USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 HIS : no HE2:sc= -0.0372 K(o=0.66,f=-0.77) USER MOD Set 1.2: A 22 THR OG1 : rot -41:sc= 0.695 USER MOD Set 1.3: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 1.04 USER MOD Set 2.2: A 8 GLN :FLIP amide:sc= 0.845 F(o=0.87,f=1.9) USER MOD Set 2.3: A 53 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.622) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= 0.456 (180deg=0.228) USER MOD Single : A 9 GLN :FLIP amide:sc= 0.808 F(o=0.11,f=0.81) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0746 K(o=-0.075,f=-1.5!) USER MOD Single : A 27 THR OG1 : rot 43:sc= 0.562 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -100:sc= 0.386 USER MOD Single : A 70 GLN : amide:sc= 0.0143 X(o=0.014,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.877 -2.510 -17.866 1.00 0.00 N ATOM 2 CA MET A 1 -4.921 -3.228 -16.985 1.00 0.00 C ATOM 3 C MET A 1 -5.128 -2.918 -15.472 1.00 0.00 C ATOM 4 O MET A 1 -5.478 -3.819 -14.704 1.00 0.00 O ATOM 5 CB MET A 1 -3.493 -2.998 -17.529 1.00 0.00 C ATOM 6 CG MET A 1 -2.363 -3.706 -16.766 1.00 0.00 C ATOM 7 SD MET A 1 -2.603 -5.487 -16.718 1.00 0.00 S ATOM 8 CE MET A 1 -1.294 -5.903 -15.554 1.00 0.00 C ATOM 0 H1 MET A 1 -5.688 -2.758 -18.858 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.849 -2.785 -17.620 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.764 -1.484 -17.738 1.00 0.00 H new ATOM 0 HA MET A 1 -5.111 -4.301 -17.018 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.464 -3.325 -18.568 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.292 -1.927 -17.526 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.408 -3.481 -17.240 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.313 -3.318 -15.748 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.281 -6.981 -15.391 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.333 -5.585 -15.958 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.475 -5.395 -14.607 1.00 0.00 H new ATOM 19 N LYS A 2 -4.872 -1.678 -15.034 1.00 0.00 N ATOM 20 CA LYS A 2 -4.672 -1.366 -13.589 1.00 0.00 C ATOM 21 C LYS A 2 -5.988 -0.911 -12.865 1.00 0.00 C ATOM 22 O LYS A 2 -6.134 0.234 -12.427 1.00 0.00 O ATOM 23 CB LYS A 2 -3.526 -0.320 -13.474 1.00 0.00 C ATOM 24 CG LYS A 2 -2.152 -0.821 -13.965 1.00 0.00 C ATOM 25 CD LYS A 2 -1.056 0.244 -13.824 1.00 0.00 C ATOM 26 CE LYS A 2 0.227 -0.184 -14.547 1.00 0.00 C ATOM 27 NZ LYS A 2 1.283 0.818 -14.306 1.00 0.00 N ATOM 0 H LYS A 2 -4.796 -0.867 -15.649 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.386 -2.278 -13.064 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.801 0.566 -14.046 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.435 -0.012 -12.432 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.868 -1.708 -13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.230 -1.122 -15.010 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.409 1.190 -14.234 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.843 0.413 -12.769 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.550 -1.162 -14.190 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.040 -0.281 -15.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.002 0.752 -15.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.865 1.770 -14.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.728 0.639 -13.383 1.00 0.00 H new ATOM 40 N ALA A 3 -6.933 -1.851 -12.722 1.00 0.00 N ATOM 41 CA ALA A 3 -8.270 -1.580 -12.143 1.00 0.00 C ATOM 42 C ALA A 3 -8.358 -2.019 -10.652 1.00 0.00 C ATOM 43 O ALA A 3 -8.514 -3.203 -10.337 1.00 0.00 O ATOM 44 CB ALA A 3 -9.275 -2.318 -13.044 1.00 0.00 C ATOM 0 H ALA A 3 -6.799 -2.822 -13.002 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.487 -0.512 -12.122 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -10.286 -2.157 -12.669 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.200 -1.935 -14.062 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.052 -3.385 -13.040 1.00 0.00 H new ATOM 50 N LEU A 4 -8.241 -1.053 -9.732 1.00 0.00 N ATOM 51 CA LEU A 4 -8.099 -1.355 -8.286 1.00 0.00 C ATOM 52 C LEU A 4 -9.472 -1.572 -7.563 1.00 0.00 C ATOM 53 O LEU A 4 -10.294 -0.658 -7.462 1.00 0.00 O ATOM 54 CB LEU A 4 -7.296 -0.231 -7.569 1.00 0.00 C ATOM 55 CG LEU A 4 -5.876 0.099 -8.084 1.00 0.00 C ATOM 56 CD1 LEU A 4 -5.180 1.054 -7.102 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.007 -1.136 -8.292 1.00 0.00 C ATOM 0 H LEU A 4 -8.241 -0.057 -9.953 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.554 -2.297 -8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.888 0.683 -7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.213 -0.501 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.998 0.569 -9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.179 1.285 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.758 1.975 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.109 0.581 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.025 -0.833 -8.654 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.897 -1.667 -7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.477 -1.792 -9.025 1.00 0.00 H new ATOM 69 N THR A 5 -9.683 -2.777 -7.015 1.00 0.00 N ATOM 70 CA THR A 5 -10.887 -3.091 -6.186 1.00 0.00 C ATOM 71 C THR A 5 -10.941 -2.297 -4.827 1.00 0.00 C ATOM 72 O THR A 5 -9.907 -1.886 -4.299 1.00 0.00 O ATOM 73 CB THR A 5 -11.010 -4.627 -5.898 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.928 -5.126 -5.117 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.119 -5.512 -7.134 1.00 0.00 C ATOM 0 H THR A 5 -9.041 -3.562 -7.123 1.00 0.00 H new ATOM 0 HA THR A 5 -11.735 -2.766 -6.789 1.00 0.00 H new ATOM 0 HB THR A 5 -11.950 -4.687 -5.350 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.051 -6.086 -4.963 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.200 -6.555 -6.829 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.004 -5.232 -7.705 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.231 -5.383 -7.753 1.00 0.00 H new ATOM 83 N ALA A 6 -12.142 -2.090 -4.264 1.00 0.00 N ATOM 84 CA ALA A 6 -12.345 -1.198 -3.085 1.00 0.00 C ATOM 85 C ALA A 6 -11.394 -1.330 -1.846 1.00 0.00 C ATOM 86 O ALA A 6 -10.866 -0.312 -1.392 1.00 0.00 O ATOM 87 CB ALA A 6 -13.824 -1.341 -2.689 1.00 0.00 C ATOM 0 H ALA A 6 -13.000 -2.527 -4.601 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.063 -0.199 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.033 -0.708 -1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.455 -1.037 -3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.034 -2.380 -2.435 1.00 0.00 H new ATOM 93 N ARG A 7 -11.145 -2.550 -1.340 1.00 0.00 N ATOM 94 CA ARG A 7 -10.171 -2.769 -0.231 1.00 0.00 C ATOM 95 C ARG A 7 -8.660 -2.592 -0.604 1.00 0.00 C ATOM 96 O ARG A 7 -7.936 -1.963 0.170 1.00 0.00 O ATOM 97 CB ARG A 7 -10.502 -4.119 0.436 1.00 0.00 C ATOM 98 CG ARG A 7 -9.869 -4.374 1.819 1.00 0.00 C ATOM 99 CD ARG A 7 -10.313 -3.412 2.930 1.00 0.00 C ATOM 100 NE ARG A 7 -9.957 -4.016 4.233 1.00 0.00 N ATOM 101 CZ ARG A 7 -9.980 -3.399 5.406 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.276 -2.147 5.590 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.680 -4.102 6.441 1.00 0.00 N ATOM 0 H ARG A 7 -11.597 -3.402 -1.672 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.299 -1.961 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.585 -4.194 0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.188 -4.918 -0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.106 -5.393 2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.785 -4.314 1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.824 -2.445 2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.387 -3.236 2.873 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.668 -4.994 4.228 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.516 -1.557 4.793 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.269 -1.754 6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.439 -5.088 6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.683 -3.674 7.367 1.00 0.00 H new ATOM 116 N GLN A 8 -8.184 -3.076 -1.769 1.00 0.00 N ATOM 117 CA GLN A 8 -6.823 -2.715 -2.274 1.00 0.00 C ATOM 118 C GLN A 8 -6.603 -1.203 -2.658 1.00 0.00 C ATOM 119 O GLN A 8 -5.526 -0.675 -2.392 1.00 0.00 O ATOM 120 CB GLN A 8 -6.358 -3.709 -3.375 1.00 0.00 C ATOM 121 CG GLN A 8 -6.929 -3.479 -4.782 1.00 0.00 C ATOM 122 CD GLN A 8 -6.618 -4.518 -5.839 1.00 0.00 C ATOM 123 OE1 GLN A 8 -5.388 -4.641 -6.265 1.00 0.00 O flip ATOM 124 NE2 GLN A 8 -7.510 -5.186 -6.353 1.00 0.00 N flip ATOM 0 H GLN A 8 -8.704 -3.709 -2.377 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.163 -2.826 -1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.270 -3.668 -3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.622 -4.718 -3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.013 -3.399 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.566 -2.516 -5.140 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.471 -5.093 -6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.290 -5.834 -7.109 1.00 0.00 H new ATOM 133 N GLN A 9 -7.603 -0.519 -3.242 1.00 0.00 N ATOM 134 CA GLN A 9 -7.579 0.956 -3.469 1.00 0.00 C ATOM 135 C GLN A 9 -7.399 1.827 -2.185 1.00 0.00 C ATOM 136 O GLN A 9 -6.511 2.677 -2.179 1.00 0.00 O ATOM 137 CB GLN A 9 -8.845 1.305 -4.288 1.00 0.00 C ATOM 138 CG GLN A 9 -9.024 2.772 -4.731 1.00 0.00 C ATOM 139 CD GLN A 9 -7.985 3.357 -5.672 1.00 0.00 C ATOM 140 OE1 GLN A 9 -7.028 4.088 -5.163 1.00 0.00 O flip ATOM 141 NE2 GLN A 9 -8.032 3.207 -6.889 1.00 0.00 N flip ATOM 0 H GLN A 9 -8.458 -0.966 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.678 1.213 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.850 0.681 -5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.716 1.023 -3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.999 2.861 -5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.052 3.392 -3.835 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.771 2.640 -7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.332 3.649 -7.485 1.00 0.00 H new ATOM 150 N GLU A 10 -8.166 1.605 -1.103 1.00 0.00 N ATOM 151 CA GLU A 10 -7.866 2.228 0.222 1.00 0.00 C ATOM 152 C GLU A 10 -6.490 1.868 0.885 1.00 0.00 C ATOM 153 O GLU A 10 -5.865 2.755 1.468 1.00 0.00 O ATOM 154 CB GLU A 10 -9.078 2.081 1.172 1.00 0.00 C ATOM 155 CG GLU A 10 -9.385 0.653 1.636 1.00 0.00 C ATOM 156 CD GLU A 10 -10.587 0.523 2.545 1.00 0.00 C ATOM 157 OE1 GLU A 10 -10.515 0.284 3.745 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.763 0.671 1.880 1.00 0.00 O ATOM 0 H GLU A 10 -8.992 1.007 -1.107 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.713 3.286 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.905 2.701 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.960 2.479 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.543 0.027 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.511 0.259 2.155 1.00 0.00 H new ATOM 166 N VAL A 11 -5.995 0.624 0.749 1.00 0.00 N ATOM 167 CA VAL A 11 -4.569 0.270 1.070 1.00 0.00 C ATOM 168 C VAL A 11 -3.521 1.078 0.222 1.00 0.00 C ATOM 169 O VAL A 11 -2.632 1.684 0.822 1.00 0.00 O ATOM 170 CB VAL A 11 -4.374 -1.280 1.005 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.913 -1.747 1.188 1.00 0.00 C ATOM 172 CG2 VAL A 11 -5.178 -2.020 2.102 1.00 0.00 C ATOM 0 H VAL A 11 -6.550 -0.166 0.419 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.367 0.582 2.095 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.723 -1.524 0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.869 -2.834 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.292 -1.315 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.546 -1.421 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.010 -3.093 2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.851 -1.680 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.240 -1.808 1.980 1.00 0.00 H new ATOM 182 N PHE A 12 -3.654 1.127 -1.117 1.00 0.00 N ATOM 183 CA PHE A 12 -2.914 2.091 -1.981 1.00 0.00 C ATOM 184 C PHE A 12 -2.983 3.593 -1.536 1.00 0.00 C ATOM 185 O PHE A 12 -1.934 4.224 -1.401 1.00 0.00 O ATOM 186 CB PHE A 12 -3.385 1.864 -3.447 1.00 0.00 C ATOM 187 CG PHE A 12 -2.638 2.723 -4.481 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.350 2.373 -4.911 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.177 3.953 -4.893 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.603 3.254 -5.694 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.425 4.835 -5.668 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.129 4.493 -6.045 1.00 0.00 C ATOM 0 H PHE A 12 -4.273 0.505 -1.637 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.849 1.882 -1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.255 0.812 -3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.452 2.079 -3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.934 1.416 -4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.184 4.218 -4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.385 2.973 -6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.847 5.781 -5.975 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.531 5.191 -6.611 1.00 0.00 H new ATOM 202 N ASP A 13 -4.181 4.144 -1.300 1.00 0.00 N ATOM 203 CA ASP A 13 -4.336 5.533 -0.806 1.00 0.00 C ATOM 204 C ASP A 13 -3.716 5.820 0.606 1.00 0.00 C ATOM 205 O ASP A 13 -3.106 6.872 0.752 1.00 0.00 O ATOM 206 CB ASP A 13 -5.808 5.993 -0.860 1.00 0.00 C ATOM 207 CG ASP A 13 -6.478 5.978 -2.225 1.00 0.00 C ATOM 208 OD1 ASP A 13 -7.549 5.416 -2.434 1.00 0.00 O ATOM 209 OD2 ASP A 13 -5.767 6.644 -3.183 1.00 0.00 O ATOM 0 H ASP A 13 -5.064 3.653 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.743 6.128 -1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.388 5.359 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.862 7.008 -0.465 1.00 0.00 H new ATOM 215 N LEU A 14 -3.798 4.921 1.598 1.00 0.00 N ATOM 216 CA LEU A 14 -3.060 5.081 2.894 1.00 0.00 C ATOM 217 C LEU A 14 -1.496 5.064 2.774 1.00 0.00 C ATOM 218 O LEU A 14 -0.847 5.951 3.337 1.00 0.00 O ATOM 219 CB LEU A 14 -3.617 4.009 3.861 1.00 0.00 C ATOM 220 CG LEU A 14 -3.485 4.216 5.381 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.059 4.220 5.923 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.231 5.463 5.863 1.00 0.00 C ATOM 0 H LEU A 14 -4.362 4.073 1.544 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.239 6.083 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.677 3.888 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.131 3.065 3.617 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.957 3.325 5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.080 4.373 7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.583 3.265 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.494 5.025 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.108 5.566 6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.826 6.344 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.291 5.367 5.626 1.00 0.00 H new ATOM 234 N ILE A 15 -0.891 4.120 2.028 1.00 0.00 N ATOM 235 CA ILE A 15 0.572 4.176 1.694 1.00 0.00 C ATOM 236 C ILE A 15 1.035 5.465 0.908 1.00 0.00 C ATOM 237 O ILE A 15 2.003 6.107 1.317 1.00 0.00 O ATOM 238 CB ILE A 15 1.141 2.841 1.076 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.544 2.482 -0.299 1.00 0.00 C ATOM 240 CG2 ILE A 15 0.984 1.661 2.066 1.00 0.00 C ATOM 241 CD1 ILE A 15 1.129 1.254 -0.988 1.00 0.00 C ATOM 0 H ILE A 15 -1.376 3.310 1.641 1.00 0.00 H new ATOM 0 HA ILE A 15 1.042 4.275 2.673 1.00 0.00 H new ATOM 0 HB ILE A 15 2.201 3.027 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.528 2.328 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.670 3.339 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.384 0.753 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.529 1.881 2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.072 1.517 