LEU A 6 8.111 2.556 12.091 1.00 0.00 H new ATOM 0 HA LEU A 6 6.921 1.561 9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.418 0.928 12.094 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.659 2.493 12.309 1.00 0.00 H new ATOM 0 HG LEU A 6 4.681 0.669 10.130 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.095 -0.329 11.749 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.782 -0.720 12.158 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.914 0.537 13.071 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.533 1.782 10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.321 2.711 11.926 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.807 2.958 10.232 1.00 0.00 H new ATOM 105 N ARG A 7 6.266 4.682 10.565 1.00 0.00 N ATOM 106 CA ARG A 7 5.727 5.946 10.073 1.00 0.00 C ATOM 107 C ARG A 7 6.430 6.380 8.800 1.00 0.00 C ATOM 108 O ARG A 7 5.786 6.813 7.852 1.00 0.00 O ATOM 109 CB ARG A 7 5.839 7.045 11.131 1.00 0.00 C ATOM 110 CG ARG A 7 4.974 6.818 12.358 1.00 0.00 C ATOM 111 CD ARG A 7 3.494 6.842 12.018 1.00 0.00 C ATOM 112 NE ARG A 7 3.037 8.178 11.619 1.00 0.00 N ATOM 113 CZ ARG A 7 1.886 8.722 12.022 1.00 0.00 C ATOM 114 NH1 ARG A 7 1.065 8.038 12.802 1.00 0.00 N ATOM 115 NH2 ARG A 7 1.553 9.943 11.635 1.00 0.00 N ATOM 0 H ARG A 7 6.714 4.744 11.479 1.00 0.00 H new ATOM 0 HA ARG A 7 4.672 5.785 9.852 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.880 7.128 11.444 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.566 7.998 10.679 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.228 5.859 12.809 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.189 7.586 13.101 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.297 6.137 11.211 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.919 6.506 12.881 1.00 0.00 H new ATOM 0 HE ARG A 7 3.634 8.723 10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.311 7.093 13.097 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.186 8.456 13.109 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.177 10.473 11.026 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.673 10.354 11.946 1.00 0.00 H new ATOM 129 N GLN A 8 7.756 6.260 8.776 1.00 0.00 N ATOM 130 CA GLN A 8 8.520 6.632 7.593 1.00 0.00 C ATOM 131 C GLN A 8 8.135 5.757 6.411 1.00 0.00 C ATOM 132 O GLN A 8 7.904 6.254 5.315 1.00 0.00 O ATOM 133 CB GLN A 8 10.020 6.514 7.846 1.00 0.00 C ATOM 134 CG GLN A 8 10.855 6.795 6.607 1.00 0.00 C ATOM 135 CD GLN A 8 12.312 6.461 6.789 1.00 0.00 C ATOM 136 OE1 GLN A 8 12.858 6.569 7.884 1.00 0.00 O ATOM 137 NE2 GLN A 8 12.946 6.025 5.723 1.00 0.00 N ATOM 0 H GLN A 8 8.316 5.912 9.554 1.00 0.00 H new ATOM 0 HA GLN A 8 8.285 7.671 7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.306 7.209 8.635 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.244 5.511 8.209 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.458 6.220 5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.760 7.848 6.343 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.455 5.951 4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.929 5.761 5.787 1.00 0.00 H new ATOM 146 N THR A 9 8.043 4.457 6.651 1.00 0.00 N ATOM 147 CA THR A 9 7.680 3.517 5.607 1.00 0.00 C ATOM 148 C THR A 9 6.264 3.802 5.103 1.00 0.00 C ATOM 149 O THR A 9 6.009 3.802 3.895 1.00 0.00 O ATOM 150 CB THR A 9 7.772 2.067 6.114 1.00 0.00 C ATOM 151 OG1 THR A 9 9.068 1.844 6.691 1.00 0.00 O ATOM 152 CG2 THR A 9 7.555 1.085 4.973 1.00 0.00 C ATOM 0 H THR A 9 8.215 4.031 7.562 1.00 0.00 H new ATOM 0 HA THR A 9 8.384 3.641 4.784 1.00 0.00 H new ATOM 0 HB THR A 9 6.997 1.911 6.864 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.105 2.254 7.580 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.624 0.065 5.352 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.568 1.244 4.538 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.317 1.240 4.209 1.00 0.00 H new ATOM 160 N GLY A 10 5.355 4.062 6.036 1.00 0.00 N ATOM 161 CA GLY A 10 3.997 4.397 5.676 1.00 0.00 C ATOM 162 C GLY A 10 3.934 5.682 4.881 1.00 0.00 C ATOM 163 O GLY A 10 3.183 5.787 3.913 1.00 0.00 O ATOM 0 H GLY A 10 5.539 4.046 7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.564 3.585 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.394 4.497 6.579 1.00 0.00 H new ATOM 167 N ASP A 11 4.735 6.657 5.286 1.00 0.00 N ATOM 168 CA ASP A 11 4.796 7.938 4.596 1.00 0.00 C ATOM 169 C ASP A 11 5.373 7.765 3.197 1.00 0.00 C ATOM 170 O ASP A 11 4.887 8.368 2.239 1.00 0.00 O ATOM 171 CB ASP A 11 5.626 8.944 5.391 1.00 0.00 C ATOM 172 CG ASP A 11 5.649 10.308 4.741 1.00 0.00 C ATOM 173 OD1 ASP A 11 4.671 11.063 4.899 1.00 0.00 O ATOM 174 OD2 ASP A 11 6.650 10.637 4.074 1.00 0.00 O1- ATOM 0 H ASP A 11 5.355 6.585 6.093 1.00 0.00 H new ATOM 0 HA ASP A 11 3.780 8.324 4.509 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.220 9.031 6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.646 8.573 5.489 1.00 0.00 H new ATOM 179 N GLU A 12 6.407 6.927 3.080 1.00 0.00 N ATOM 180 CA GLU A 12 7.007 6.632 1.782 1.00 0.00 C ATOM 181 C GLU A 12 5.973 5.998 0.859 1.00 0.00 C ATOM 182 O GLU A 12 5.956 6.264 -0.348 1.00 0.00 O ATOM 183 CB GLU A 12 8.233 5.719 1.922 1.00 0.00 C ATOM 184 CG GLU A 12 9.461 6.413 2.500 1.00 0.00 C ATOM 185 CD GLU A 12 10.720 5.570 2.388 1.00 0.00 C ATOM 186 OE1 GLU A 12 11.113 5.225 1.244 1.00 0.00 O ATOM 187 OE2 GLU A 12 11.344 5.270 3.430 1.00 0.00 O1- ATOM 0 H GLU A 12 6.842 6.444 3.866 1.00 0.00 H new ATOM 0 HA GLU A 12 7.345 7.572 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.973 4.874 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.485 5.314 0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.616 7.359 1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.279 6.649 3.548 1.00 0.00 H new ATOM 194 N LEU A 13 5.108 5.164 1.435 1.00 0.00 N ATOM 195 CA LEU A 13 4.015 4.559 0.688 1.00 0.00 C ATOM 196 C LEU A 13 3.097 5.641 0.142 1.00 0.00 C ATOM 197 O LEU A 13 2.732 5.620 -1.030 1.00 0.00 O ATOM 198 CB LEU A 13 3.213 3.592 1.572 1.00 0.00 C ATOM 199 CG LEU A 13 3.861 2.233 1.851 1.00 0.00 C ATOM 200 CD1 LEU A 13 3.074 1.476 2.909 1.00 0.00 C ATOM 201 CD2 LEU A 13 3.939 1.413 0.571 1.00 0.00 C ATOM 0 H LEU A 13 5.146 4.894 2.418 1.00 0.00 H new ATOM 0 HA LEU A 13 4.441 3.993 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.020 4.081 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.246 3.420 1.100 1.00 0.00 H new ATOM 0 HG LEU A 13 4.872 2.402 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.548 0.512 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.055 2.055 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.054 1.317 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.402 0.449 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.934 1.254 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.537 1.947 -0.168 1.00 0.00 H new ATOM 213 N VAL A 14 2.751 6.603 0.997 1.00 0.00 N ATOM 214 CA VAL A 14 1.882 7.708 0.607 1.00 0.00 C ATOM 215 C VAL A 14 2.490 8.486 -0.558 1.00 0.00 C ATOM 216 O VAL A 14 1.801 8.808 -1.526 1.00 0.00 O ATOM 217 CB VAL A 14 1.618 8.678 1.791 1.00 0.00 C ATOM 218 CG1 VAL A 14 0.731 9.840 1.358 1.00 0.00 C ATOM 219 CG2 VAL A 14 0.985 7.935 2.958 1.00 0.00 C ATOM 0 H VAL A 14 3.062 6.637 1.968 1.00 0.00 H new ATOM 0 HA VAL A 14 0.931 7.273 0.299 1.00 0.00 H new ATOM 0 HB VAL A 14 2.576 9.084 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.562 10.504 2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.221 10.393 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.225 9.455 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.807 8.630 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.038 7.498 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.656 7.143 3.292 1.00 0.00 H new ATOM 229 N GLN A 15 3.790 8.756 -0.472 1.00 0.00 N ATOM 230 CA GLN A 15 4.490 9.478 -1.532 1.00 0.00 C ATOM 231 C GLN A 15 4.441 8.682 -2.834 1.00 0.00 C ATOM 232 O GLN A 15 4.259 9.244 -3.916 1.00 0.00 O ATOM 233 CB GLN A 15 5.947 9.738 -1.144 1.00 0.00 C ATOM 234 CG GLN A 15 6.128 10.430 0.198 1.00 0.00 C ATOM 235 CD GLN A 15 7.577 10.779 0.473 1.00 0.00 C ATOM 236 OE1 GLN A 15 8.338 11.081 -0.445 1.00 0.00 O ATOM 237 NE2 GLN A 15 7.972 10.735 1.730 1.00 0.00 N ATOM 0 H GLN A 15 4.378 8.487 0.317 1.00 0.00 H new ATOM 0 HA GLN A 15 3.990 10.436 -1.675 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.479 8.787 -1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.413 10.347 -1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.527 11.339 0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.755 9.782 0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.311 10.480 2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.939 10.956 1.969 1.00 0.00 H new ATOM 246 N ALA A 16 4.589 7.366 -2.717 1.00 0.00 N ATOM 247 CA ALA A 16 4.556 6.482 -3.871 1.00 0.00 C ATOM 248 C ALA A 16 3.179 6.484 -4.517 1.00 0.00 C ATOM 249 O ALA A 16 3.060 6.519 -5.742 1.00 0.00 O ATOM 250 CB ALA A 16 4.953 5.068 -3.472 1.00 0.00 C ATOM 0 H ALA A 16 4.734 6.888 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 16 5.276 6.852 -4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.923 4.421 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.963 5.076 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.258 4.694 -2.720 1.00 0.00 H new ATOM 256 N PHE A 17 2.140 6.455 -3.691 1.00 0.00 N ATOM 257 CA PHE A 17 0.769 6.464 -4.190 1.00 0.00 C ATOM 258 C PHE A 17 0.448 7.793 -4.854 1.00 0.00 C ATOM 259 O PHE A 17 -0.230 7.837 -5.874 1.00 0.00 O ATOM 260 CB PHE A 17 -0.235 6.161 -3.072 1.00 0.00 C ATOM 261 CG PHE A 17 0.016 4.852 -2.371 1.00 0.00 C ATOM 262 CD1 PHE A 17 -0.156 4.746 -1.003 1.00 0.00 C ATOM 263 CD2 PHE A 17 0.440 3.733 -3.076 1.00 0.00 C ATOM 264 CE1 PHE A 17 0.088 3.554 -0.352 1.00 0.00 C ATOM 265 CE2 PHE A 17 0.683 2.540 -2.426 1.00 0.00 C ATOM 266 CZ PHE A 17 0.507 2.452 -1.064 1.00 0.00 C ATOM 0 H PHE A 17 2.220 6.425 -2.675 1.00 0.00 H new ATOM 0 HA PHE A 17 0.682 5.675 -4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.203 6.967 -2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.241 6.151 -3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.485 5.606 -0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.581 3.797 -4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.050 3.485 0.717 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.011 1.676 -2.986 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.697 1.519 -0.554 1.00 0.00 H new ATOM 276 N GLN A 18 0.943 8.879 -4.270 1.00 0.00 N ATOM 277 CA GLN A 18 0.758 10.203 -4.846 1.00 0.00 C ATOM 278 C GLN A 18 1.450 10.288 -6.201 1.00 0.00 C ATOM 279 O GLN A 18 0.933 10.898 -7.141 1.00 0.00 O ATOM 280 CB GLN A 18 1.285 11.277 -3.903 1.00 0.00 C ATOM 281 CG GLN A 18 0.400 11.504 -2.689 1.00 0.00 C ATOM 282 CD GLN A 18 -0.968 12.039 -3.068 1.00 0.00 C ATOM 283 OE1 GLN A 18 -1.909 11.276 -3.299 1.00 0.00 O ATOM 284 NE2 GLN A 18 -1.083 13.349 -3.146 1.00 0.00 N ATOM 0 H GLN A 18 1.474 8.867 -3.399 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.309 10.374 -4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.284 10.997 -3.568 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.384 12.214 -4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.284 10.566 -2.146 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.888 12.206 -2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.279 13.944 -2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.976 13.768 -3.406 1.00 0.00 H new ATOM 293 N ARG A 19 2.620 9.666 -6.295 1.00 0.00 N ATOM 294 CA ARG A 19 3.351 9.597 -7.549 1.00 0.00 C ATOM 295 C ARG A 19 2.543 8.777 -8.549 1.00 0.00 C ATOM 296 O ARG A 19 2.389 9.154 -9.712 1.00 0.00 O ATOM 297 CB ARG A 19 4.714 8.937 -7.330 1.00 0.00 C ATOM 298 CG ARG A 19 5.640 9.018 -8.530 1.00 0.00 C ATOM 299 CD ARG A 19 6.779 8.013 -8.429 1.00 0.00 C ATOM 300 NE ARG A 19 7.519 8.118 -7.165 1.00 0.00 N ATOM 301 CZ ARG A 19 8.496 7.280 -6.800 1.00 0.00 C ATOM 302 NH1 ARG A 19 8.880 6.311 -7.620 1.00 0.00 N ATOM 303 NH2 ARG A 19 9.090 7.421 -5.619 1.00 0.00 N ATOM 0 H ARG A 19 3.082 9.202 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 19 3.507 10.605 -7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.201 9.408 -6.476 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.561 7.889 -7.072 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.072 8.834 -9.442 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.049 10.025 -8.607 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.378 7.004 -8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.466 8.165 -9.261 1.00 0.00 H new ATOM 0 HE ARG A 19 7.273 8.875 -6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.430 6.204 -8.529 