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.631 1.102 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.196 1.404 -1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.979 0.377 -0.358 1.00 0.00 H new ATOM 253 N ARG A 16 0.296 5.861 -0.134 1.00 0.00 N ATOM 254 CA ARG A 16 0.400 7.201 -0.787 1.00 0.00 C ATOM 255 C ARG A 16 0.236 8.441 0.160 1.00 0.00 C ATOM 256 O ARG A 16 1.091 9.328 0.148 1.00 0.00 O ATOM 257 CB ARG A 16 -0.669 7.134 -1.905 1.00 0.00 C ATOM 258 CG ARG A 16 -0.813 8.354 -2.833 1.00 0.00 C ATOM 259 CD ARG A 16 -2.136 8.303 -3.632 1.00 0.00 C ATOM 260 NE ARG A 16 -3.270 8.635 -2.728 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.314 9.388 -3.012 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.576 9.887 -4.180 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.139 9.626 -2.050 1.00 0.00 N ATOM 0 H ARG A 16 -0.407 5.261 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 16 1.410 7.376 -1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.451 6.265 -2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.636 6.955 -1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.779 9.269 -2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.030 8.389 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.100 9.008 -4.463 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.277 7.311 -4.061 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.236 8.238 -1.789 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.950 9.705 -4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.408 10.461 -4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.967 9.237 -1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.963 10.203 -2.216 1.00 0.00 H new ATOM 276 N ASP A 17 -0.827 8.493 0.973 1.00 0.00 N ATOM 277 CA ASP A 17 -1.064 9.574 1.961 1.00 0.00 C ATOM 278 C ASP A 17 -0.014 9.714 3.112 1.00 0.00 C ATOM 279 O ASP A 17 0.297 10.849 3.471 1.00 0.00 O ATOM 280 CB ASP A 17 -2.499 9.417 2.529 1.00 0.00 C ATOM 281 CG ASP A 17 -3.585 10.023 1.653 1.00 0.00 C ATOM 282 OD1 ASP A 17 -4.463 9.383 1.086 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.487 11.379 1.586 1.00 0.00 O ATOM 0 H ASP A 17 -1.559 7.782 0.970 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.945 10.508 1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.709 8.356 2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.541 9.882 3.514 1.00 0.00 H new ATOM 289 N HIS A 18 0.539 8.634 3.684 1.00 0.00 N ATOM 290 CA HIS A 18 1.718 8.743 4.598 1.00 0.00 C ATOM 291 C HIS A 18 3.095 9.089 3.925 1.00 0.00 C ATOM 292 O HIS A 18 3.895 9.793 4.548 1.00 0.00 O ATOM 293 CB HIS A 18 1.744 7.495 5.495 1.00 0.00 C ATOM 294 CG HIS A 18 2.679 7.623 6.709 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.431 8.503 7.756 1.00 0.00 N ATOM 296 CD2 HIS A 18 3.933 7.008 6.875 1.00 0.00 C ATOM 297 CE1 HIS A 18 3.584 8.324 8.475 1.00 0.00 C ATOM 298 NE2 HIS A 18 4.521 7.431 8.045 1.00 0.00 N ATOM 0 H HIS A 18 0.204 7.681 3.541 1.00 0.00 H new ATOM 0 HA HIS A 18 1.577 9.634 5.209 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.733 7.291 5.847 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.053 6.637 4.899 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.627 9.105 7.936 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.372 6.304 6.183 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.750 8.889 9.380 1.00 0.00 H new ATOM 306 N ILE A 19 3.339 8.693 2.667 1.00 0.00 N ATOM 307 CA ILE A 19 4.407 9.317 1.810 1.00 0.00 C ATOM 308 C ILE A 19 4.175 10.863 1.565 1.00 0.00 C ATOM 309 O ILE A 19 5.132 11.627 1.677 1.00 0.00 O ATOM 310 CB ILE A 19 4.582 8.482 0.485 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.129 7.050 0.790 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.537 9.146 -0.538 1.00 0.00 C ATOM 313 CD1 ILE A 19 4.928 6.045 -0.346 1.00 0.00 C ATOM 0 H ILE A 19 2.822 7.946 2.204 1.00 0.00 H new ATOM 0 HA ILE A 19 5.353 9.276 2.351 1.00 0.00 H new ATOM 0 HB ILE A 19 3.585 8.433 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.194 7.120 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.640 6.670 1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.612 8.519 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.147 10.125 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.525 9.262 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.336 5.078 -0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.863 5.942 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.442 6.399 -1.240 1.00 0.00 H new ATOM 325 N SER A 20 2.945 11.332 1.295 1.00 0.00 N ATOM 326 CA SER A 20 2.620 12.787 1.329 1.00 0.00 C ATOM 327 C SER A 20 2.716 13.525 2.720 1.00 0.00 C ATOM 328 O SER A 20 3.008 14.721 2.727 1.00 0.00 O ATOM 329 CB SER A 20 1.212 12.977 0.718 1.00 0.00 C ATOM 330 OG SER A 20 0.931 14.361 0.498 1.00 0.00 O ATOM 0 H SER A 20 2.155 10.735 1.050 1.00 0.00 H new ATOM 0 HA SER A 20 3.408 13.268 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.145 12.434 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.462 12.552 1.385 1.00 0.00 H new ATOM 0 HG SER A 20 0.036 14.455 0.110 1.00 0.00 H new ATOM 336 N GLN A 21 2.458 12.851 3.849 1.00 0.00 N ATOM 337 CA GLN A 21 2.715 13.405 5.208 1.00 0.00 C ATOM 338 C GLN A 21 4.237 13.454 5.639 1.00 0.00 C ATOM 339 O GLN A 21 4.647 14.436 6.258 1.00 0.00 O ATOM 340 CB GLN A 21 1.929 12.571 6.267 1.00 0.00 C ATOM 341 CG GLN A 21 0.393 12.733 6.238 1.00 0.00 C ATOM 342 CD GLN A 21 -0.346 11.695 7.076 1.00 0.00 C ATOM 343 OE1 GLN A 21 -0.567 11.839 8.273 1.00 0.00 O ATOM 344 NE2 GLN A 21 -0.766 10.607 6.482 1.00 0.00 N ATOM 0 H GLN A 21 2.067 11.909 3.859 1.00 0.00 H new ATOM 0 HA GLN A 21 2.377 14.440 5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.168 11.517 6.124 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.287 12.847 7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.134 13.729 6.597 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.048 12.667 5.206 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.591 10.470 5.486 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.268 9.897 7.015 1.00 0.00 H new ATOM 353 N THR A 22 5.015 12.395 5.374 1.00 0.00 N ATOM 354 CA THR A 22 6.396 12.233 5.916 1.00 0.00 C ATOM 355 C THR A 22 7.549 11.970 4.874 1.00 0.00 C ATOM 356 O THR A 22 8.718 12.102 5.246 1.00 0.00 O ATOM 357 CB THR A 22 6.454 11.070 6.977 1.00 0.00 C ATOM 358 OG1 THR A 22 6.126 9.801 6.414 1.00 0.00 O ATOM 359 CG2 THR A 22 5.572 11.279 8.203 1.00 0.00 C ATOM 0 H THR A 22 4.717 11.621 4.780 1.00 0.00 H new ATOM 0 HA THR A 22 6.590 13.215 6.348 1.00 0.00 H new ATOM 0 HB THR A 22 7.494 11.088 7.302 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.376 9.903 5.791 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.678 10.428 8.876 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.876 12.190 8.719 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.531 11.368 7.892 1.00 0.00 H new ATOM 367 N GLY A 23 7.256 11.542 3.639 1.00 0.00 N ATOM 368 CA GLY A 23 8.275 10.977 2.718 1.00 0.00 C ATOM 369 C GLY A 23 8.365 9.436 2.639 1.00 0.00 C ATOM 370 O GLY A 23 8.539 8.894 1.547 1.00 0.00 O ATOM 0 H GLY A 23 6.316 11.573 3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.076 11.357 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.251 11.359 3.016 1.00 0.00 H new ATOM 374 N MET A 24 8.306 8.746 3.783 1.00 0.00 N ATOM 375 CA MET A 24 8.524 7.281 3.873 1.00 0.00 C ATOM 376 C MET A 24 7.220 6.411 3.958 1.00 0.00 C ATOM 377 O MET A 24 6.250 6.850 4.582 1.00 0.00 O ATOM 378 CB MET A 24 9.527 7.003 5.024 1.00 0.00 C ATOM 379 CG MET A 24 9.113 7.321 6.466 1.00 0.00 C ATOM 380 SD MET A 24 7.913 6.133 7.085 1.00 0.00 S ATOM 381 CE MET A 24 7.862 6.661 8.804 1.00 0.00 C ATOM 0 H MET A 24 8.105 9.182 4.683 1.00 0.00 H new ATOM 0 HA MET A 24 8.951 6.954 2.925 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.790 5.946 4.983 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.436 7.566 4.811 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.994 7.318 7.108 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.690 8.324 6.511 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.162 6.034 9.357 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.856 6.569 9.242 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.537 7.700 8.856 1.00 0.00 H new ATOM 391 N PRO A 25 7.159 5.165 3.404 1.00 0.00 N ATOM 392 CA PRO A 25 5.991 4.244 3.599 1.00 0.00 C ATOM 393 C PRO A 25 5.587 3.833 5.054 1.00 0.00 C ATOM 394 O PRO A 25 6.482 3.635 5.884 1.00 0.00 O ATOM 395 CB PRO A 25 6.437 2.972 2.819 1.00 0.00 C ATOM 396 CG PRO A 25 7.379 3.492 1.724 1.00 0.00 C ATOM 397 CD PRO A 25 8.089 4.691 2.357 1.00 0.00 C ATOM 0 HA PRO A 25 5.092 4.763 3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.945 2.264 3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.581 2.451 2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.092 2.726 1.419 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.825 3.786 0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.051 4.403 2.782 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.286 5.469 1.620 1.00 0.00 H new ATOM 405 N PRO A 26 4.288 3.616 5.400 1.00 0.00 N ATOM 406 CA PRO A 26 3.890 3.091 6.744 1.00 0.00 C ATOM 407 C PRO A 26 4.051 1.548 6.854 1.00 0.00 C ATOM 408 O PRO A 26 3.435 0.776 6.111 1.00 0.00 O ATOM 409 CB PRO A 26 2.419 3.564 6.836 1.00 0.00 C ATOM 410 CG PRO A 26 1.904 3.576 5.382 1.00 0.00 C ATOM 411 CD PRO A 26 3.138 3.896 4.521 1.00 0.00 C ATOM 0 HA PRO A 26 4.511 3.450 7.565 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.828 2.891 7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.352 4.555 7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.472 2.613 5.109 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.124 4.325 5.246 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.166 3.279 3.623 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.134 4.935 4.193 1.00 0.00 H new ATOM 419 N THR A 27 4.878 1.096 7.797 1.00 0.00 N ATOM 420 CA THR A 27 5.311 -0.332 7.863 1.00 0.00 C ATOM 421 C THR A 27 4.330 -1.192 8.723 1.00 0.00 C ATOM 422 O THR A 27 4.565 -1.408 9.917 1.00 0.00 O ATOM 423 CB THR A 27 6.776 -0.453 8.401 1.00 0.00 C ATOM 424 OG1 THR A 27 6.897 0.057 9.728 1.00 0.00 O ATOM 425 CG2 THR A 27 7.825 0.250 7.549 1.00 0.00 C ATOM 0 H THR A 27 5.270 1.684 8.532 1.00 0.00 H new ATOM 0 HA THR A 27 5.289 -0.725 6.846 1.00 0.00 H new ATOM 0 HB THR A 27 6.970 -1.525 8.369 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.135 -0.245 10.265 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.809 0.113 7.997 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.822 -0.174 6.545 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.596 1.314 7.494 1.00 0.00 H new ATOM 433 N ARG A 28 3.212 -1.632 8.115 1.00 0.00 N ATOM 434 CA ARG A 28 2.073 -2.296 8.823 1.00 0.00 C ATOM 435 C ARG A 28 1.253 -1.413 9.825 1.00 0.00 C ATOM 436 O ARG A 28 0.026 -1.375 9.719 1.00 0.00 O ATOM 437 CB ARG A 28 2.487 -3.699 9.327 1.00 0.00 C ATOM 438 CG ARG A 28 1.436 -4.517 10.091 1.00 0.00 C ATOM 439 CD ARG A 28 0.188 -4.912 9.294 1.00 0.00 C ATOM 440 NE ARG A 28 -0.735 -5.544 10.264 1.00 0.00 N ATOM 441 CZ ARG A 28 -1.840 -6.203 9.985 1.00 0.00 C ATOM 442 NH1 ARG A 28 -2.263 -6.469 8.786 1.00 0.00 N ATOM 443 NH2 ARG A 28 -2.549 -6.601 10.981 1.00 0.00 N ATOM 0 H ARG A 28 3.061 -1.541 7.110 1.00 0.00 H new ATOM 0 HA ARG A 28 1.300 -2.449 8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.808 -4.285 8.465 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.356 -3.581 9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.910 -5.426 10.462 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.121 -3.944 10.963 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.271 -4.039 8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.441 -5.603 8.490 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.489 -5.460 11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.726 -6.161 7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.132 -6.986 8.655 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.246 -6.402 11.934 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.414 -7.116 10.818 1.00 0.00 H new ATOM 456 N ALA A 29 1.909 -0.741 10.781 1.00 0.00 N ATOM 457 CA ALA A 29 1.244 -0.090 11.937 1.00 0.00 C ATOM 458 C ALA A 29 0.138 0.967 11.638 1.00 0.00 C ATOM 459 O ALA A 29 -0.985 0.789 12.112 1.00 0.00 O ATOM 460 CB ALA A 29 2.365 0.453 12.837 1.00 0.00 C ATOM 0 H ALA A 29 2.923 -0.628 10.781 1.00 0.00 H new ATOM 0 HA ALA A 29 0.642 -0.852 12.432 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.928 0.944 13.706 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.999 -0.371 13.166 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.965 1.171 12.278 1.00 0.00 H new ATOM 466 N GLU A 30 0.407 2.008 10.830 1.00 0.00 N ATOM 467 CA GLU A 30 -0.671 2.937 10.367 1.00 0.00 C ATOM 468 C GLU A 30 -1.739 2.319 9.383 1.00 0.00 C ATOM 469 O GLU A 30 -2.899 2.730 9.423 1.00 0.00 O ATOM 470 CB GLU A 30 -0.012 4.200 9.766 1.00 0.00 C ATOM 471 CG GLU A 30 -0.953 5.424 9.730 1.00 0.00 C ATOM 472 CD GLU A 30 -0.396 6.593 8.942 1.00 0.00 C ATOM 473 OE1 GLU A 30 -0.797 6.920 7.829 1.00 0.00 O ATOM 474 OE2 GLU A 30 0.613 7.223 9.600 1.00 0.00 O ATOM 0 H GLU A 30 1.339 2.235 10.483 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.261 3.183 11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.875 4.450 10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.323 3.979 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.907 5.126 9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.154 5.748 10.751 1.00 0.00 H new ATOM 482 N ILE A 31 -1.360 1.340 8.543 1.00 0.00 N ATOM 483 CA ILE A 31 -2.321 0.572 7.686 1.00 0.00 C ATOM 484 C ILE A 31 -3.385 -0.218 8.546 1.00 0.00 C ATOM 485 O ILE A 31 -4.583 -0.021 8.344 1.00 0.00 O ATOM 486 CB ILE A 31 -1.564 -0.366 6.666 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.511 0.387 5.798 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.561 -1.058 5.696 1.00 0.00 C ATOM 489 CD1 ILE A 31 0.498 -0.540 5.117 1.00 0.00 C ATOM 0 H ILE A 31 -0.389 1.049 8.429 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.880 1.300 7.098 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.048 -1.098 7.287 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.030 0.968 5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.027 1.096 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.012 -1.698 5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.265 -1.662 6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.106 -0.300 5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.199 0.054 4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.044 -1.103 5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.029 -1.232 4.460 1.00 0.00 H new ATOM 501 N ALA A 32 -2.953 -1.053 9.503 1.00 0.00 N ATOM 502 CA ALA A 32 -3.862 -1.685 10.491 1.00 0.00 C ATOM 503 C ALA A 32 -4.630 -0.752 11.485 1.00 0.00 C ATOM 504 O ALA A 32 -5.787 -1.047 11.791 1.00 0.00 O ATOM 505 CB ALA A 32 -3.029 -2.737 11.234 1.00 0.00 C ATOM 0 H ALA A 32 -1.973 -1.312 9.620 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.693 -2.105 9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.651 -3.236 11.977 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.654 -3.473 10.523 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.189 -2.251 11.731 1.00 0.00 H new ATOM 511 N GLN A 33 -4.020 0.337 11.970 1.00 0.00 N ATOM 512 CA GLN A 33 -4.695 1.323 12.856 1.00 0.00 C ATOM 513 C GLN A 33 -5.760 2.235 12.162 1.00 0.00 C ATOM 514 O GLN A 33 -6.877 2.325 12.673 1.00 0.00 O ATOM 515 CB GLN A 33 -3.554 2.112 13.550 1.00 0.00 C ATOM 516 CG GLN A 33 -4.015 3.065 14.672 1.00 0.00 C ATOM 517 CD GLN A 33 -2.859 3.777 15.362 1.00 0.00 C ATOM 518 OE1 GLN A 33 -2.050 4.464 14.751 1.00 0.00 O ATOM 519 NE2 GLN A 33 -2.737 3.662 16.658 1.00 0.00 N ATOM 0 H GLN