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.625 5.672 -7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.801 8.169 -4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.835 6.781 -5.343 1.00 0.00 H new ATOM 317 N LEU A 20 2.011 7.664 -8.062 1.00 0.00 N ATOM 318 CA LEU A 20 1.201 6.759 -8.859 1.00 0.00 C ATOM 319 C LEU A 20 -0.052 7.462 -9.375 1.00 0.00 C ATOM 320 O LEU A 20 -0.476 7.236 -10.495 1.00 0.00 O ATOM 321 CB LEU A 20 0.811 5.531 -8.025 1.00 0.00 C ATOM 322 CG LEU A 20 0.073 4.417 -8.771 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.973 3.794 -9.825 1.00 0.00 C ATOM 324 CD2 LEU A 20 -0.422 3.359 -7.795 1.00 0.00 C ATOM 0 H LEU A 20 2.132 7.363 -7.095 1.00 0.00 H new ATOM 0 HA LEU A 20 1.790 6.436 -9.718 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.717 5.110 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.184 5.863 -7.197 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.791 4.852 -9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.431 3.004 -10.345 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.277 4.557 -10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.857 3.373 -9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.944 2.575 -8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.427 2.928 -7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.104 3.816 -7.078 1.00 0.00 H new ATOM 336 N ARG A 21 -0.627 8.321 -8.541 1.00 0.00 N ATOM 337 CA ARG A 21 -1.839 9.062 -8.889 1.00 0.00 C ATOM 338 C ARG A 21 -1.633 9.902 -10.146 1.00 0.00 C ATOM 339 O ARG A 21 -2.475 9.909 -11.048 1.00 0.00 O ATOM 340 CB ARG A 21 -2.227 9.982 -7.741 1.00 0.00 C ATOM 341 CG ARG A 21 -3.484 10.787 -8.001 1.00 0.00 C ATOM 342 CD ARG A 21 -3.609 11.920 -7.013 1.00 0.00 C ATOM 343 NE ARG A 21 -4.825 12.704 -7.223 1.00 0.00 N ATOM 344 CZ ARG A 21 -4.845 13.998 -7.552 1.00 0.00 C ATOM 345 NH1 ARG A 21 -3.719 14.631 -7.879 1.00 0.00 N ATOM 346 NH2 ARG A 21 -6.000 14.648 -7.611 1.00 0.00 N ATOM 0 H ARG A 21 -0.270 8.525 -7.608 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.631 8.337 -9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.369 9.384 -6.841 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.403 10.667 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.463 11.184 -9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.357 10.139 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.608 11.518 -6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.739 12.572 -7.098 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.721 12.229 -7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.832 14.127 -7.879 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.744 15.620 -8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.871 14.159 -7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.017 15.636 -7.862 1.00 0.00 H new ATOM 360 N GLU A 22 -0.515 10.600 -10.203 1.00 0.00 N ATOM 361 CA GLU A 22 -0.210 11.447 -11.347 1.00 0.00 C ATOM 362 C GLU A 22 0.069 10.599 -12.579 1.00 0.00 C ATOM 363 O GLU A 22 -0.378 10.914 -13.682 1.00 0.00 O ATOM 364 CB GLU A 22 0.975 12.357 -11.036 1.00 0.00 C ATOM 365 CG GLU A 22 0.754 13.238 -9.815 1.00 0.00 C ATOM 366 CD GLU A 22 -0.539 14.022 -9.892 1.00 0.00 C ATOM 367 OE1 GLU A 22 -0.580 15.041 -10.613 1.00 0.00 O ATOM 368 OE2 GLU A 22 -1.525 13.621 -9.236 1.00 0.00 O1- ATOM 0 H GLU A 22 0.198 10.599 -9.473 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.077 12.074 -11.555 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.863 11.745 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.175 12.990 -11.901 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.746 12.617 -8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.590 13.931 -9.715 1.00 0.00 H new ATOM 375 N ILE A 23 0.789 9.511 -12.374 1.00 0.00 N ATOM 376 CA ILE A 23 1.104 8.580 -13.445 1.00 0.00 C ATOM 377 C ILE A 23 -0.174 7.932 -13.979 1.00 0.00 C ATOM 378 O ILE A 23 -0.353 7.783 -15.189 1.00 0.00 O ATOM 379 CB ILE A 23 2.078 7.493 -12.945 1.00 0.00 C ATOM 380 CG1 ILE A 23 3.417 8.130 -12.571 1.00 0.00 C ATOM 381 CG2 ILE A 23 2.269 6.412 -13.994 1.00 0.00 C ATOM 382 CD1 ILE A 23 4.392 7.173 -11.934 1.00 0.00 C ATOM 0 H ILE A 23 1.171 9.248 -11.466 1.00 0.00 H new ATOM 0 HA ILE A 23 1.582 9.134 -14.253 1.00 0.00 H new ATOM 0 HB ILE A 23 1.652 7.022 -12.059 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.871 8.552 -13.468 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.235 8.958 -11.886 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.960 5.658 -13.617 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.309 5.946 -14.216 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.676 6.855 -14.903 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.317 7.699 -11.698 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.960 6.769 -11.018 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.605 6.357 -12.625 1.00 0.00 H new ATOM 394 N PHE A 24 -1.057 7.567 -13.062 1.00 0.00 N ATOM 395 CA PHE A 24 -2.348 6.986 -13.396 1.00 0.00 C ATOM 396 C PHE A 24 -3.174 7.960 -14.232 1.00 0.00 C ATOM 397 O PHE A 24 -3.795 7.572 -15.220 1.00 0.00 O ATOM 398 CB PHE A 24 -3.096 6.620 -12.104 1.00 0.00 C ATOM 399 CG PHE A 24 -4.526 6.211 -12.302 1.00 0.00 C ATOM 400 CD1 PHE A 24 -4.841 4.978 -12.839 1.00 0.00 C ATOM 401 CD2 PHE A 24 -5.559 7.063 -11.935 1.00 0.00 C ATOM 402 CE1 PHE A 24 -6.156 4.599 -13.011 1.00 0.00 C ATOM 403 CE2 PHE A 24 -6.876 6.691 -12.105 1.00 0.00 C ATOM 404 CZ PHE A 24 -7.176 5.459 -12.643 1.00 0.00 C ATOM 0 H PHE A 24 -0.897 7.666 -12.060 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.190 6.083 -13.986 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.565 5.806 -11.611 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.067 7.475 -11.429 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.049 4.303 -13.127 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.328 8.029 -11.511 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.389 3.632 -13.432 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.670 7.364 -11.817 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.206 5.164 -12.778 1.00 0.00 H new ATOM 414 N ASP A 25 -3.162 9.224 -13.834 1.00 0.00 N ATOM 415 CA ASP A 25 -3.894 10.265 -14.552 1.00 0.00 C ATOM 416 C ASP A 25 -3.297 10.493 -15.936 1.00 0.00 C ATOM 417 O ASP A 25 -4.014 10.782 -16.895 1.00 0.00 O ATOM 418 CB ASP A 25 -3.887 11.571 -13.753 1.00 0.00 C ATOM 419 CG ASP A 25 -4.586 12.711 -14.471 1.00 0.00 C ATOM 420 OD1 ASP A 25 -5.835 12.756 -14.455 1.00 0.00 O ATOM 421 OD2 ASP A 25 -3.887 13.583 -15.028 1.00 0.00 O1- ATOM 0 H ASP A 25 -2.653 9.557 -13.016 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.925 9.932 -14.673 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.371 11.404 -12.791 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.856 11.858 -13.546 1.00 0.00 H new ATOM 426 N LYS A 26 -1.981 10.347 -16.035 1.00 0.00 N ATOM 427 CA LYS A 26 -1.281 10.517 -17.294 1.00 0.00 C ATOM 428 C LYS A 26 -1.436 9.267 -18.174 1.00 0.00 C ATOM 429 O LYS A 26 -1.245 9.319 -19.389 1.00 0.00 O ATOM 430 CB LYS A 26 0.202 10.783 -17.017 1.00 0.00 C ATOM 431 CG LYS A 26 1.036 10.972 -18.265 1.00 0.00 C ATOM 432 CD LYS A 26 2.512 11.103 -17.933 1.00 0.00 C ATOM 433 CE LYS A 26 3.346 11.263 -19.192 1.00 0.00 C ATOM 434 NZ LYS A 26 4.792 11.371 -18.888 1.00 0.00 N ATOM 0 H LYS A 26 -1.376 10.109 -15.249 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.712 11.365 -17.827 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.291 11.673 -16.395 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.609 9.951 -16.443 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.886 10.126 -18.935 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.701 11.863 -18.796 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.666 11.962 -17.280 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.843 10.222 -17.384 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.176 10.411 -19.850 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.021 12.153 -19.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.326 11.479 -19.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.958 12.199 -18.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.108 10.511 -18.396 1.00 0.00 H new ATOM 448 N GLY A 27 -1.808 8.159 -17.551 1.00 0.00 N ATOM 449 CA GLY A 27 -1.968 6.918 -18.279 1.00 0.00 C ATOM 450 C GLY A 27 -0.638 6.353 -18.746 1.00 0.00 C ATOM 451 O GLY A 27 -0.573 5.640 -19.752 1.00 0.00 O ATOM 0 H GLY A 27 -2.002 8.097 -16.552 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.468 6.187 -17.643 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.613 7.085 -19.142 1.00 0.00 H new ATOM 455 N ASP A 28 0.423 6.670 -18.021 1.00 0.00 N ATOM 456 CA ASP A 28 1.762 6.209 -18.378 1.00 0.00 C ATOM 457 C ASP A 28 2.020 4.823 -17.801 1.00 0.00 C ATOM 458 O ASP A 28 2.432 4.680 -16.652 1.00 0.00 O ATOM 459 CB ASP A 28 2.827 7.199 -17.899 1.00 0.00 C ATOM 460 CG ASP A 28 4.208 6.876 -18.437 1.00 0.00 C ATOM 461 OD1 ASP A 28 4.918 6.055 -17.825 1.00 0.00 O ATOM 462 OD2 ASP A 28 4.590 7.446 -19.473 1.00 0.00 O1- ATOM 0 H ASP A 28 0.386 7.246 -17.180 1.00 0.00 H new ATOM 0 HA ASP A 28 1.822 6.148 -19.465 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.547 8.206 -18.208 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.856 7.197 -16.809 1.00 0.00 H new ATOM 467 N ASP A 29 1.746 3.808 -18.598 1.00 0.00 N ATOM 468 CA ASP A 29 1.890 2.415 -18.172 1.00 0.00 C ATOM 469 C ASP A 29 3.347 2.034 -17.895 1.00 0.00 C ATOM 470 O ASP A 29 3.614 1.146 -17.082 1.00 0.00 O ATOM 471 CB ASP A 29 1.282 1.462 -19.218 1.00 0.00 C ATOM 472 CG ASP A 29 1.944 1.569 -20.582 1.00 0.00 C ATOM 473 OD1 ASP A 29 1.721 2.580 -21.278 1.00 0.00 O ATOM 474 OD2 ASP A 29 2.677 0.637 -20.971 1.00 0.00 O1- ATOM 0 H ASP A 29 1.418 3.917 -19.558 1.00 0.00 H new ATOM 0 HA ASP A 29 1.345 2.315 -17.233 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.368 0.436 -18.859 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.218 1.676 -19.320 1.00 0.00 H new ATOM 479 N ASP A 30 4.282 2.718 -18.549 1.00 0.00 N ATOM 480 CA ASP A 30 5.704 2.399 -18.400 1.00 0.00 C ATOM 481 C ASP A 30 6.188 2.651 -16.972 1.00 0.00 C ATOM 482 O ASP A 30 6.757 1.763 -16.336 1.00 0.00 O ATOM 483 CB ASP A 30 6.532 3.231 -19.388 1.00 0.00 C ATOM 484 CG ASP A 30 8.021 2.959 -19.301 1.00 0.00 C ATOM 485 OD1 ASP A 30 8.476 1.929 -19.856 1.00 0.00 O ATOM 486 OD2 ASP A 30 8.750 3.784 -18.707 1.00 0.00 O1- ATOM 0 H ASP A 30 4.086 3.492 -19.184 1.00 0.00 H new ATOM 0 HA ASP A 30 5.835 1.339 -18.616 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.191 3.024 -20.402 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.352 4.290 -19.201 1.00 0.00 H new ATOM 491 N SER A 31 5.948 3.847 -16.469 1.00 0.00 N ATOM 492 CA SER A 31 6.349 4.196 -15.116 1.00 0.00 C ATOM 493 C SER A 31 5.460 3.544 -14.068 1.00 0.00 C ATOM 494 O SER A 31 5.918 3.217 -12.978 1.00 0.00 O ATOM 495 CB SER A 31 6.398 5.707 -14.914 1.00 0.00 C ATOM 496 OG SER A 31 5.181 6.326 -15.278 1.00 0.00 O ATOM 0 H SER A 31 5.477 4.596 -16.977 1.00 0.00 H new ATOM 0 HA SER A 31 7.357 3.804 -14.983 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.619 5.927 -13.870 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.211 6.127 -15.507 1.00 0.00 H new ATOM 0 HG SER A 31 5.216 6.587 -16.222 1.00 0.00 H new ATOM 502 N LEU A 32 4.194 3.337 -14.413 1.00 0.00 N ATOM 503 CA LEU A 32 3.210 2.833 -13.462 1.00 0.00 C ATOM 504 C LEU A 32 3.631 1.470 -12.910 1.00 0.00 C ATOM 505 O LEU A 32 3.619 1.260 -11.694 1.00 0.00 O ATOM 506 CB LEU A 32 1.834 2.743 -14.154 1.00 0.00 C ATOM 507 CG LEU A 32 0.595 2.743 -13.244 1.00 0.00 C ATOM 508 CD1 LEU A 32 -0.641 3.113 -14.045 1.00 0.00 C ATOM 509 CD2 LEU A 32 0.397 1.386 -12.585 1.00 0.00 C ATOM 0 H LEU A 32 3.824 3.511 -15.347 1.00 0.00 H new ATOM 0 HA LEU A 32 3.144 3.521 -12.619 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.747 3.581 -14.845 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.815 1.832 -14.753 1.00 0.00 H new ATOM 0 HG LEU A 32 0.753 3.484 -12.460 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.513 3.110 -13.391 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.513 4.107 -14.474 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.786 2.388 -14.846 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.487 1.417 -11.948 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.264 0.624 -13.353 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.272 1.144 -11.981 1.00 0.00 H new ATOM 521 N GLU A 33 4.029 0.561 -13.787 1.00 0.00 N ATOM 522 CA GLU A 33 4.488 -0.749 -13.341 1.00 0.00 C ATOM 523 C GLU A 33 5.797 -0.641 -12.561 1.00 0.00 C ATOM 524 O GLU A 33 6.010 -1.360 -11.582 1.00 0.00 O ATOM 525 CB GLU A 33 4.619 -1.724 -14.505 1.00 0.00 C ATOM 526 CG GLU A 33 3.287 -2.063 -15.151 1.00 0.00 C ATOM 527 CD GLU A 33 3.203 -3.509 -15.573 1.00 0.00 C ATOM 528 OE1 GLU A 33 2.984 -4.371 -14.698 1.00 0.00 O ATOM 529 OE2 GLU A 33 3.343 -3.793 -16.772 1.00 0.00 O1- ATOM 0 H GLU A 33 4.045 0.701 -14.797 1.00 0.00 H new ATOM 0 HA GLU A 33 3.730 -1.147 -12.666 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.282 -1.296 -15.257 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.089 -2.642 -14.151 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.481 -1.844 -14.451 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.135 -1.424 -16.021 1.00 0.00 H new ATOM 536 N GLN A 34 6.660 0.271 -12.987 1.00 0.00 N ATOM 537 CA GLN A 34 7.936 0.490 -12.318 1.00 0.00 C ATOM 538 C GLN A 34 7.722 0.978 -10.887 1.00 0.00 C ATOM 539 O GLN A 34 8.434 0.570 -9.966 1.00 0.00 O ATOM 540 CB GLN A 34 8.795 1.482 -13.102 1.00 0.00 C ATOM 541 CG GLN A 34 9.254 0.954 -14.450 1.00 0.00 C ATOM 542 CD GLN A 34 10.065 1.963 -15.235 1.00 0.00 C ATOM 543 OE1 GLN A 34 10.751 2.813 -14.668 1.00 0.00 O ATOM 544 NE2 GLN A 34 9.994 1.875 -16.542 1.00 0.00 N ATOM 0 H GLN A 34 6.500 0.873 -13.795 1.00 0.00 H new ATOM 0 HA GLN A 34 8.464 -0.463 -12.277 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.228 2.400 -13.255 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.670 1.743 -12.506 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.852 0.055 -14.298 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.382 0.662 -15.036 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.414 1.156 -16.974 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.519 2.526 -17.126 1.00 0.00 H new ATOM 553 N VAL A 35 6.732 1.840 -10.703 1.00 0.00 N ATOM 554 CA VAL A 35 6.393 2.344 -9.382 1.00 0.00 C ATOM 555 C VAL A 35 5.816 1.228 -8.518 1.00 0.00 C ATOM 556 O VAL A 35 6.065 1.178 -7.320 1.00 0.00 O ATOM 557 CB VAL A 35 5.407 3.538 -9.454 1.00 0.00 C ATOM 558 CG1 VAL A 35 4.982 3.987 -8.059 1.00 0.00 C ATOM 559 CG2 VAL A 35 6.047 4.691 -10.200 1.00 0.00 C ATOM 0 H VAL A 35 6.148 2.205 -11.455 1.00 0.00 H new ATOM 0 HA VAL A 35 7.313 2.707 -8.925 1.00 0.00 H new ATOM 0 HB VAL A 35 4.515 3.212 -9.989 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.291 4.826 -8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.491 3.161 -7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.861 4.296 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.349 5.527 -10.247 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.952 5.003 -9.679 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.301 4.374 -11.211 1.00 0.00 H new ATOM 569 N LEU A 36 5.064 0.316 -9.137 1.00 0.00 N ATOM 570 CA LEU A 36 4.502 -0.826 -8.412 1.00 0.00 C ATOM 571 C LEU A 36 5.632 -1.663 -7.813 1.00 0.00 C ATOM 572 O LEU A 36 5.510 -2.192 -6.707 1.00 0.00 O ATOM 573 CB LEU A 36 3.634 -1.694 -9.335 1.00 0.00 C ATOM 574 CG LEU A 36 2.385 -1.019 -9.917 1.00 0.00 C ATOM 575 CD1 LEU A 36 1.626 -1.984 -10.814 1.00 0.00 C ATOM 576 CD2 LEU A 36 1.481 -0.503 -8.804 1.00 0.00 C ATOM 0 H LEU A 36 4.831 0.344 -10.130 1.00 0.00 H new ATOM 0 HA LEU A 36 3.867 -0.447 -7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.253 -2.041 -10.162 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.319 -2.577 -8.779 1.00 0.00 H new ATOM 0 HG LEU A 36 2.707 -0.168 -10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.743 -1.488 -11.218 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.270 -2.302 -11.634 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.319 -2.855 -10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.602 -0.028 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.169 -1.335 -8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.025 0.224 -8.201 1.00 0.00 H new ATOM 588 N GLU A 37 6.735 -1.758 -8.549 1.00 0.00 N ATOM 589 CA GLU A 37 7.924 -2.456 -8.079 1.00 0.00 C ATOM 590 C GLU A 37 8.481 -1.749 -6.845 1.00 0.00 C ATOM 591 O GLU A 37 8.838 -2.385 -5.847 1.00 0.00 O ATOM 592 CB GLU A 37 8.983 -2.474 -9.183 1.00 0.00 C ATOM 593 CG GLU A 37 10.313 -3.077 -8.768 1.00 0.00 C ATOM 594 CD GLU A 37 11.396 -2.823 -9.786 1.00 0.00 C ATOM 595 OE1 GLU A 37 12.224 -1.906 -9.570 1.00 0.00 O ATOM 596 OE2 GLU A 37 11.422 -3.510 -10.812 1.00 0.00 O1- ATOM 0 H GLU A 37 6.829 -1.356 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 37 7.659 -3.481 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.594 -3.034 -10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.152 -1.453 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.615 -2.660 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.195 -4.151 -8.626 1.00 0.00 H new ATOM 603 N GLU A 38 8.534 -0.424 -6.925 1.00 0.00 N ATOM 604 CA GLU A 38 9.024 0.404 -5.836 1.00 0.00 C ATOM 605 C GLU A 38 8.112 0.293 -4.621 1.00 0.00 C ATOM 606 O GLU A 38 8.580 0.201 -3.485 1.00 0.00 O ATOM 607 CB GLU A 38 9.132 1.858 -6.297 1.00 0.00 C ATOM 608 CG GLU A 38 10.170 2.077 -7.384 1.00 0.00 C ATOM 609 CD GLU A 38 10.194 3.503 -7.883 1.00 0.00 C ATOM 610 OE1 GLU A 38 10.675 4.388 -7.149 1.00 0.00 O ATOM 611 OE2 GLU A 38 9.734 3.749 -9.015 1.00 0.00 O1- ATOM 0 H GLU A 38 8.238 0.103 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 38 10.014 0.051 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.160 2.187 -6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.378 2.485 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.155 1.814 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.964 1.407 -8.219 1.00 0.00 H new ATOM 618 N ILE A 39 6.810 0.293 -4.869 1.00 0.00 N ATOM 619 CA ILE A 39 5.828 0.140 -3.810 1.00 0.00 C ATOM 620 C ILE A 39 6.013 -1.203 -3.113 1.00 0.00 C ATOM 621 O ILE A 39 5.906 -1.296 -1.895 1.00 0.00 O ATOM 622 CB ILE A 39 4.373 0.257 -4.349 1.00 0.00 C ATOM 623 CG1 ILE A 39 4.140 1.645 -4.953 1.00 0.00 C ATOM 624 CG2 ILE A 39 3.358 -0.016 -3.238 1.00 0.00 C ATOM 625 CD1 ILE A 39 2.779 1.816 -5.596 1.00 0.00 C ATOM 0 H ILE A 39 6.409 0.398 -5.801 1.00 0.00 H new ATOM 0 HA ILE A 39 5.987 0.948 -3.096 1.00 0.00 H new ATOM 0 HB ILE A 39 4.236 -0.493 -5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.258 2.395 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.910 1.839 -5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.348 0.071 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.508 -1.023 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.494 0.708 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.692 2.825 -6.000 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.664 1.091 -6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.001 1.655 -4.849 1.00 0.00 H new ATOM 637 N GLU A 40 6.329 -2.237 -3.896 1.00 0.00 N ATOM 638 CA GLU A 40 6.540 -3.575 -3.350 1.00 0.00 C ATOM 639 C GLU A 40 7.688 -3.572 -2.344 1.00 0.00 C ATOM 640 O GLU A 40 7.605 -4.211 -1.292 1.00 0.00 O ATOM 641 CB GLU A 40 6.806 -4.588 -4.466 1.00 0.00 C ATOM 642 CG GLU A 40 7.141 -5.978 -3.953 1.00 0.00 C ATOM 643 CD GLU A 40 7.321 -6.986 -5.060 1.00 0.00 C ATOM 644 OE1 GLU A 40 6.599 -8.004 -5.059 1.00 0.00 O ATOM 645 OE2 GLU A 40 8.189 -6.772 -5.935 1.00 0.00 O1- ATOM 0 H GLU A 40 6.444 -2.172 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 40 5.629 -3.874 -2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.928 -4.648 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.629 -4.229 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.054 -5.930 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.346 -6.315 -3.287 1.00 0.00 H new ATOM 652 N GLU A 41 8.747 -2.839 -2.668 1.00 0.00 N ATOM 653 CA GLU A 41 9.888 -2.703 -1.778 1.00 0.00 C ATOM 654 C GLU A 41 9.455 -2.109 -0.447 1.00 0.00 C ATOM 655 O GLU A 41 9.878 -2.564 0.617 1.00 0.00 O ATOM 656 CB GLU A 41 10.953 -1.822 -2.421 1.00 0.00 C ATOM 657 CG GLU A 41 11.911 -2.576 -3.316 1.00 0.00 C ATOM 658 CD GLU A 41 12.797 -3.515 -2.530 1.00 0.00 C ATOM 659 OE1 GLU A 41 13.783 -3.036 -1.927 1.00 0.00 O ATOM 660 OE2 GLU A 41 12.518 -4.722 -2.504 1.00 0.00 O1- ATOM 0 H GLU A 41 8.837 -2.328 -3.546 1.00 0.00 H new ATOM 0 HA GLU A 41 10.308 -3.693 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.463 -1.043 -3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.521 -1.323 -1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.346 -3.144 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.530 -1.866 -3.864 1.00 0.00 H new ATOM 667 N LEU A 42 8.600 -1.105 -0.519 1.00 0.00 N ATOM 668 CA LEU A 42 8.072 -0.453 0.666 1.00 0.00 C ATOM 669 C LEU A 42 7.169 -1.410 1.443 1.00 0.00 C ATOM 670 O LEU A 42 7.194 -1.444 2.672 1.00 0.00 O ATOM 671 CB LEU A 42 7.303 0.807 0.276 1.00 0.00 C ATOM 672 CG LEU A 42 8.101 1.861 -0.491 1.00 0.00 C ATOM 673 CD1 LEU A 42 7.199 3.000 -0.933 1.00 0.00 C ATOM 674 CD2 LEU A 42 9.243 2.388 0.362 1.00 0.00 C ATOM 0 H LEU A 42 8.253 -0.720 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 42 8.905 -0.168 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.446 0.514 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.909 1.265 1.183 1.00 0.00 H new ATOM 0 HG LEU A 42 8.521 1.392 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.787 3.739 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.414 2.612 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.748 3.468 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.801 3.137 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.841 2.839 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.907 1.566 0.629 1.00 0.00 H new ATOM 686 N ILE A 43 6.374 -2.185 0.711 1.00 0.00 N ATOM 687 CA ILE A 43 5.477 -3.165 1.315 1.00 0.00 C ATOM 688 C ILE A 43 6.272 -4.201 2.110 1.00 0.00 C ATOM 689 O ILE A 43 5.928 -4.516 3.254 1.00 0.00 O ATOM 690 CB ILE A 43 4.617 -3.881 0.240 1.00 0.00 C ATOM 691 CG1 ILE A 43 3.728 -2.865 -0.485 1.00 0.00 C ATOM 692 CG2 ILE A 43 3.770 -4.986 0.871 1.00 0.00 C ATOM 693 CD1 ILE A 43 2.935 -3.443 -1.642 1.00 0.00 C ATOM 0 H ILE A 43 6.333 -2.153 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 43 4.810 -2.628 1.989 1.00 0.00 H new ATOM 0 HB ILE A 43 5.284 -4.343 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.034 -2.429 0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.353 -2.054 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.175 -5.474 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.423 -5.719 1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.107 -4.553 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.333 -2.657 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.620 -3.853 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.281 -4.234 -1.276 1.00 0.00 H new ATOM 705 N GLN A 44 7.345 -4.709 1.509 1.00 0.00 N ATOM 706 CA GLN A 44 8.201 -5.685 2.174 1.00 0.00 C ATOM 707 C GLN A 44 8.853 -5.066 3.401 1.00 0.00 C ATOM 708 O GLN A 44 8.946 -5.699 4.452 1.00 0.00 O ATOM 709 CB GLN A 44 9.281 -6.207 1.224 1.00 0.00 C ATOM 710 CG GLN A 44 8.741 -6.934 0.004 1.00 0.00 C ATOM 711 CD GLN A 44 9.844 -7.525 -0.852 1.00 0.00 C ATOM 712 OE1 GLN A 44 9.611 -7.610 -2.142 1.00 0.00 O flip ATOM 713 NE2 GLN A 44 10.901 -7.907 -0.346 1.00 0.00 N flip ATOM 0 H GLN A 44 7.641 -4.461 0.565 1.00 0.00 H new ATOM 0 HA GLN A 44 7.576 -6.523 2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.893 -5.368 0.892 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.937 -6.882 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.069 -7.730 0.326 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.150 -6.242 -0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.044 -7.824 0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.633 -8.306 -0.934 1.00 0.00 H new ATOM 722 N LYS A 45 9.281 -3.816 3.260 1.00 0.00 N ATOM 723 CA LYS A 45 9.924 -3.085 4.343 1.00 0.00 C ATOM 724 C LYS A 45 8.968 -2.942 5.526 1.00 0.00 C ATOM 725 O LYS A 45 9.339 -3.193 6.670 1.00 0.00 O ATOM 726 CB LYS A 45 10.347 -1.696 3.845 1.00 0.00 C ATOM 727 CG LYS A 45 11.097 -0.857 4.868 1.00 0.00 C ATOM 728 CD LYS A 45 11.322 0.562 4.359 1.00 0.00 C ATOM 729 CE LYS A 45 12.194 1.369 5.308 1.00 0.00 C ATOM 730 NZ LYS A 45 13.569 0.820 5.398 1.00 0.00 N ATOM 0 H LYS A 45 9.192 -3.284 2.395 1.00 0.00 H new ATOM 0 HA LYS A 45 10.805 -3.637 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.976 -1.817 2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.457 -1.151 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.534 -0.827 5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.057 -1.323 5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.791 0.526 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.361 1.061 4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.238 2.404 4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.741 1.377 6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.195 1.523 5.