A 33 -3.048 0.568 11.766 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.318 0.798 13.580 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.841 1.401 13.967 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.022 2.692 12.796 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.694 3.808 14.254 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.579 2.499 15.413 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.401 3.094 17.184 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.978 4.140 17.143 1.00 0.00 H new ATOM 528 N ARG A 34 -5.431 2.914 11.053 1.00 0.00 N ATOM 529 CA ARG A 34 -6.385 3.825 10.360 1.00 0.00 C ATOM 530 C ARG A 34 -7.445 3.118 9.437 1.00 0.00 C ATOM 531 O ARG A 34 -8.602 3.540 9.446 1.00 0.00 O ATOM 532 CB ARG A 34 -5.609 4.913 9.567 1.00 0.00 C ATOM 533 CG ARG A 34 -4.818 5.909 10.443 1.00 0.00 C ATOM 534 CD ARG A 34 -4.276 7.092 9.627 1.00 0.00 C ATOM 535 NE ARG A 34 -3.424 7.929 10.505 1.00 0.00 N ATOM 536 CZ ARG A 34 -2.836 9.061 10.152 1.00 0.00 C ATOM 537 NH1 ARG A 34 -2.951 9.621 8.983 1.00 0.00 N ATOM 538 NH2 ARG A 34 -2.094 9.646 11.027 1.00 0.00 N ATOM 0 H ARG A 34 -4.515 2.857 10.609 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.973 4.280 11.157 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.916 4.421 8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.317 5.471 8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.463 6.283 11.238 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.988 5.390 10.923 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.699 6.730 8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.100 7.683 9.226 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.279 7.605 11.461 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.527 9.185 8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.465 10.496 8.787 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.977 9.235 11.953 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.623 10.520 10.794 1.00 0.00 H new ATOM 551 N LEU A 35 -7.076 2.086 8.661 1.00 0.00 N ATOM 552 CA LEU A 35 -8.061 1.283 7.876 1.00 0.00 C ATOM 553 C LEU A 35 -8.758 0.089 8.643 1.00 0.00 C ATOM 554 O LEU A 35 -9.843 -0.327 8.229 1.00 0.00 O ATOM 555 CB LEU A 35 -7.397 0.711 6.593 1.00 0.00 C ATOM 556 CG LEU A 35 -6.788 1.723 5.602 1.00 0.00 C ATOM 557 CD1 LEU A 35 -6.047 0.952 4.501 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.835 2.632 4.957 1.00 0.00 C ATOM 0 H LEU A 35 -6.109 1.779 8.553 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.851 1.999 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.609 0.022 6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.144 0.124 6.059 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.110 2.364 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.611 1.657 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.255 0.351 4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.747 0.300 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.344 3.322 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.556 2.025 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.352 3.198 5.732 1.00 0.00 H new ATOM 570 N GLY A 36 -8.140 -0.468 9.696 1.00 0.00 N ATOM 571 CA GLY A 36 -8.739 -1.566 10.489 1.00 0.00 C ATOM 572 C GLY A 36 -8.412 -2.975 9.982 1.00 0.00 C ATOM 573 O GLY A 36 -9.244 -3.585 9.313 1.00 0.00 O ATOM 0 H GLY A 36 -7.219 -0.177 10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.399 -1.478 11.521 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.822 -1.440 10.498 1.00 0.00 H new ATOM 577 N PHE A 37 -7.231 -3.500 10.325 1.00 0.00 N ATOM 578 CA PHE A 37 -6.858 -4.902 10.006 1.00 0.00 C ATOM 579 C PHE A 37 -6.548 -5.679 11.330 1.00 0.00 C ATOM 580 O PHE A 37 -5.458 -5.569 11.898 1.00 0.00 O ATOM 581 CB PHE A 37 -5.639 -4.983 9.051 1.00 0.00 C ATOM 582 CG PHE A 37 -5.912 -4.595 7.594 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.324 -5.578 6.683 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.748 -3.279 7.132 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.547 -5.264 5.343 1.00 0.00 C ATOM 586 CE2 PHE A 37 -5.987 -2.960 5.793 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.381 -3.955 4.901 1.00 0.00 C ATOM 0 H PHE A 37 -6.508 -2.982 10.825 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.704 -5.359 9.493 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.852 -4.336 9.439 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.252 -6.002 9.070 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.471 -6.592 7.024 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.434 -2.506 7.818 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.848 -6.035 4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.866 -1.943 5.450 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.558 -3.710 3.864 1.00 0.00 H new ATOM 597 N ARG A 38 -7.493 -6.510 11.772 1.00 0.00 N ATOM 598 CA ARG A 38 -7.308 -7.374 12.972 1.00 0.00 C ATOM 599 C ARG A 38 -6.340 -8.615 12.806 1.00 0.00 C ATOM 600 O ARG A 38 -5.797 -9.094 13.802 1.00 0.00 O ATOM 601 CB ARG A 38 -8.700 -7.897 13.432 1.00 0.00 C ATOM 602 CG ARG A 38 -9.756 -6.824 13.788 1.00 0.00 C ATOM 603 CD ARG A 38 -10.995 -6.839 12.877 1.00 0.00 C ATOM 604 NE ARG A 38 -10.692 -6.292 11.531 1.00 0.00 N ATOM 605 CZ ARG A 38 -11.440 -6.455 10.449 1.00 0.00 C ATOM 606 NH1 ARG A 38 -12.540 -7.149 10.411 1.00 0.00 N ATOM 607 NH2 ARG A 38 -11.061 -5.880 9.360 1.00 0.00 N ATOM 0 H ARG A 38 -8.404 -6.614 11.324 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.823 -6.730 13.705 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.107 -8.527 12.641 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.554 -8.535 14.304 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.075 -6.971 14.820 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.291 -5.840 13.735 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.364 -7.860 12.780 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.792 -6.255 13.337 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.837 -5.745 11.430 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.880 -7.613 11.253 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.063 -7.229 9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.209 -5.320 9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.613 -5.985 8.509 1.00 0.00 H new ATOM 620 N SER A 39 -6.172 -9.136 11.581 1.00 0.00 N ATOM 621 CA SER A 39 -5.311 -10.314 11.312 1.00 0.00 C ATOM 622 C SER A 39 -3.893 -9.907 10.788 1.00 0.00 C ATOM 623 O SER A 39 -3.841 -9.177 9.789 1.00 0.00 O ATOM 624 CB SER A 39 -6.034 -11.208 10.272 1.00 0.00 C ATOM 625 OG SER A 39 -7.235 -11.758 10.814 1.00 0.00 O ATOM 0 H SER A 39 -6.624 -8.760 10.748 1.00 0.00 H new ATOM 0 HA SER A 39 -5.151 -10.854 12.245 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.268 -10.622 9.383 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.371 -12.014 9.957 1.00 0.00 H new ATOM 0 HG SER A 39 -7.673 -12.316 10.138 1.00 0.00 H new ATOM 631 N PRO A 40 -2.743 -10.361 11.370 1.00 0.00 N ATOM 632 CA PRO A 40 -1.366 -10.024 10.855 1.00 0.00 C ATOM 633 C PRO A 40 -1.062 -10.181 9.348 1.00 0.00 C ATOM 634 O PRO A 40 -0.559 -9.238 8.734 1.00 0.00 O ATOM 635 CB PRO A 40 -0.448 -10.875 11.773 1.00 0.00 C ATOM 636 CG PRO A 40 -1.218 -10.909 13.112 1.00 0.00 C ATOM 637 CD PRO A 40 -2.691 -11.040 12.686 1.00 0.00 C ATOM 0 HA PRO A 40 -1.212 -8.946 10.907 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.295 -11.877 11.371 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.537 -10.423 11.887 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.905 -11.749 13.732 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.049 -10.003 13.694 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.993 -12.084 12.609 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.359 -10.567 13.406 1.00 0.00 H new ATOM 645 N ASN A 41 -1.397 -11.331 8.740 1.00 0.00 N ATOM 646 CA ASN A 41 -1.336 -11.494 7.261 1.00 0.00 