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.560 -0.046 5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.917 0.598 4.444 1.00 0.00 H new ATOM 744 N HIS A 46 7.732 -2.571 5.231 1.00 0.00 N ATOM 745 CA HIS A 46 6.722 -2.388 6.263 1.00 0.00 C ATOM 746 C HIS A 46 6.383 -3.719 6.926 1.00 0.00 C ATOM 747 O HIS A 46 6.270 -3.805 8.151 1.00 0.00 O ATOM 748 CB HIS A 46 5.456 -1.760 5.665 1.00 0.00 C ATOM 749 CG HIS A 46 4.426 -1.382 6.688 1.00 0.00 C ATOM 750 ND1 HIS A 46 3.274 -2.099 6.921 1.00 0.00 N ATOM 751 CD2 HIS A 46 4.396 -0.335 7.548 1.00 0.00 C ATOM 752 CE1 HIS A 46 2.597 -1.479 7.895 1.00 0.00 C ATOM 753 NE2 HIS A 46 3.234 -0.404 8.310 1.00 0.00 N ATOM 0 H HIS A 46 7.403 -2.390 4.283 1.00 0.00 H new ATOM 0 HA HIS A 46 7.125 -1.716 7.020 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.735 -0.871 5.099 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.012 -2.462 4.959 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.988 -2.950 6.438 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.153 0.431 7.629 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.650 -1.817 8.290 1.00 0.00 H new ATOM 761 N ARG A 47 6.232 -4.755 6.110 1.00 0.00 N ATOM 762 CA ARG A 47 5.896 -6.079 6.607 1.00 0.00 C ATOM 763 C ARG A 47 6.989 -6.605 7.529 1.00 0.00 C ATOM 764 O ARG A 47 6.705 -7.140 8.594 1.00 0.00 O ATOM 765 CB ARG A 47 5.707 -7.046 5.438 1.00 0.00 C ATOM 766 CG ARG A 47 5.343 -8.464 5.855 1.00 0.00 C ATOM 767 CD ARG A 47 5.504 -9.431 4.697 1.00 0.00 C ATOM 768 NE ARG A 47 6.898 -9.497 4.241 1.00 0.00 N ATOM 769 CZ ARG A 47 7.270 -9.746 2.987 1.00 0.00 C ATOM 770 NH1 ARG A 47 6.361 -9.967 2.052 1.00 0.00 N ATOM 771 NH2 ARG A 47 8.558 -9.777 2.676 1.00 0.00 N ATOM 0 H ARG A 47 6.338 -4.701 5.097 1.00 0.00 H new ATOM 0 HA ARG A 47 4.967 -6.004 7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.925 -6.660 4.784 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.626 -7.076 4.853 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.977 -8.777 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.314 -8.488 6.213 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.172 -10.424 5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.864 -9.121 3.871 1.00 0.00 H new ATOM 0 HE ARG A 47 7.632 -9.341 4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.369 -9.947 2.290 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.652 -10.157 1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.261 -9.610 3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.846 -9.967 1.716 1.00 0.00 H new ATOM 785 N GLN A 48 8.234 -6.426 7.121 1.00 0.00 N ATOM 786 CA GLN A 48 9.362 -6.908 7.894 1.00 0.00 C ATOM 787 C GLN A 48 9.535 -6.122 9.188 1.00 0.00 C ATOM 788 O GLN A 48 9.783 -6.706 10.236 1.00 0.00 O ATOM 789 CB GLN A 48 10.641 -6.884 7.060 1.00 0.00 C ATOM 790 CG GLN A 48 11.255 -8.262 6.869 1.00 0.00 C ATOM 791 CD GLN A 48 10.293 -9.260 6.240 1.00 0.00 C ATOM 792 OE1 GLN A 48 9.437 -8.901 5.424 1.00 0.00 O ATOM 793 NE2 GLN A 48 10.412 -10.511 6.629 1.00 0.00 N ATOM 0 H GLN A 48 8.488 -5.949 6.256 1.00 0.00 H new ATOM 0 HA GLN A 48 9.155 -7.942 8.169 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.423 -6.452 6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.370 -6.232 7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.141 -8.175 6.241 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.585 -8.644 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.131 -10.769 7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.785 -11.223 6.255 1.00 0.00 H new ATOM 802 N LEU A 49 9.387 -4.804 9.116 1.00 0.00 N ATOM 803 CA LEU A 49 9.510 -3.962 10.303 1.00 0.00 C ATOM 804 C LEU A 49 8.437 -4.307 11.329 1.00 0.00 C ATOM 805 O LEU A 49 8.717 -4.413 12.528 1.00 0.00 O ATOM 806 CB LEU A 49 9.426 -2.477 9.934 1.00 0.00 C ATOM 807 CG LEU A 49 10.603 -1.921 9.128 1.00 0.00 C ATOM 808 CD1 LEU A 49 10.344 -0.475 8.742 1.00 0.00 C ATOM 809 CD2 LEU A 49 11.899 -2.037 9.920 1.00 0.00 C ATOM 0 H LEU A 49 9.183 -4.297 8.255 1.00 0.00 H new ATOM 0 HA LEU A 49 10.488 -4.155 10.744 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.511 -2.315 9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.335 -1.899 10.853 1.00 0.00 H new ATOM 0 HG LEU A 49 10.705 -2.511 8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.190 -0.094 8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.440 -0.417 8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.216 0.125 9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.723 -1.636 9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.810 -1.473 10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.093 -3.085 10.149 1.00 0.00 H new ATOM 821 N PHE A 50 7.213 -4.497 10.856 1.00 0.00 N ATOM 822 CA PHE A 50 6.107 -4.839 11.733 1.00 0.00 C ATOM 823 C PHE A 50 6.268 -6.255 12.284 1.00 0.00 C ATOM 824 O PHE A 50 5.999 -6.510 13.460 1.00 0.00 O ATOM 825 CB PHE A 50 4.769 -4.695 10.997 1.00 0.00 C ATOM 826 CG PHE A 50 3.567 -4.964 11.864 1.00 0.00 C ATOM 827 CD1 PHE A 50 3.220 -4.088 12.881 1.00 0.00 C ATOM 828 CD2 PHE A 50 2.784 -6.090 11.660 1.00 0.00 C ATOM 829 CE1 PHE A 50 2.118 -4.330 13.678 1.00 0.00 C ATOM 830 CE2 PHE A 50 1.680 -6.337 12.453 1.00 0.00 C ATOM 831 CZ PHE A 50 1.347 -5.456 13.464 1.00 0.00 C ATOM 0 H PHE A 50 6.963 -4.420 9.870 1.00 0.00 H new ATOM 0 HA PHE A 50 6.113 -4.145 12.573 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.695 -3.686 10.592 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.755 -5.381 10.150 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.819 -3.206 13.052 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.040 -6.782 10.872 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.860 -3.640 14.467 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.078 -7.217 12.283 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.485 -5.647 14.086 1.00 0.00 H new ATOM 841 N ASP A 51 6.725 -7.170 11.436 1.00 0.00 N ATOM 842 CA ASP A 51 6.922 -8.556 11.849 1.00 0.00 C ATOM 843 C ASP A 51 8.080 -8.674 12.830 1.00 0.00 C ATOM 844 O ASP A 51 8.049 -9.498 13.749 1.00 0.00 O ATOM 845 CB ASP A 51 7.152 -9.471 10.646 1.00 0.00 C ATOM 846 CG ASP A 51 7.364 -10.917 11.054 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.435 -11.521 11.624 1.00 0.00 O ATOM 848 OD2 ASP A 51 8.463 -11.456 10.803 1.00 0.00 O1- ATOM 0 H ASP A 51 6.965 -6.979 10.463 1.00 0.00 H new ATOM 0 HA ASP A 51 6.009 -8.878 12.350 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.296 -9.407 9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.021 -9.122 10.088 1.00 0.00 H new ATOM 853 N ASN A 52 9.093 -7.838 12.643 1.00 0.00 N ATOM 854 CA ASN A 52 10.257 -7.815 13.528 1.00 0.00 C ATOM 855 C ASN A 52 9.837 -7.470 14.952 1.00 0.00 C ATOM 856 O ASN A 52 10.406 -7.974 15.921 1.00 0.00 O ATOM 857 CB ASN A 52 11.290 -6.801 13.028 1.00 0.00 C ATOM 858 CG ASN A 52 12.535 -6.754 13.893 1.00 0.00 C ATOM 859 OD1 ASN A 52 12.609 -5.995 14.861 1.00 0.00 O ATOM 860 ND2 ASN A 52 13.518 -7.555 13.552 1.00 0.00 N ATOM 0 H ASN A 52 9.134 -7.161 11.881 1.00 0.00 H new ATOM 0 HA ASN A 52 10.708 -8.807 13.525 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.573 -7.052 12.006 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.836 -5.811 12.999 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.381 -7.563 14.096 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.419 -8.169 12.744 1.00 0.00 H new ATOM 867 N ARG A 53 8.820 -6.616 15.064 1.00 0.00 N ATOM 868 CA ARG A 53 8.285 -6.211 16.361 1.00 0.00 C ATOM 869 C ARG A 53 7.650 -7.404 17.081 1.00 0.00 C ATOM 870 O ARG A 53 7.554 -7.415 18.309 1.00 0.00 O ATOM 871 CB ARG A 53 7.239 -5.099 16.192 1.00 0.00 C ATOM 872 CG ARG A 53 6.664 -4.602 17.511 1.00 0.00 C ATOM 873 CD ARG A 53 5.404 -3.779 17.313 1.00 0.00 C ATOM 874 NE ARG A 53 4.809 -3.394 18.598 1.00 0.00 N ATOM 875 CZ ARG A 53 3.749 -3.990 19.154 1.00 0.00 C ATOM 876 NH1 ARG A 53 3.128 -4.972 18.517 1.00 0.00 N ATOM 877 NH2 ARG A 53 3.309 -3.592 20.342 1.00 0.00 N ATOM 0 H ARG A 53 8.349 -6.190 14.266 1.00 0.00 H new ATOM 0 HA ARG A 53 9.113 -5.833 16.961 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.693 -4.261 15.664 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.426 -5.467 15.566 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.442 -5.455 18.153 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.412 -4.000 18.028 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.639 -2.884 16.736 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.681 -4.352 16.732 1.00 0.00 H new ATOM 0 HE ARG A 53 5.234 -2.616 19.103 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.458 -5.275 17.601 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.320 -5.425 18.943 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.780 -2.831 20.831 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.500 -4.047 20.765 1.00 0.00 H new ATOM 891 N GLN A 54 7.216 -8.393 16.292 1.00 0.00 N ATOM 892 CA GLN A 54 6.546 -9.593 16.800 1.00 0.00 C ATOM 893 C GLN A 54 5.143 -9.258 17.295 1.00 0.00 C ATOM 894 O GLN A 54 4.967 -8.720 18.392 1.00 0.00 O ATOM 895 CB GLN A 54 7.361 -10.276 17.907 1.00 0.00 C ATOM 896 CG GLN A 54 6.725 -11.547 18.439 1.00 0.00 C ATOM 897 CD GLN A 54 7.471 -12.123 19.620 1.00 0.00 C ATOM 898 OE1 GLN A 54 8.688 -11.965 19.742 1.00 0.00 O ATOM 899 NE2 GLN A 54 6.755 -12.801 20.490 1.00 0.00 N ATOM 0 H GLN A 54 7.321 -8.382 15.277 1.00 0.00 H new ATOM 0 HA GLN A 54 6.465 -10.297 15.971 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.354 -10.511 17.523 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.496 -9.576 18.731 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.696 -11.338 18.731 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.686 -12.290 17.642 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.750 -12.908 20.351 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.204 -13.220 21.304 1.00 0.00 H new ATOM 908 N GLU A 55 4.151 -9.558 16.473 1.00 0.00 N ATOM 909 CA GLU A 55 2.765 -9.280 16.821 1.00 0.00 C ATOM 910 C GLU A 55 1.811 -10.064 15.926 1.00 0.00 C ATOM 911 O GLU A 55 0.703 -10.412 16.335 1.00 0.00 O ATOM 912 CB GLU A 55 2.473 -7.783 16.686 1.00 0.00 C ATOM 913 CG GLU A 55 1.127 -7.368 17.256 1.00 0.00 C ATOM 914 CD GLU A 55 1.086 -7.459 18.767 1.00 0.00 C ATOM 915 OE1 GLU A 55 1.059 -6.399 19.424 1.00 0.00 O ATOM 916 OE2 GLU A 55 1.093 -8.581 19.308 1.00 0.00 O1- ATOM 0 H GLU A 55 4.278 -9.994 15.560 1.00 0.00 H new ATOM 0 HA GLU A 55 2.611 -9.588 17.855 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.260 -7.222 17.190 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.511 -7.508 15.632 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.906 -6.345 16.950 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.347 -8.002 16.835 1.00 0.00 H new ATOM 923 N ALA A 56 2.237 -10.334 14.705 1.00 0.00 N ATOM 924 CA ALA A 56 1.392 -11.037 13.755 1.00 0.00 C ATOM 925 C ALA A 56 1.941 -12.419 13.430 1.00 0.00 C ATOM 926 O ALA A 56 1.179 -13.344 13.143 1.00 0.00 O ATOM 927 CB ALA A 56 1.243 -10.213 12.484 1.00 0.00 C ATOM 0 H ALA A 56 3.158 -10.079 14.349 1.00 0.00 H new ATOM 0 HA ALA A 56 0.412 -11.173 14.213 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.608 -10.747 11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.789 -9.252 12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.225 -10.050 12.039 1.00 0.00 H new ATOM 933 N ALA A 57 3.263 -12.549 13.499 1.00 0.00 N ATOM 934 CA ALA A 57 3.969 -13.784 13.149 1.00 0.00 C ATOM 935 C ALA A 57 3.918 -14.028 11.638 1.00 0.00 C ATOM 936 O ALA A 57 3.257 -13.288 10.904 1.00 0.00 O ATOM 937 CB ALA A 57 3.434 -14.982 13.932 1.00 0.00 C ATOM 0 H ALA A 57 3.882 -11.796 13.801 1.00 0.00 H new ATOM 0 HA ALA A 57 5.014 -13.663 13.433 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.983 -15.879 13.645 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.562 -14.805 15.000 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.375 -15.118 13.711 1.00 0.00 H new ATOM 943 N ASP A 58 4.592 -15.069 11.184 1.00 0.00 N ATOM 944 CA ASP A 58 4.713 -15.348 9.749 1.00 0.00 C ATOM 945 C ASP A 58 3.369 -15.606 9.070 1.00 0.00 C ATOM 946 O ASP A 58 3.112 -15.082 7.985 1.00 0.00 O ATOM 947 CB ASP A 58 5.643 -16.537 9.508 1.00 0.00 C ATOM 948 CG ASP A 58 5.786 -16.868 8.034 1.00 0.00 C ATOM 949 OD1 ASP A 58 6.538 -16.157 7.332 1.00 0.00 O ATOM 950 OD2 ASP A 58 5.154 -17.838 7.570 1.00 0.00 O1- ATOM 0 H ASP A 58 5.069 -15.742 11.784 1.00 0.00 H new ATOM 0 HA ASP A 58 5.134 -14.448 9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.626 -16.317 9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.259 -17.409 10.038 1.00 0.00 H new ATOM 955 N THR A 59 2.507 -16.383 9.712 1.00 0.00 N ATOM 956 CA THR A 59 1.237 -16.753 9.101 1.00 0.00 C ATOM 957 C THR A 59 0.314 -15.537 8.886 1.00 0.00 C ATOM 958 O THR A 59 -0.265 -15.376 7.808 1.00 0.00 O ATOM 959 CB THR A 59 0.512 -17.819 9.952 1.00 0.00 C ATOM 960 OG1 THR A 59 1.372 -18.957 10.123 1.00 0.00 O ATOM 961 CG2 THR A 59 -0.785 -18.261 9.289 1.00 0.00 C ATOM 0 H THR A 59 2.661 -16.766 10.645 1.00 0.00 H new ATOM 0 HA THR A 59 1.469 -17.169 8.121 1.00 0.00 H new ATOM 0 HB THR A 59 0.271 -17.381 10.921 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.915 -19.634 10.664 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.274 -19.012 9.910 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.445 -17.401 9.172 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.566 -18.687 8.310 1.00 0.00 H new ATOM 969 N GLU A 60 0.204 -14.677 9.889 1.00 0.00 N ATOM 970 CA GLU A 60 -0.655 -13.502 9.779 1.00 0.00 C ATOM 971 C GLU A 60 -0.017 -12.431 8.892 1.00 0.00 C ATOM 972 O GLU A 60 -0.704 -11.764 8.123 1.00 0.00 O ATOM 973 CB GLU A 60 -0.985 -12.935 11.160 1.00 0.00 C ATOM 974 CG GLU A 60 -1.977 -11.778 11.144 1.00 0.00 C ATOM 975 CD GLU A 60 -3.367 -12.199 10.702 1.00 0.00 C ATOM 976 OE1 GLU A 60 -4.113 -12.754 11.536 1.00 0.00 O ATOM 977 OE2 GLU A 60 -3.725 -11.956 9.539 1.00 0.00 O1- ATOM 0 H GLU A 60 0.692 -14.767 10.780 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.587 -13.816 9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.388 -13.735 11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.062 -12.600 11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.035 -11.341 12.141 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.609 -10.999 10.476 1.00 0.00 H new ATOM 984 N ALA A 61 1.304 -12.287 8.983 1.00 0.00 N ATOM 985 CA ALA A 61 2.014 -11.283 8.193 1.00 0.00 C ATOM 986 C ALA A 61 1.867 -11.563 6.705 1.00 0.00 C ATOM 987 O ALA A 61 1.630 -10.649 5.911 1.00 0.00 O ATOM 988 CB ALA A 61 3.484 -11.230 8.583 1.00 0.00 C ATOM 0 H ALA A 61 1.900 -12.848 9.591 1.00 0.00 H new ATOM 0 HA ALA A 61 1.568 -10.311 8.404 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.993 -10.476 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.571 -10.973 9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.942 -12.203 8.408 1.00 0.00 H new ATOM 994 N ALA A 62 1.990 -12.829 6.335 1.00 0.00 N ATOM 995 CA ALA A 62 1.836 -13.237 4.948 1.00 0.00 C ATOM 996 C ALA A 62 0.399 -13.032 4.489 1.00 0.00 C ATOM 997 O ALA A 62 0.148 -12.646 3.347 1.00 0.00 O ATOM 998 CB ALA A 62 2.244 -14.690 4.773 1.00 0.00 C ATOM 0 H ALA A 62 2.197 -13.593 6.979 1.00 0.00 H new ATOM 0 HA ALA A 62 2.488 -12.617 4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.122 -14.979 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.287 -14.813 5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.615 -15.322 5.400 1.00 0.00 H new ATOM 1004 N LYS A 63 -0.536 -13.282 5.397 1.00 0.00 N ATOM 1005 CA LYS A 63 -1.957 -13.145 5.109 1.00 0.00 C ATOM 1006 C LYS A 63 -2.323 -11.681 4.870 1.00 0.00 C ATOM 1007 O LYS A 63 -3.040 -11.352 3.920 1.00 0.00 O ATOM 1008 CB LYS A 63 -2.765 -13.695 6.284 1.00 0.00 C ATOM 1009 CG LYS A 63 -4.252 -13.796 6.029 1.00 0.00 C ATOM 1010 CD LYS A 63 -4.978 -14.332 7.249 1.00 0.00 C ATOM 1011 CE LYS A 63 -6.421 -14.668 6.932 1.00 0.00 C ATOM 1012 NZ LYS A 63 -6.526 -15.755 5.926 1.00 0.00 N ATOM 0 H LYS A 63 -0.331 -13.584 6.350 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.189 -13.708 4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.385 -14.684 6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.600 -13.057 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.647 -12.814 5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.435 -14.450 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.468 -15.223 7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.943 -13.593 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.934 -14.968 7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.928 -13.778 6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.465 -16.198 5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.394 -15.360 4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.793 -16.469 6.109 1.00 0.00 H new ATOM 1026 N GLN A 64 -1.808 -10.807 5.722 1.00 0.00 N ATOM 1027 CA GLN A 64 -2.063 -9.378 5.607 1.00 0.00 C ATOM 1028 C GLN A 64 -1.378 -8.811 4.372 1.00 0.00 C ATOM 1029 O GLN A 64 -1.942 -7.974 3.665 1.00 0.00 O ATOM 1030 CB GLN A 64 -1.582 -8.645 6.863 1.00 0.00 C ATOM 1031 CG GLN A 64 -2.339 -9.031 8.128 1.00 0.00 C ATOM 1032 CD GLN A 64 -1.782 -8.376 9.384 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -0.481 -8.135 9.406 1.00 0.00 O flip ATOM 1034 NE2 GLN A 64 -2.517 -8.100 10.331 1.00 0.00 N flip ATOM 0 H GLN A 64 -1.207 -11.064 6.505 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.138 -9.229 5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.521 -8.850 7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.680 -7.571 6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.387 -8.753 8.015 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.307 -10.114 8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.516 -8.301 10.277 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.128 -7.670 11.170 1.00 0.00 H new ATOM 1043 N GLY A 65 -0.164 -9.281 4.115 1.00 0.00 N ATOM 1044 CA GLY A 65 0.578 -8.823 2.964 1.00 0.00 C ATOM 1045 C GLY A 65 -0.085 -9.220 1.665 1.00 0.00 C ATOM 1046 O GLY A 65 -0.144 -8.432 0.726 1.00 0.00 O ATOM 0 H GLY A 65 0.319 -9.974 4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.675 -7.738 3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.587 -9.235 2.996 1.00 0.00 H new ATOM 1050 N ASP A 66 -0.609 -10.439 1.619 1.00 0.00 N ATOM 1051 CA ASP A 66 -1.266 -10.950 0.416 1.00 0.00 C ATOM 1052 C ASP A 66 -2.481 -10.109 0.048 1.00 0.00 C ATOM 1053 O ASP A 66 -2.699 -9.798 -1.126 1.00 0.00 O ATOM 1054 CB ASP A 66 -1.687 -12.402 0.612 1.00 0.00 C ATOM 1055 CG ASP A 66 -2.420 -12.955 -0.590 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -1.748 -13.413 -1.541 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -3.666 -12.939 -0.586 1.00 0.00 O1- ATOM 0 H ASP A 66 -0.593 -11.095 2.400 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.546 -10.891 -0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.804 -13.011 0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.327 -12.477 1.491 1.00 0.00 H new ATOM 1062 N GLN A 67 -3.256 -9.727 1.053 1.00 0.00 N ATOM 1063 CA GLN A 67 -4.443 -8.907 0.841 1.00 0.00 C ATOM 1064 C GLN A 67 -4.064 -7.532 0.320 1.00 0.00 C ATOM 1065 O GLN A 67 -4.735 -6.974 -0.551 1.00 0.00 O ATOM 1066 CB GLN A 67 -5.241 -8.775 2.139 1.00 0.00 C ATOM 1067 CG GLN A 67 -6.012 -10.028 2.510 1.00 0.00 C ATOM 1068 CD GLN A 67 -7.141 -10.317 1.538 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -7.728 -9.405 0.964 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -7.443 -11.578 1.341 1.00 0.00 N ATOM 0 H GLN A 67 -3.084 -9.973 2.028 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.065 -9.400 0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.558 -8.525 2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.940 -7.944 2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.330 -10.878 2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.420 -9.917 3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.932 -12.308 1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.189 -11.828 0.692 1.00 0.00 H new ATOM 1079 N TRP A 68 -2.985 -6.999 0.848 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.503 -5.705 0.465 1.00 0.00 C ATOM 1081 C TRP A 68 -1.962 -5.720 -0.974 1.00 0.00 C ATOM 1082 O TRP A 68 -2.266 -4.834 -1.770 1.00 0.00 O ATOM 1083 CB TRP A 68 -1.435 -5.269 1.459 1.00 0.00 C ATOM 1084 CG TRP A 68 -0.883 -3.916 1.209 1.00 0.00 C ATOM 1085 CD1 TRP A 68 0.382 -3.626 0.850 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -1.578 -2.672 1.301 1.00 0.00 C ATOM 1087 NE1 TRP A 68 0.538 -2.269 0.715 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -0.657 -1.661 0.985 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -2.889 -2.314 1.620 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -1.000 -0.318 0.979 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -3.229 -0.978 1.612 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -2.289 0.004 1.293 1.00 0.00 C ATOM 0 H TRP A 68 -2.418 -7.460 1.560 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.324 -4.988 0.483 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.858 -5.296 2.463 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.619 -5.991 1.437 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.162 -4.356 0.691 1.00 0.00 H new ATOM 0 HE1 TRP A 68 1.402 -1.793 0.456 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.622 -3.068 1.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.275 0.445 0.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.240 -0.686 1.857 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -2.588 1.042 1.295 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.181 -6.744 -1.303 1.00 0.00 N ATOM 1104 CA VAL A 69 -0.583 -6.862 -2.633 1.00 0.00 C ATOM 1105 C VAL A 69 -1.640 -7.109 -3.718 1.00 0.00 C ATOM 1106 O VAL A 69 -1.568 -6.527 -4.805 1.00 0.00 O ATOM 1107 CB VAL A 69 0.494 -7.980 -2.682 1.00 0.00 C ATOM 1108 CG1 VAL A 69 1.041 -8.152 -4.095 1.00 0.00 C ATOM 1109 CG2 VAL A 69 1.626 -7.665 -1.718 1.00 0.00 C ATOM 0 H VAL A 69 -0.946 -7.506 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.100 -5.906 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 69 0.023 -8.916 -2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.793 -8.941 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.228 -8.421 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.493 -7.217 -4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.373 -8.457 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.086 -6.716 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.232 -7.595 -0.704 1.00 0.00 H new ATOM 1119 N GLN A 70 -2.632 -7.950 -3.418 1.00 0.00 N ATOM 1120 CA GLN A 70 -3.679 -8.263 -4.396 1.00 0.00 C ATOM 1121 C GLN A 70 -4.487 -7.022 -4.772 1.00 0.00 C ATOM 1122 O GLN A 70 -5.030 -6.942 -5.870 1.00 0.00 O ATOM 1123 CB GLN A 70 -4.594 -9.408 -3.936 1.00 0.00 C ATOM 1124 CG GLN A 70 -5.419 -9.115 -2.703 1.00 0.00 C ATOM 1125 CD GLN A 70 -6.325 -10.271 -2.335 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -7.477 -10.339 -2.768 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -5.810 -11.198 -1.555 1.00 0.00 N ATOM 0 H GLN A 70 -2.733 -8.421 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.168 -8.612 -5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.269 -9.664 -4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.980 -10.288 -3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.755 -8.895 -1.867 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.022 -8.223 -2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.852 -11.106 -1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.369 -12.009 -1.289 1.00 0.00 H new ATOM 1136 N LEU A 71 -4.560 -6.056 -3.856 1.00 0.00 N ATOM 1137 CA LEU A 71 -5.259 -4.810 -4.109 1.00 0.00 C ATOM 1138 C LEU A 71 -4.612 -4.102 -5.309 1.00 0.00 C ATOM 1139 O LEU A 71 -5.303 -3.615 -6.205 1.00 0.00 O ATOM 1140 CB LEU A 71 -5.182 -3.925 -2.849 1.00 0.00 C ATOM 1141 CG LEU A 71 -6.249 -2.837 -2.705 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -6.262 -2.296 -1.283 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -6.025 -1.699 -3.693 1.00 0.00 C ATOM 0 H LEU A 71 -4.139 -6.120 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.306 -5.004 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.237 -4.573 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.203 -3.446 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.215 -3.290 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.025 -1.523 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.483 -3.106 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.286 -1.871 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.801 -0.945 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.048 -1.249 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.065 -2.088 -4.711 1.00 0.00 H new ATOM 1155 N PHE A 72 -3.283 -4.080 -5.330 1.00 0.00 N ATOM 1156 CA PHE A 72 -2.545 -3.474 -6.434 1.00 0.00 C ATOM 1157 C PHE A 72 -2.696 -4.312 -7.693 1.00 0.00 C ATOM 1158 O PHE A 72 -2.739 -3.784 -8.808 1.00 0.00 O ATOM 1159 CB PHE A 72 -1.067 -3.316 -6.079 1.00 0.00 C ATOM 1160 CG PHE A 72 -0.834 -2.402 -4.917 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -0.564 -2.914 -3.662 