C ATOM 647 C ASN A 41 -2.721 -11.202 6.596 1.00 0.00 C ATOM 648 O ASN A 41 -3.432 -12.100 6.139 1.00 0.00 O ATOM 649 CB ASN A 41 -0.739 -12.888 6.966 1.00 0.00 C ATOM 650 CG ASN A 41 -0.368 -13.112 5.508 1.00 0.00 C ATOM 651 OD1 ASN A 41 -1.095 -13.734 4.745 1.00 0.00 O ATOM 652 ND2 ASN A 41 0.754 -12.612 5.056 1.00 0.00 N ATOM 0 H ASN A 41 -1.712 -12.163 9.239 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.678 -10.756 6.802 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.150 -13.028 7.581 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.458 -13.650 7.267 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.013 -12.743 4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.369 -12.091 5.682 1.00 0.00 H new ATOM 659 N ALA A 42 -3.046 -9.909 6.514 1.00 0.00 N ATOM 660 CA ALA A 42 -4.183 -9.390 5.713 1.00 0.00 C ATOM 661 C ALA A 42 -3.791 -8.173 4.810 1.00 0.00 C ATOM 662 O ALA A 42 -4.083 -8.190 3.614 1.00 0.00 O ATOM 663 CB ALA A 42 -5.343 -9.107 6.669 1.00 0.00 C ATOM 0 H ALA A 42 -2.529 -9.178 7.002 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.500 -10.143 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.194 -8.724 6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.629 -10.028 7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.034 -8.367 7.407 1.00 0.00 H new ATOM 669 N ALA A 43 -3.106 -7.149 5.352 1.00 0.00 N ATOM 670 CA ALA A 43 -2.542 -6.043 4.538 1.00 0.00 C ATOM 671 C ALA A 43 -1.369 -6.391 3.553 1.00 0.00 C ATOM 672 O ALA A 43 -1.314 -5.807 2.470 1.00 0.00 O ATOM 673 CB ALA A 43 -2.131 -4.937 5.523 1.00 0.00 C ATOM 0 H ALA A 43 -2.927 -7.060 6.352 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.325 -5.738 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.708 -4.097 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.006 -4.602 6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.387 -5.326 6.217 1.00 0.00 H new ATOM 679 N GLU A 44 -0.457 -7.316 3.903 1.00 0.00 N ATOM 680 CA GLU A 44 0.690 -7.701 3.032 1.00 0.00 C ATOM 681 C GLU A 44 0.318 -8.319 1.630 1.00 0.00 C ATOM 682 O GLU A 44 0.889 -7.901 0.623 1.00 0.00 O ATOM 683 CB GLU A 44 1.665 -8.667 3.759 1.00 0.00 C ATOM 684 CG GLU A 44 2.260 -8.198 5.101 1.00 0.00 C ATOM 685 CD GLU A 44 1.558 -8.763 6.325 1.00 0.00 C ATOM 686 OE1 GLU A 44 1.753 -9.898 6.749 1.00 0.00 O ATOM 687 OE2 GLU A 44 0.681 -7.884 6.886 1.00 0.00 O ATOM 0 H GLU A 44 -0.485 -7.820 4.789 1.00 0.00 H new ATOM 0 HA GLU A 44 1.168 -6.744 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.141 -9.606 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.491 -8.884 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.312 -8.480 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.220 -7.110 5.143 1.00 0.00 H new ATOM 695 N GLU A 45 -0.628 -9.264 1.569 1.00 0.00 N ATOM 696 CA GLU A 45 -1.229 -9.734 0.293 1.00 0.00 C ATOM 697 C GLU A 45 -2.009 -8.683 -0.570 1.00 0.00 C ATOM 698 O GLU A 45 -1.972 -8.800 -1.796 1.00 0.00 O ATOM 699 CB GLU A 45 -2.019 -11.049 0.503 1.00 0.00 C ATOM 700 CG GLU A 45 -3.207 -11.057 1.482 1.00 0.00 C ATOM 701 CD GLU A 45 -2.852 -11.370 2.929 1.00 0.00 C ATOM 702 OE1 GLU A 45 -2.005 -10.761 3.578 1.00 0.00 O ATOM 703 OE2 GLU A 45 -3.596 -12.390 3.436 1.00 0.00 O ATOM 0 H GLU A 45 -1.005 -9.730 2.395 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.365 -9.930 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.392 -11.368 -0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.312 -11.808 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.693 -10.082 1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.937 -11.790 1.137 1.00 0.00 H new ATOM 711 N HIS A 46 -2.627 -7.642 0.021 1.00 0.00 N ATOM 712 CA HIS A 46 -3.029 -6.426 -0.747 1.00 0.00 C ATOM 713 C HIS A 46 -1.827 -5.637 -1.386 1.00 0.00 C ATOM 714 O HIS A 46 -1.894 -5.350 -2.579 1.00 0.00 O ATOM 715 CB HIS A 46 -3.901 -5.473 0.102 1.00 0.00 C ATOM 716 CG HIS A 46 -5.316 -5.977 0.402 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.264 -6.202 -0.587 1.00 0.00 N ATOM 718 CD2 HIS A 46 -5.865 -6.223 1.673 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.313 -6.604 0.194 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.168 -6.651 1.552 1.00 0.00 N ATOM 0 H HIS A 46 -2.860 -7.608 1.013 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.622 -6.810 -1.578 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.391 -5.285 1.047 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.975 -4.517 -0.415 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.341 -6.095 2.608 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.252 -6.883 -0.261 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.836 -6.925 2.272 1.00 0.00 H new ATOM 728 N LEU A 47 -0.737 -5.350 -0.651 1.00 0.00 N ATOM 729 CA LEU A 47 0.528 -4.841 -1.259 1.00 0.00 C ATOM 730 C LEU A 47 1.163 -5.751 -2.387 1.00 0.00 C ATOM 731 O LEU A 47 1.557 -5.219 -3.424 1.00 0.00 O ATOM 732 CB LEU A 47 1.581 -4.515 -0.162 1.00 0.00 C ATOM 733 CG LEU A 47 1.429 -3.138 0.525 1.00 0.00 C ATOM 734 CD1 LEU A 47 0.381 -3.138 1.639 1.00 0.00 C ATOM 735 CD2 LEU A 47 2.773 -2.708 1.139 1.00 0.00 C ATOM 0 H LEU A 47 -0.696 -5.458 0.362 1.00 0.00 H new ATOM 0 HA LEU A 47 0.230 -3.929 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.533 -5.290 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.574 -4.570 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 47 1.104 -2.444 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.321 -2.144 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.590 -3.410 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.664 -3.860 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.659 -1.737 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.088 -3.445 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.526 -2.637 0.354 1.00 0.00 H new ATOM 747 N LYS A 48 1.217 -7.077 -2.210 1.00 0.00 N ATOM 748 CA LYS A 48 1.593 -8.029 -3.297 1.00 0.00 C ATOM 749 C LYS A 48 0.656 -8.011 -4.565 1.00 0.00 C ATOM 750 O LYS A 48 1.175 -7.947 -5.681 1.00 0.00 O ATOM 751 CB LYS A 48 1.693 -9.464 -2.720 1.00 0.00 C ATOM 752 CG LYS A 48 2.859 -9.680 -1.737 1.00 0.00 C ATOM 753 CD LYS A 48 2.794 -11.010 -0.971 1.00 0.00 C ATOM 754 CE LYS A 48 2.988 -12.256 -1.834 1.00 0.00 C ATOM 755 NZ LYS A 48 2.968 -13.451 -0.966 1.00 0.00 N ATOM 0 H LYS A 48 1.006 -7.531 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 48 2.561 -7.686 -3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.758 -9.703 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.797 -10.167 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.798 -9.636 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.872 -8.860 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.556 -11.002 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.828 -11.078 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.199 -12.322 -2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.934 -12.198 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.100 -14.304 -1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.736 -13.386 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.054 -13.506 -0.472 1.00 0.00 H new ATOM 768 N ALA A 49 -0.678 -8.020 -4.402 1.00 0.00 N ATOM 769 CA ALA A 49 -1.632 -7.740 -5.509 1.00 0.00 C ATOM 770 C ALA A 49 -1.494 -6.350 -6.225 1.00 0.00 C ATOM 771 O ALA A 49 -1.496 -6.307 -7.456 1.00 0.00 O ATOM 772 CB ALA A 49 -3.043 -7.939 -4.928 1.00 0.00 C ATOM 0 H ALA A 49 -1.131 -8.219 -3.510 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.403 -8.432 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.786 -7.745 -5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.149 -8.964 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.195 -7.249 -4.098 1.00 0.00 H new ATOM 778 N LEU A 50 -1.334 -5.253 -5.472 1.00 0.00 N ATOM 779 CA LEU A 50 -0.978 -3.918 -6.020 1.00 0.00 C ATOM 780 C LEU A 50 0.393 -3.838 -6.804 1.00 0.00 C ATOM 781 O LEU A 50 0.432 -3.230 -7.875 1.00 