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -0.895 -1.030 -5.078 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -0.359 -2.076 -2.588 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -0.691 -0.186 -4.009 1.00 0.00 C ATOM 1165 CZ PHE A 72 -0.422 -0.710 -2.761 1.00 0.00 C ATOM 0 H PHE A 72 -2.695 -4.474 -4.596 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.961 -2.483 -6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.648 -4.296 -5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.530 -2.933 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.513 -3.984 -3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.105 -0.616 -6.053 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.149 -2.489 -1.612 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.741 0.884 -4.147 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.261 -0.051 -1.921 1.00 0.00 H new ATOM 1175 N GLN A 73 -2.775 -5.622 -7.507 1.00 0.00 N ATOM 1176 CA GLN A 73 -2.969 -6.547 -8.610 1.00 0.00 C ATOM 1177 C GLN A 73 -4.292 -6.229 -9.308 1.00 0.00 C ATOM 1178 O GLN A 73 -4.353 -6.139 -10.534 1.00 0.00 O ATOM 1179 CB GLN A 73 -2.948 -7.997 -8.078 1.00 0.00 C ATOM 1180 CG GLN A 73 -2.854 -9.096 -9.141 1.00 0.00 C ATOM 1181 CD GLN A 73 -4.165 -9.368 -9.856 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -5.246 -9.169 -9.301 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -4.079 -9.849 -11.078 1.00 0.00 N ATOM 0 H GLN A 73 -2.707 -6.069 -6.593 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.163 -6.442 -9.336 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.103 -8.102 -7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.852 -8.162 -7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.101 -8.814 -9.877 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.510 -10.017 -8.670 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.164 -10.000 -11.503 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.927 -10.071 -11.600 1.00 0.00 H new ATOM 1192 N ARG A 74 -5.338 -6.017 -8.507 1.00 0.00 N ATOM 1193 CA ARG A 74 -6.656 -5.671 -9.031 1.00 0.00 C ATOM 1194 C ARG A 74 -6.613 -4.323 -9.734 1.00 0.00 C ATOM 1195 O ARG A 74 -7.270 -4.124 -10.752 1.00 0.00 O ATOM 1196 CB ARG A 74 -7.698 -5.625 -7.908 1.00 0.00 C ATOM 1197 CG ARG A 74 -7.921 -6.949 -7.199 1.00 0.00 C ATOM 1198 CD ARG A 74 -8.323 -8.046 -8.168 1.00 0.00 C ATOM 1199 NE ARG A 74 -8.838 -9.222 -7.470 1.00 0.00 N ATOM 1200 CZ ARG A 74 -8.359 -10.459 -7.600 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -7.292 -10.695 -8.357 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -8.935 -11.457 -6.949 1.00 0.00 N ATOM 0 H ARG A 74 -5.295 -6.080 -7.490 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.941 -6.443 -9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.389 -4.882 -7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.647 -5.286 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.009 -7.240 -6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.696 -6.830 -6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.083 -7.667 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.462 -8.330 -8.773 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.624 -9.086 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.832 -9.926 -8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.933 -11.645 -8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.742 -11.278 -6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.572 -12.405 -7.045 1.00 0.00 H new ATOM 1216 N PHE A 75 -5.829 -3.405 -9.181 1.00 0.00 N ATOM 1217 CA PHE A 75 -5.678 -2.070 -9.744 1.00 0.00 C ATOM 1218 C PHE A 75 -5.121 -2.156 -11.164 1.00 0.00 C ATOM 1219 O PHE A 75 -5.641 -1.530 -12.085 1.00 0.00 O ATOM 1220 CB PHE A 75 -4.756 -1.225 -8.846 1.00 0.00 C ATOM 1221 CG PHE A 75 -4.624 0.215 -9.263 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -5.590 1.143 -8.909 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -3.531 0.643 -9.999 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -5.471 2.466 -9.281 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -3.405 1.967 -10.376 1.00 0.00 C ATOM 1226 CZ PHE A 75 -4.377 2.880 -10.015 1.00 0.00 C ATOM 0 H PHE A 75 -5.283 -3.564 -8.334 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.655 -1.588 -9.790 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.134 -1.261 -7.824 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.765 -1.679 -8.836 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.448 0.826 -8.334 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.768 -0.067 -10.282 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.233 3.177 -8.998 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.549 2.287 -10.951 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.281 3.916 -10.306 1.00 0.00 H new ATOM 1236 N ARG A 76 -4.082 -2.962 -11.331 1.00 0.00 N ATOM 1237 CA ARG A 76 -3.457 -3.156 -12.633 1.00 0.00 C ATOM 1238 C ARG A 76 -4.428 -3.835 -13.611 1.00 0.00 C ATOM 1239 O ARG A 76 -4.447 -3.524 -14.807 1.00 0.00 O ATOM 1240 CB ARG A 76 -2.170 -3.977 -12.484 1.00 0.00 C ATOM 1241 CG ARG A 76 -1.450 -4.257 -13.795 1.00 0.00 C ATOM 1242 CD ARG A 76 -0.147 -5.012 -13.565 1.00 0.00 C ATOM 1243 NE ARG A 76 -0.345 -6.209 -12.741 1.00 0.00 N ATOM 1244 CZ ARG A 76 -0.298 -7.464 -13.199 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -0.043 -7.706 -14.480 1.00 0.00 N ATOM 1246 NH2 ARG A 76 -0.487 -8.476 -12.363 1.00 0.00 N ATOM 0 H ARG A 76 -3.651 -3.496 -10.576 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.200 -2.179 -13.043 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.491 -3.448 -11.816 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.412 -4.926 -12.006 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.098 -4.839 -14.450 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.242 -3.317 -14.305 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.280 -5.300 -14.526 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.573 -4.353 -13.080 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.532 -6.074 -11.747 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.119 -6.931 -15.123 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.009 -8.667 -14.821 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.667 -8.295 -11.376 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.452 -9.435 -12.708 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.228 -4.759 -13.098 1.00 0.00 N ATOM 1261 CA GLU A 77 -6.214 -5.465 -13.912 1.00 0.00 C ATOM 1262 C GLU A 77 -7.325 -4.527 -14.360 1.00 0.00 C ATOM 1263 O GLU A 77 -7.724 -4.532 -15.525 1.00 0.00 O ATOM 1264 CB GLU A 77 -6.807 -6.633 -13.134 1.00 0.00 C ATOM 1265 CG GLU A 77 -5.803 -7.714 -12.797 1.00 0.00 C ATOM 1266 CD GLU A 77 -5.368 -8.510 -14.007 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -5.809 -9.670 -14.145 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -4.580 -7.988 -14.827 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.215 -5.040 -12.118 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.705 -5.846 -14.797 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.246 -6.257 -12.210 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.617 -7.071 -13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.928 -7.258 -12.334 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.238 -8.390 -12.061 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.809 -3.711 -13.431 1.00 0.00 N ATOM 1276 CA ALA A 78 -8.881 -2.768 -13.715 1.00 0.00 C ATOM 1277 C ALA A 78 -8.472 -1.786 -14.807 1.00 0.00 C ATOM 1278 O ALA A 78 -9.296 -1.394 -15.633 1.00 0.00 O ATOM 1279 CB ALA A 78 -9.288 -2.031 -12.450 1.00 0.00 C ATOM 0 H ALA A 78 -7.472 -3.685 -12.469 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.741 -3.330 -14.078 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.090 -1.330 -12.680 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.635 -2.749 -11.706 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.431 -1.485 -12.055 1.00 0.00 H new ATOM 1285 N ILE A 79 -7.197 -1.399 -14.812 1.00 0.00 N ATOM 1286 CA ILE A 79 -6.673 -0.500 -15.837 1.00 0.00 C ATOM 1287 C ILE A 79 -6.780 -1.150 -17.213 1.00 0.00 C ATOM 1288 O ILE A 79 -7.238 -0.529 -18.172 1.00 0.00 O ATOM 1289 CB ILE A 79 -5.189 -0.125 -15.569 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -5.054 0.606 -14.234 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -4.637 0.734 -16.706 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -3.625 0.927 -13.854 1.00 0.00 C ATOM 0 H ILE A 79 -6.510 -1.694 -14.119 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.272 0.410 -15.805 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.607 -1.045 -15.520 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.625 1.533 -14.279 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.500 -0.005 -13.449 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.597 0.986 -16.500 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.697 0.180 -17.643 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.223 1.650 -16.788 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.611 1.445 -12.895 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.053 0.002 -13.775 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.180 1.565 -14.618 1.00 0.00 H new ATOM 1304 N ASP A 80 -6.383 -2.415 -17.290 1.00 0.00 N ATOM 1305 CA ASP A 80 -6.416 -3.159 -18.549 1.00 0.00 C ATOM 1306 C ASP A 80 -7.850 -3.351 -19.025 1.00 0.00 C ATOM 1307 O ASP A 80 -8.126 -3.347 -20.226 1.00 0.00 O ATOM 1308 CB ASP A 80 -5.739 -4.518 -18.380 1.00 0.00 C ATOM 1309 CG ASP A 80 -5.631 -5.280 -19.683 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -4.602 -5.138 -20.372 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -6.564 -6.036 -20.020 1.00 0.00 O1- ATOM 0 H ASP A 80 -6.033 -2.950 -16.495 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.875 -2.582 -19.299 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.742 -4.374 -17.964 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.302 -5.113 -17.661 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.759 -3.508 -18.073 1.00 0.00 N ATOM 1317 CA LYS A 81 -10.173 -3.683 -18.379 1.00 0.00 C ATOM 1318 C LYS A 81 -10.823 -2.348 -18.728 1.00 0.00 C ATOM 1319 O LYS A 81 -11.924 -2.308 -19.279 1.00 0.00 O ATOM 1320 CB LYS A 81 -10.906 -4.287 -17.177 1.00 0.00 C ATOM 1321 CG LYS A 81 -10.447 -5.684 -16.786 1.00 0.00 C ATOM 1322 CD LYS A 81 -11.120 -6.151 -15.496 1.00 0.00 C ATOM 1323 CE LYS A 81 -12.638 -6.126 -15.616 1.00 0.00 C ATOM 1324 NZ LYS A 81 -13.307 -6.579 -14.373 1.00 0.00 N ATOM 0 H LYS A 81 -8.541 -3.518 -17.077 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.246 -4.354 -19.234 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.778 -3.625 -16.321 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.973 -4.319 -17.398 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.676 -6.382 -17.591 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.365 -5.690 -16.656 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.790 -7.162 -15.258 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.809 -5.511 -14.670 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.965 -5.114 -15.854 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.946 -6.764 -16.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.338 -6.545 -14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.017 -7.554 -14.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.036 -5.956 -13.586 1.00 0.00 H new ATOM 1338 N GLY A 82 -10.130 -1.261 -18.414 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.682 0.057 -18.634 1.00 0.00 C ATOM 1340 C GLY A 82 -11.826 0.329 -17.683 1.00 0.00 C ATOM 1341 O GLY A 82 -12.715 1.133 -17.970 1.00 0.00 O ATOM 0 H GLY A 82 -9.193 -1.271 -18.010 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.904 0.809 -18.498 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.031 0.142 -19.663 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.798 -0.345 -16.545 1.00 0.00 N ATOM 1346 CA ASP A 83 -12.857 -0.239 -15.559 1.00 0.00 C ATOM 1347 C ASP A 83 -12.559 0.889 -14.589 1.00 0.00 C ATOM 1348 O ASP A 83 -11.867 0.702 -13.587 1.00 0.00 O ATOM 1349 CB ASP A 83 -13.011 -1.554 -14.810 1.00 0.00 C ATOM 1350 CG ASP A 83 -14.335 -1.659 -14.111 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -14.543 -0.947 -13.122 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -15.179 -2.468 -14.552 1.00 0.00 O1- ATOM 0 H ASP A 83 -11.043 -0.978 -16.281 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.793 -0.019 -16.072 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.905 -2.383 -15.510 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.208 -1.650 -14.079 1.00 0.00 H new ATOM 1357 N LYS A 84 -13.075 2.057 -14.898 1.00 0.00 N ATOM 1358 CA LYS A 84 -12.805 3.254 -14.122 1.00 0.00 C ATOM 1359 C LYS A 84 -13.486 3.249 -12.760 1.00 0.00 C ATOM 1360 O LYS A 84 -12.932 3.772 -11.794 1.00 0.00 O ATOM 1361 CB LYS A 84 -13.186 4.495 -14.914 1.00 0.00 C ATOM 1362 CG LYS A 84 -12.397 4.645 -16.202 1.00 0.00 C ATOM 1363 CD LYS A 84 -12.862 5.839 -17.007 1.00 0.00 C ATOM 1364 CE LYS A 84 -12.068 5.981 -18.293 1.00 0.00 C ATOM 1365 NZ LYS A 84 -12.192 4.778 -19.162 1.00 0.00 N ATOM 0 H LYS A 84 -13.694 2.208 -15.694 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.733 3.268 -13.927 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.250 4.456 -15.149 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.028 5.377 -14.294 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.338 4.753 -15.969 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.501 3.740 -16.800 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.921 5.732 -17.241 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.757 6.745 -16.411 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.415 6.859 -18.838 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.018 6.149 -18.