0.00 O ATOM 782 CB LEU A 50 -0.986 -2.896 -4.847 1.00 0.00 C ATOM 783 CG LEU A 50 -2.348 -2.599 -4.176 1.00 0.00 C ATOM 784 CD1 LEU A 50 -2.121 -1.849 -2.854 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.257 -1.765 -5.074 1.00 0.00 C ATOM 0 H LEU A 50 -1.447 -5.257 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.729 -3.688 -6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.303 -3.259 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.579 -1.955 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.838 -3.555 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.082 -1.641 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.516 -2.463 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.604 -0.910 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.202 -1.580 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.774 -0.814 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.445 -2.304 -6.002 1.00 0.00 H new ATOM 797 N ALA A 51 1.472 -4.456 -6.303 1.00 0.00 N ATOM 798 CA ALA A 51 2.754 -4.583 -7.044 1.00 0.00 C ATOM 799 C ALA A 51 2.744 -5.507 -8.305 1.00 0.00 C ATOM 800 O ALA A 51 3.234 -5.088 -9.355 1.00 0.00 O ATOM 801 CB ALA A 51 3.805 -5.030 -6.018 1.00 0.00 C ATOM 0 H ALA A 51 1.490 -4.883 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 51 2.979 -3.611 -7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.771 -5.139 -6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.883 -4.283 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.508 -5.985 -5.586 1.00 0.00 H new ATOM 807 N ARG A 52 2.171 -6.718 -8.221 1.00 0.00 N ATOM 808 CA ARG A 52 1.937 -7.599 -9.407 1.00 0.00 C ATOM 809 C ARG A 52 1.022 -7.004 -10.539 1.00 0.00 C ATOM 810 O ARG A 52 1.332 -7.174 -11.718 1.00 0.00 O ATOM 811 CB ARG A 52 1.395 -8.936 -8.839 1.00 0.00 C ATOM 812 CG ARG A 52 1.330 -10.092 -9.854 1.00 0.00 C ATOM 813 CD ARG A 52 0.687 -11.341 -9.233 1.00 0.00 C ATOM 814 NE ARG A 52 0.635 -12.447 -10.217 1.00 0.00 N ATOM 815 CZ ARG A 52 -0.308 -12.641 -11.126 1.00 0.00 C ATOM 816 NH1 ARG A 52 -1.333 -11.859 -11.303 1.00 0.00 N ATOM 817 NH2 ARG A 52 -0.191 -13.674 -11.888 1.00 0.00 N ATOM 0 H ARG A 52 1.854 -7.124 -7.341 1.00 0.00 H new ATOM 0 HA ARG A 52 2.879 -7.727 -9.941 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.025 -9.241 -8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.395 -8.766 -8.440 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.757 -9.781 -10.727 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.335 -10.332 -10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.257 -11.653 -8.358 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.320 -11.105 -8.890 1.00 0.00 H new ATOM 0 HE ARG A 52 1.398 -13.123 -10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.449 -11.031 -10.719 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.020 -12.074 -12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.605 -14.302 -11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.894 -13.863 -12.602 1.00 0.00 H new ATOM 830 N LYS A 53 -0.061 -6.302 -10.184 1.00 0.00 N ATOM 831 CA LYS A 53 -0.828 -5.448 -11.141 1.00 0.00 C ATOM 832 C LYS A 53 -0.071 -4.198 -11.732 1.00 0.00 C ATOM 833 O LYS A 53 -0.362 -3.807 -12.863 1.00 0.00 O ATOM 834 CB LYS A 53 -2.119 -5.070 -10.371 1.00 0.00 C ATOM 835 CG LYS A 53 -3.238 -4.439 -11.210 1.00 0.00 C ATOM 836 CD LYS A 53 -4.493 -4.112 -10.383 1.00 0.00 C ATOM 837 CE LYS A 53 -5.512 -5.243 -10.187 1.00 0.00 C ATOM 838 NZ LYS A 53 -5.107 -6.216 -9.151 1.00 0.00 N ATOM 0 H LYS A 53 -0.440 -6.300 -9.237 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.021 -6.007 -12.057 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.511 -5.968 -9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.853 -4.376 -9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.866 -3.525 -11.674 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.508 -5.120 -12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.171 -3.772 -9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.004 -3.275 -10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.476 -4.812 -9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.652 -5.766 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.947 -6.717 -8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.441 -6.902 -9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.648 -5.714 -8.364 1.00 0.00 H new ATOM 851 N GLY A 54 0.871 -3.596 -10.990 1.00 0.00 N ATOM 852 CA GLY A 54 1.772 -2.536 -11.516 1.00 0.00 C ATOM 853 C GLY A 54 1.658 -1.098 -10.966 1.00 0.00 C ATOM 854 O GLY A 54 2.202 -0.189 -11.594 1.00 0.00 O ATOM 0 H GLY A 54 1.037 -3.823 -10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.797 -2.868 -11.352 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.622 -2.486 -12.594 1.00 0.00 H new ATOM 858 N VAL A 55 1.021 -0.883 -9.813 1.00 0.00 N ATOM 859 CA VAL A 55 0.879 0.471 -9.192 1.00 0.00 C ATOM 860 C VAL A 55 1.920 0.835 -8.061 1.00 0.00 C ATOM 861 O VAL A 55 2.024 2.010 -7.707 1.00 0.00 O ATOM 862 CB VAL A 55 -0.585 0.753 -8.713 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.607 0.709 -9.867 1.00 0.00 C ATOM 864 CG2 VAL A 55 -1.097 -0.139 -7.577 1.00 0.00 C ATOM 0 H VAL A 55 0.584 -1.629 -9.271 1.00 0.00 H new ATOM 0 HA VAL A 55 1.125 1.142 -10.015 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.506 1.764 -8.313 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.605 0.911 -9.477 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.348 1.462 -10.611 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.591 -0.278 -10.329 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.119 0.143 -7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.076 -1.181 -7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.460 -0.014 -6.701 1.00 0.00 H new ATOM 874 N ILE A 56 2.674 -0.128 -7.513 1.00 0.00 N ATOM 875 CA ILE A 56 3.759 0.137 -6.526 1.00 0.00 C ATOM 876 C ILE A 56 5.039 -0.730 -6.815 1.00 0.00 C ATOM 877 O ILE A 56 4.968 -1.947 -7.003 1.00 0.00 O ATOM 878 CB ILE A 56 3.346 -0.034 -5.008 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.576 -1.336 -4.707 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.571 1.204 -4.525 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.463 -1.715 -3.234 1.00 0.00 C ATOM 0 H ILE A 56 2.558 -1.117 -7.734 1.00 0.00 H new ATOM 0 HA ILE A 56 3.980 1.195 -6.669 1.00 0.00 H new ATOM 0 HB ILE A 56 4.275 -0.120 -4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.570 -1.244 -5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.063 -2.155 -5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.293 1.074 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.199 2.089 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.671 1.328 -5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.903 -2.645 -3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.460 -1.848 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.945 -0.923 -2.693 1.00 0.00 H new ATOM 893 N GLU A 57 6.210 -0.089 -6.764 1.00 0.00 N ATOM 894 CA GLU A 57 7.519 -0.788 -6.770 1.00 0.00 C ATOM 895 C GLU A 57 7.953 -1.152 -5.315 1.00 0.00 C ATOM 896 O GLU A 57 8.316 -0.269 -4.531 1.00 0.00 O ATOM 897 CB GLU A 57 8.520 0.164 -7.476 1.00 0.00 C ATOM 898 CG GLU A 57 9.946 -0.382 -7.685 1.00 0.00 C ATOM 899 CD GLU A 57 10.068 -1.542 -8.654 1.00 0.00 C ATOM 900 OE1 GLU A 57 10.316 -1.416 -9.848 1.00 0.00 O ATOM 901 OE2 GLU A 57 9.875 -2.745 -8.049 1.00 0.00 O ATOM 0 H GLU A 57 6.288 0.927 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 57 7.473 -1.736 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.110 0.432 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.587 1.083 -6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.579 0.432 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.341 -0.696 -6.719 1.00 0.00 H new ATOM 909 N ILE A 58 7.913 -2.445 -4.971 1.00 0.00 N ATOM 910 CA ILE A 58 8.384 -2.941 -3.642 1.00 0.00 C ATOM 911 C ILE A 58 9.885 -3.379 -3.773 