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.810 4.991 -20.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.659 3.990 -18.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.194 4.512 -19.246 1.00 0.00 H new ATOM 1379 N ASP A 85 -14.670 2.649 -12.665 1.00 0.00 N ATOM 1380 CA ASP A 85 -15.382 2.627 -11.386 1.00 0.00 C ATOM 1381 C ASP A 85 -14.620 1.809 -10.358 1.00 0.00 C ATOM 1382 O ASP A 85 -14.600 2.154 -9.174 1.00 0.00 O ATOM 1383 CB ASP A 85 -16.845 2.151 -11.522 1.00 0.00 C ATOM 1384 CG ASP A 85 -16.999 0.762 -12.094 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -17.122 0.642 -13.334 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -17.036 -0.213 -11.309 1.00 0.00 O1- ATOM 0 H ASP A 85 -15.149 2.182 -13.435 1.00 0.00 H new ATOM 0 HA ASP A 85 -15.433 3.657 -11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -17.317 2.180 -10.540 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -17.385 2.854 -12.156 1.00 0.00 H new ATOM 1391 N SER A 86 -13.972 0.741 -10.807 1.00 0.00 N ATOM 1392 CA SER A 86 -13.132 -0.046 -9.925 1.00 0.00 C ATOM 1393 C SER A 86 -11.878 0.746 -9.569 1.00 0.00 C ATOM 1394 O SER A 86 -11.433 0.738 -8.428 1.00 0.00 O ATOM 1395 CB SER A 86 -12.744 -1.372 -10.579 1.00 0.00 C ATOM 1396 OG SER A 86 -13.893 -2.104 -10.965 1.00 0.00 O ATOM 0 H SER A 86 -14.014 0.405 -11.769 1.00 0.00 H new ATOM 0 HA SER A 86 -13.694 -0.266 -9.017 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.120 -1.182 -11.452 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.148 -1.964 -9.884 1.00 0.00 H new ATOM 0 HG SER A 86 -14.447 -1.555 -11.559 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.333 1.457 -10.559 1.00 0.00 N ATOM 1403 CA LEU A 87 -10.124 2.258 -10.370 1.00 0.00 C ATOM 1404 C LEU A 87 -10.329 3.320 -9.295 1.00 0.00 C ATOM 1405 O LEU A 87 -9.510 3.459 -8.388 1.00 0.00 O ATOM 1406 CB LEU A 87 -9.706 2.920 -11.690 1.00 0.00 C ATOM 1407 CG LEU A 87 -9.245 1.962 -12.793 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -9.009 2.706 -14.101 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -7.987 1.239 -12.365 1.00 0.00 C ATOM 0 H LEU A 87 -11.714 1.493 -11.505 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.329 1.588 -10.042 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.547 3.502 -12.067 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.899 3.623 -11.484 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.035 1.229 -12.959 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.683 2.002 -14.866 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.935 3.185 -14.420 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.240 3.465 -13.954 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.669 0.561 -13.157 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.198 1.966 -12.171 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.186 0.669 -11.458 1.00 0.00 H new ATOM 1421 N GLU A 88 -11.430 4.052 -9.394 1.00 0.00 N ATOM 1422 CA GLU A 88 -11.753 5.079 -8.412 1.00 0.00 C ATOM 1423 C GLU A 88 -11.967 4.462 -7.037 1.00 0.00 C ATOM 1424 O GLU A 88 -11.464 4.967 -6.033 1.00 0.00 O ATOM 1425 CB GLU A 88 -13.005 5.845 -8.822 1.00 0.00 C ATOM 1426 CG GLU A 88 -12.889 6.571 -10.147 1.00 0.00 C ATOM 1427 CD GLU A 88 -14.123 7.384 -10.451 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -14.091 8.616 -10.239 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -15.134 6.798 -10.877 1.00 0.00 O1- ATOM 0 H GLU A 88 -12.115 3.954 -10.144 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.911 5.770 -8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.841 5.148 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.244 6.570 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.018 7.226 -10.127 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.725 5.847 -10.945 1.00 0.00 H new ATOM 1436 N GLN A 89 -12.700 3.354 -7.002 1.00 0.00 N ATOM 1437 CA GLN A 89 -13.004 2.675 -5.766 1.00 0.00 C ATOM 1438 C GLN A 89 -11.731 2.183 -5.090 1.00 0.00 C ATOM 1439 O GLN A 89 -11.592 2.274 -3.873 1.00 0.00 O ATOM 1440 CB GLN A 89 -13.948 1.508 -6.037 1.00 0.00 C ATOM 1441 CG GLN A 89 -14.538 0.899 -4.788 1.00 0.00 C ATOM 1442 CD GLN A 89 -15.292 1.918 -3.953 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -15.847 2.883 -4.481 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -15.322 1.714 -2.656 1.00 0.00 N ATOM 0 H GLN A 89 -13.095 2.910 -7.831 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.492 3.379 -5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.758 1.850 -6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.409 0.736 -6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -15.212 0.089 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.741 0.460 -4.189 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.850 0.903 -2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.817 2.367 -2.048 1.00 0.00 H new ATOM 1453 N LEU A 90 -10.804 1.674 -5.885 1.00 0.00 N ATOM 1454 CA LEU A 90 -9.534 1.193 -5.368 1.00 0.00 C ATOM 1455 C LEU A 90 -8.723 2.332 -4.766 1.00 0.00 C ATOM 1456 O LEU A 90 -8.052 2.149 -3.760 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.739 0.480 -6.462 1.00 0.00 C ATOM 1458 CG LEU A 90 -9.325 -0.853 -6.937 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -8.583 -1.360 -8.154 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -9.278 -1.887 -5.821 1.00 0.00 C ATOM 0 H LEU A 90 -10.909 1.583 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.744 0.475 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.655 1.147 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.728 0.303 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.367 -0.687 -7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.015 -2.308 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.666 -0.632 -8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.532 -1.506 -7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.699 -2.827 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.244 -2.045 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.858 -1.530 -4.970 1.00 0.00 H new ATOM 1472 N LEU A 91 -8.798 3.509 -5.381 1.00 0.00 N ATOM 1473 CA LEU A 91 -8.094 4.682 -4.867 1.00 0.00 C ATOM 1474 C LEU A 91 -8.654 5.078 -3.505 1.00 0.00 C ATOM 1475 O LEU A 91 -7.903 5.343 -2.563 1.00 0.00 O ATOM 1476 CB LEU A 91 -8.210 5.858 -5.845 1.00 0.00 C ATOM 1477 CG LEU A 91 -7.555 5.663 -7.216 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -7.825 6.863 -8.110 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -6.057 5.435 -7.067 1.00 0.00 C ATOM 0 H LEU A 91 -9.336 3.677 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.040 4.427 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.267 6.074 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.769 6.738 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.991 4.780 -7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.353 6.708 -9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.900 6.982 -8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.416 7.761 -7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.610 5.299 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.604 6.298 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.883 4.545 -6.463 1.00 0.00 H new ATOM 1491 N GLU A 92 -9.981 5.092 -3.405 1.00 0.00 N ATOM 1492 CA GLU A 92 -10.656 5.424 -2.157 1.00 0.00 C ATOM 1493 C GLU A 92 -10.340 4.383 -1.088 1.00 0.00 C ATOM 1494 O GLU A 92 -10.023 4.719 0.054 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.168 5.475 -2.373 1.00 0.00 C ATOM 1496 CG GLU A 92 -12.635 6.547 -3.342 1.00 0.00 C ATOM 1497 CD GLU A 92 -14.131 6.498 -3.563 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -14.885 6.579 -2.567 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -14.566 6.377 -4.729 1.00 0.00 O1- ATOM 0 H GLU A 92 -10.611 4.876 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.301 6.400 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.502 4.504 -2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.653 5.638 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.357 7.529 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.123 6.421 -4.296 1.00 0.00 H new ATOM 1506 N GLU A 93 -10.408 3.121 -1.482 1.00 0.00 N ATOM 1507 CA GLU A 93 -10.162 2.009 -0.582 1.00 0.00 C ATOM 1508 C GLU A 93 -8.708 1.992 -0.122 1.00 0.00 C ATOM 1509 O GLU A 93 -8.415 1.640 1.015 1.00 0.00 O ATOM 1510 CB GLU A 93 -10.510 0.684 -1.272 1.00 0.00 C ATOM 1511 CG GLU A 93 -10.539 -0.515 -0.340 1.00 0.00 C ATOM 1512 CD GLU A 93 -11.656 -0.431 0.678 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -12.738 -1.000 0.427 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -11.461 0.202 1.733 1.00 0.00 O1- ATOM 0 H GLU A 93 -10.636 2.840 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.798 2.133 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.484 0.782 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.784 0.498 -2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.655 -1.425 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.584 -0.591 0.179 1.00 0.00 H new ATOM 1521 N LEU A 94 -7.806 2.391 -1.009 1.00 0.00 N ATOM 1522 CA LEU A 94 -6.377 2.379 -0.720 1.00 0.00 C ATOM 1523 C LEU A 94 -6.044 3.290 0.463 1.00 0.00 C ATOM 1524 O LEU A 94 -5.329 2.883 1.382 1.00 0.00 O ATOM 1525 CB LEU A 94 -5.593 2.817 -1.965 1.00 0.00 C ATOM 1526 CG LEU A 94 -4.070 2.694 -1.892 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -3.658 1.244 -1.695 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -3.436 3.261 -3.154 1.00 0.00 C ATOM 0 H LEU A 94 -8.041 2.730 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.089 1.363 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.942 2.228 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.841 3.857 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.717 3.268 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.571 1.178 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.087 0.867 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.020 0.646 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.352 3.168 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.797 2.709 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.704 4.313 -3.255 1.00 0.00 H new ATOM 1540 N GLU A 95 -6.579 4.507 0.453 1.00 0.00 N ATOM 1541 CA GLU A 95 -6.354 5.441 1.553 1.00 0.00 C ATOM 1542 C GLU A 95 -6.984 4.929 2.839 1.00 0.00 C ATOM 1543 O GLU A 95 -6.385 5.001 3.913 1.00 0.00 O ATOM 1544 CB GLU A 95 -6.893 6.830 1.230 1.00 0.00 C ATOM 1545 CG GLU A 95 -6.128 7.556 0.141 1.00 0.00 C ATOM 1546 CD GLU A 95 -6.548 9.000 0.020 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -7.531 9.280 -0.694 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -5.902 9.869 0.651 1.00 0.00 O1- ATOM 0 H GLU A 95 -7.167 4.868 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.276 5.517 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.937 6.741 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.874 7.435 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.060 7.506 0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.287 7.051 -0.812 1.00 0.00 H new ATOM 1555 N GLN A 96 -8.191 4.402 2.718 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.918 3.881 3.860 1.00 0.00 C ATOM 1557 C GLN A 96 -8.209 2.669 4.455 1.00 0.00 C ATOM 1558 O GLN A 96 -8.196 2.478 5.673 1.00 0.00 O ATOM 1559 CB GLN A 96 -10.350 3.532 3.462 1.00 0.00 C ATOM 1560 CG GLN A 96 -11.168 4.740 3.029 1.00 0.00 C ATOM 1561 CD GLN A 96 -11.305 5.775 4.129 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -10.475 6.680 4.264 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -12.346 5.650 4.925 1.00 0.00 N ATOM 0 H GLN A 96 -8.690 4.324 1.832 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.951 4.655 4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.327 2.807 2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.846 3.049 4.304 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.699 5.199 2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.160 4.411 2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.010 4.889 4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.489 6.314 5.686 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.627 1.852 3.595 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.876 0.693 4.035 1.00 0.00 C ATOM 1574 C ALA A 97 -5.625 1.131 4.784 1.00 0.00 C ATOM 1575 O ALA A 97 -5.250 0.527 5.787 1.00 0.00 O ATOM 1576 CB ALA A 97 -6.512 -0.188 2.852 1.00 0.00 C ATOM 0 H ALA A 97 -7.661 1.972 2.583 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.500 0.110 4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.949 -1.053 3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.422 -0.525 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.904 0.381 2.148 1.00 0.00 H new ATOM 1582 N LEU A 98 -5.002 2.207 4.306 1.00 0.00 N ATOM 1583 CA LEU A 98 -3.805 2.751 4.942 1.00 0.00 C ATOM 1584 C LEU A 98 -4.110 3.215 6.348 1.00 0.00 C ATOM 1585 O LEU A 98 -3.319 3.000 7.267 1.00 0.00 O ATOM 1586 CB LEU A 98 -3.244 3.923 4.133 1.00 0.00 C ATOM 1587 CG LEU A 98 -2.558 3.565 2.823 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -2.231 4.827 2.041 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -1.289 2.767 3.095 1.00 0.00 C ATOM 0 H LEU A 98 -5.308 2.720 3.479 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.061 1.955 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.060 4.612 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.531 4.461 4.758 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.234 2.951 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.740 4.558 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.151 5.370 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.567 5.459 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.807 2.517 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.608 3.363 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.543 1.850 3.627 1.00 0.00 H new ATOM 1601 N GLN A 99 -5.265 3.840 6.517 1.00 0.00 N ATOM 1602 CA GLN A 99 -5.676 4.329 7.818 1.00 0.00 C ATOM 1603 C GLN A 99 -5.855 3.176 8.782 1.00 0.00 C ATOM 1604 O GLN A 99 -5.392 3.229 9.913 1.00 0.00 O ATOM 1605 CB GLN A 99 -6.964 5.145 7.716 1.00 0.00 C ATOM 1606 CG GLN A 99 -6.819 6.417 6.898 1.00 0.00 C ATOM 1607 CD GLN A 99 -5.695 7.305 7.404 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -4.552 7.203 6.954 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -6.007 8.172 8.344 1.00 0.00 N ATOM 0 H GLN A 99 -5.933 4.019 5.767 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.891 4.984 8.197 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -7.742 4.525 7.271 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -7.299 5.406 8.720 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.632 6.157 5.856 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.757 6.972 6.924 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.965 8.226 8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.291 8.790 8.726 1.00 0.00 H new ATOM 1618 N LYS A 100 -6.499 2.119 8.312 1.00 0.00 N ATOM 1619 CA LYS A 100 -6.730 0.941 9.130 1.00 0.00 C ATOM 1620 C LYS A 100 -5.411 0.315 9.558 1.00 0.00 C ATOM 1621 O LYS A 100 -5.226 -0.013 10.729 1.00 0.00 O ATOM 1622 CB LYS A 100 -7.574 -0.079 8.372 1.00 0.00 C ATOM 1623 CG LYS A 100 -8.959 0.419 8.012 1.00 0.00 C ATOM 1624 CD LYS A 100 -9.759 -0.649 7.287 1.00 0.00 C ATOM 1625 CE LYS A 100 -11.096 -0.108 6.814 1.00 0.00 C ATOM 1626 NZ LYS A 100 -10.928 0.989 5.831 1.00 0.00 N ATOM 0 H LYS A 100 -6.872 2.054 7.365 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.272 1.250 10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.051 -0.362 7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.668 -0.980 8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.486 0.719 8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.877 1.305 7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.190 -1.016 6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.922 -1.498 7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.676 -0.914 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.665 0.255 7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.493 0.784 4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.248 1.885 6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.925 1.069 5.568 1.00 0.00 H new ATOM 1640 N ILE A 101 -4.487 0.176 8.606 1.00 0.00 N ATOM 1641 CA ILE A 101 -3.177 -0.406 8.884 1.00 0.00 C ATOM 1642 C ILE A 101 -2.437 0.419 9.932 1.00 0.00 C ATOM 1643 O ILE A 101 -1.876 -0.126 10.879 1.00 0.00 O ATOM 1644 CB ILE A 101 -2.308 -0.501 7.599 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.974 -1.416 6.565 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -0.909 -1.007 7.934 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -2.232 -1.486 5.242 1.00 0.00 C ATOM 0 H ILE A 101 -4.624 0.459 7.636 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.346 -1.414 9.263 1.00 0.00 H new ATOM 0 HB ILE A 101 -2.220 0.498 7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.054 -2.421 6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.990 -1.065 6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.316 -1.067 7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.432 -0.320 8.633 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.979 -1.996 8.387 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.763 -2.152 4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.175 -0.490 4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.224 -1.867 5.410 1.00 0.00 H new ATOM 1659 N ARG A 102 -2.470 1.732 9.767 1.00 0.00 N ATOM 1660 CA ARG A 102 -1.810 2.646 10.693 1.00 0.00 C ATOM 1661 C ARG A 102 -2.374 2.502 12.102 1.00 0.00 C ATOM 1662 O ARG A 102 -1.626 2.397 13.077 1.00 0.00 O ATOM 1663 CB ARG A 102 -1.991 4.087 10.227 1.00 0.00 C ATOM 1664 CG ARG A 102 -1.157 4.472 9.018 1.00 0.00 C ATOM 1665 CD ARG A 102 -1.519 5.870 8.530 1.00 0.00 C ATOM 1666 NE ARG A 102 -1.489 6.857 9.616 1.00 0.00 N ATOM 1667 CZ ARG A 102 -1.558 8.180 9.443 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -1.629 8.696 8.221 1.00 0.00 N ATOM 1669 NH2 ARG A 102 -1.562 8.985 10.495 1.00 0.00 N ATOM 0 H ARG A 102 -2.950 2.194 8.995 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.750 2.394 10.711 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.043 4.249 9.992 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.742 4.755 11.051 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.098 4.435 9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.316 3.750 8.217 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.824 6.172 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.513 5.852 8.084 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.410 6.508 10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.631 8.081 7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.681 9.707 8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.512 8.595 11.436 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.615 9.995 10.364 1.00 0.00 H new ATOM 1683 N GLU A 103 -3.692 2.476 12.195 1.00 0.00 N ATOM 1684 CA GLU A 103 -4.370 2.397 13.477 1.00 0.00 C ATOM 1685 C GLU A 103 -4.080 1.085 14.199 1.00 0.00 C ATOM 1686 O GLU A 103 -3.817 1.081 15.403 1.00 0.00 O ATOM 1687 CB GLU A 103 -5.876 2.582 13.295 1.00 0.00 C ATOM 1688 CG GLU A 103 -6.260 3.928 12.698 1.00 0.00 C ATOM 1689 CD GLU A 103 -5.897 5.091 13.593 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -6.805 5.632 14.254 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -4.716 5.463 13.652 1.00 0.00 O1- ATOM 0 H GLU A 103 -4.318 2.509 11.391 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.983 3.204 14.100 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.255 1.788 12.652 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.366 2.470 14.262 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.764 4.048 11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.333 3.943 12.508 1.00 0.00 H new ATOM 1698 N LEU A 104 -4.133 -0.025 13.479 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.894 -1.316 14.103 1.00 0.00 C ATOM 1700 C LEU A 104 -2.421 -1.552 14.428 1.00 0.00 C ATOM 1701 O LEU A 104 -2.099 -2.167 15.440 1.00 0.00 O ATOM 1702 CB LEU A 104 -4.479 -2.470 13.281 1.00 0.00 C ATOM 1703 CG LEU A 104 -4.044 -2.594 11.829 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -2.759 -3.405 11.697 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -5.158 -3.218 11.038 1.00 0.00 C ATOM 0 H LEU A 104 -4.336 -0.059 12.480 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.424 -1.292 15.055 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.229 -3.403 13.787 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.565 -2.378 13.299 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.831 -1.600 11.437 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.478 -3.473 10.646 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.961 -2.915 12.255 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.919 -4.407 12.095 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.856 -3.311 9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.381 -4.206 11.441 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.047 -2.590 11.103 1.00 0.00 H new ATOM 1717 N ALA A 105 -1.526 -1.065 13.572 1.00 0.00 N ATOM 1718 CA ALA A 105 -0.101 -1.303 13.766 1.00 0.00 C ATOM 1719 C ALA A 105 0.501 -0.454 14.887 1.00 0.00 C ATOM 1720 O ALA A 105 1.430 -0.896 15.567 1.00 0.00 O ATOM 1721 CB ALA A 105 0.653 -1.083 12.468 1.00 0.00 C ATOM 0 H ALA A 105 -1.759 -0.511 12.748 1.00 0.00 H new ATOM 0 HA ALA A 105 0.004 -2.343 14.074 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.716 -1.265 12.629 1.00 0.00 H new ATOM 0 HB2 ALA A 105 0.279 -1.770 11.709 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.507 -0.056 12.132 1.00 0.00 H new ATOM 1727 N GLU A 106 -0.020 0.750 15.095 1.00 0.00 N ATOM 1728 CA GLU A 106 0.503 1.598 16.162 1.00 0.00 C ATOM 1729 C GLU A 106 -0.286 1.430 17.447 1.00 0.00 C ATOM 1730 O GLU A 106 0.245 1.647 18.538 1.00 0.00 O ATOM 1731 CB GLU A 106 0.528 3.072 15.752 1.00 0.00 C ATOM 1732 CG GLU A 106 1.484 3.385 14.613 1.00 0.00 C ATOM 1733 CD GLU A 106 1.819 4.857 14.536 1.00 0.00 C ATOM 1734 OE1 GLU A 106 1.120 5.598 13.818 1.00 0.00 O ATOM 1735 OE2 GLU A 106 2.785 5.292 15.207 1.00 0.00 O1- ATOM 0 H GLU A 106 -0.785 1.154 14.555 1.00 0.00 H new ATOM 0 HA GLU A 106 1.528 1.275 16.343 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -0.478 3.374 15.460 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.803 3.674 16.618 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.402 2.812 14.744 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.040 3.065 13.670 1.00 0.00 H new ATOM 1742 N LYS A 107 -1.546 1.000 17.305 1.00 0.00 N ATOM 1743 CA LYS A 107 -2.466 0.801 18.433 1.00 0.00 C ATOM 1744 C LYS A 107 -2.667 2.083 19.245 1.00 0.00 C ATOM 1745 O LYS A 107 -1.776 2.523 19.973 1.00 0.00 O ATOM 1746 CB LYS A 107 -1.995 -0.327 19.350 1.00 0.00 C ATOM 1747 CG LYS A 107 -1.866 -1.675 18.664 1.00 0.00 C ATOM 1748 CD LYS A 107 -1.591 -2.808 19.656 1.00 0.00 C ATOM 1749 CE LYS A 107 -0.226 -2.683 20.343 1.00 0.00 C ATOM 1750 NZ LYS A 107 -0.198 -1.632 21.398 1.00 0.00 N ATOM 0 H LYS A 107 -1.959 0.779 16.399 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.426 0.520 17.999 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.029 -0.055 19.775 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.694 -0.420 20.181 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -2.783 -1.890 18.115 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.059 -1.632 17.932 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.374 -2.818 20.414 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.642 -3.763 19.132 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.040 -3.642 20.787 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.532 -2.457 19.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 0.361 -0.821 21.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.169 -1.322 21.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.233 -2.019 22.262 1.00 0.00 H new