1.00 0.00 C ATOM 912 O ILE A 58 10.222 -4.316 -4.503 1.00 0.00 O ATOM 913 CB ILE A 58 7.472 -4.111 -3.091 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.997 -3.653 -2.896 1.00 0.00 C ATOM 915 CG2 ILE A 58 8.006 -4.645 -1.732 1.00 0.00 C ATOM 916 CD1 ILE A 58 5.006 -4.784 -2.607 1.00 0.00 C ATOM 0 H ILE A 58 7.561 -3.179 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 58 8.308 -2.137 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 58 7.504 -4.903 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.959 -2.937 -2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.673 -3.126 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.360 -5.448 -1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.019 -5.026 -1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.014 -3.836 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.005 -4.369 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.008 -5.490 -3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.298 -5.299 -1.692 1.00 0.00 H new ATOM 928 N VAL A 59 10.760 -2.729 -3.003 1.00 0.00 N ATOM 929 CA VAL A 59 12.194 -3.119 -2.881 1.00 0.00 C ATOM 930 C VAL A 59 12.304 -4.270 -1.817 1.00 0.00 C ATOM 931 O VAL A 59 12.313 -4.019 -0.609 1.00 0.00 O ATOM 932 CB VAL A 59 13.056 -1.864 -2.506 1.00 0.00 C ATOM 933 CG1 VAL A 59 14.560 -2.194 -2.358 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.969 -0.724 -3.551 1.00 0.00 C ATOM 0 H VAL A 59 10.509 -1.916 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 59 12.582 -3.493 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 59 12.630 -1.541 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.107 -1.288 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.694 -2.937 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.940 -2.590 -3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.589 0.113 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.322 -1.087 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.934 -0.394 -3.644 1.00 0.00 H new ATOM 944 N SER A 60 12.375 -5.524 -2.288 1.00 0.00 N ATOM 945 CA SER A 60 12.316 -6.723 -1.403 1.00 0.00 C ATOM 946 C SER A 60 13.573 -6.898 -0.488 1.00 0.00 C ATOM 947 O SER A 60 14.626 -7.375 -0.916 1.00 0.00 O ATOM 948 CB SER A 60 12.098 -7.967 -2.304 1.00 0.00 C ATOM 949 OG SER A 60 10.828 -7.921 -2.955 1.00 0.00 O ATOM 0 H SER A 60 12.474 -5.746 -3.279 1.00 0.00 H new ATOM 0 HA SER A 60 11.487 -6.593 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.890 -8.021 -3.051 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.167 -8.872 -1.701 1.00 0.00 H new ATOM 0 HG SER A 60 10.719 -8.717 -3.517 1.00 0.00 H new ATOM 955 N GLY A 61 13.436 -6.457 0.768 1.00 0.00 N ATOM 956 CA GLY A 61 14.601 -6.221 1.660 1.00 0.00 C ATOM 957 C GLY A 61 14.509 -4.930 2.497 1.00 0.00 C ATOM 958 O GLY A 61 14.623 -4.983 3.722 1.00 0.00 O ATOM 0 H GLY A 61 12.534 -6.253 1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.705 -7.071 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.506 -6.183 1.054 1.00 0.00 H new ATOM 962 N ALA A 62 14.326 -3.778 1.837 1.00 0.00 N ATOM 963 CA ALA A 62 14.133 -2.484 2.528 1.00 0.00 C ATOM 964 C ALA A 62 12.647 -2.230 2.937 1.00 0.00 C ATOM 965 O ALA A 62 11.769 -2.085 2.082 1.00 0.00 O ATOM 966 CB ALA A 62 14.642 -1.403 1.556 1.00 0.00 C ATOM 0 H ALA A 62 14.307 -3.710 0.819 1.00 0.00 H new ATOM 0 HA ALA A 62 14.684 -2.473 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.525 -0.420 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.695 -1.578 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.066 -1.445 0.631 1.00 0.00 H new ATOM 972 N SER A 63 12.386 -2.128 4.249 1.00 0.00 N ATOM 973 CA SER A 63 11.027 -1.821 4.789 1.00 0.00 C ATOM 974 C SER A 63 10.290 -0.547 4.256 1.00 0.00 C ATOM 975 O SER A 63 9.086 -0.595 4.002 1.00 0.00 O ATOM 976 CB SER A 63 11.119 -1.788 6.342 1.00 0.00 C ATOM 977 OG SER A 63 11.918 -0.711 6.842 1.00 0.00 O ATOM 0 H SER A 63 13.096 -2.253 4.971 1.00 0.00 H new ATOM 0 HA SER A 63 10.393 -2.623 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.114 -1.708 6.756 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.534 -2.732 6.694 1.00 0.00 H new ATOM 0 HG SER A 63 12.809 -1.046 7.076 1.00 0.00 H new ATOM 983 N ARG A 64 11.020 0.559 4.090 1.00 0.00 N ATOM 984 CA ARG A 64 10.479 1.821 3.518 1.00 0.00 C ATOM 985 C ARG A 64 10.911 2.113 2.035 1.00 0.00 C ATOM 986 O ARG A 64 11.119 3.269 1.658 1.00 0.00 O ATOM 987 CB ARG A 64 10.868 2.932 4.534 1.00 0.00 C ATOM 988 CG ARG A 64 9.928 2.958 5.767 1.00 0.00 C ATOM 989 CD ARG A 64 10.612 3.372 7.072 1.00 0.00 C ATOM 990 NE ARG A 64 11.456 2.261 7.587 1.00 0.00 N ATOM 991 CZ ARG A 64 12.184 2.307 8.692 1.00 0.00 C ATOM 992 NH1 ARG A 64 12.254 3.338 9.482 1.00 0.00 N ATOM 993 NH2 ARG A 64 12.869 1.260 9.005 1.00 0.00 N ATOM 0 H ARG A 64 12.006 0.617 4.345 1.00 0.00 H new ATOM 0 HA ARG A 64 9.397 1.758 3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.894 2.775 4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.839 3.902 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.106 3.645 5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.492 1.968 5.897 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.226 4.257 6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.861 3.642 7.815 1.00 0.00 H new ATOM 0 HE ARG A 64 11.476 1.396 7.047 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.726 4.183 9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.837 3.301 10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.838 0.433 8.408 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.442 1.259 9.849 1.00 0.00 H new ATOM 1006 N GLY A 65 10.915 1.083 1.173 1.00 0.00 N ATOM 1007 CA GLY A 65 10.988 1.247 -0.301 1.00 0.00 C ATOM 1008 C GLY A 65 9.753 0.680 -1.025 1.00 0.00 C ATOM 1009 O GLY A 65 9.824 -0.373 -1.653 1.00 0.00 O ATOM 0 H GLY A 65 10.868 0.109 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.090 2.306 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.883 0.749 -0.674 1.00 0.00 H new ATOM 1013 N ILE A 66 8.625 1.381 -0.904 1.00 0.00 N ATOM 1014 CA ILE A 66 7.310 0.947 -1.471 1.00 0.00 C ATOM 1015 C ILE A 66 6.759 2.205 -2.233 1.00 0.00 C ATOM 1016 O ILE A 66 6.164 3.101 -1.626 1.00 0.00 O ATOM 1017 CB ILE A 66 6.340 0.437 -0.340 1.00 0.00 C ATOM 1018 CG1 ILE A 66 6.894 -0.794 0.436 1.00 0.00 C ATOM 1019 CG2 ILE A 66 4.956 0.059 -0.924 1.00 0.00 C ATOM 1020 CD1 ILE A 66 6.256 -1.003 1.812 1.00 0.00 C ATOM 0 H ILE A 66 8.578 2.273 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 66 7.407 0.098 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 66 6.248 1.269 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.738 -1.690 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.971 -0.677 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.306 -0.290 -0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.510 0.933 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.077 -0.733 -1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.696 -1.880 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.435 -0.125 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.183 -1.153 1.696 1.00 0.00 H new ATOM 1032 N ARG A 67 7.037 2.302 -3.539 1.00 0.00 N ATOM 1033 CA ARG A 67 7.062 3.622 -4.241 1.00 0.00 C ATOM 1034 C ARG A 67 6.051 3.667 -5.425 1.00 0.00 C ATOM 1035 O ARG A 67 5.983 2.737 -6.232 1.00 0.00 O ATOM 1036 CB ARG A 67 8.517 3.925 -4.717 1.00 0.00 C ATOM 1037 CG ARG A 67 9.530 4.001 -3.554 1.00 0.00 C ATOM 1038 CD ARG A 67 10.925 4.482 -3.954 1.00 0.00 C ATOM 1039 NE ARG A 67 11.855 4.287 -2.811 1.00 0.00 N ATOM 1040 CZ ARG A 67 12.019 5.106 -1.784 1.00 0.00 C ATOM 1041 NH1 ARG A 67 11.384 6.230 -1.627 1.00 0.00 N ATOM 1042 NH2 ARG A 67 12.861 4.752 -0.874 1.00 0.00 N ATOM 0 H ARG A 67 7.247 1.503 -4.137 1.00 0.00 H new ATOM 0 HA ARG A 67 6.749 4.397 -3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.833 3.151 -5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.526 4.869 -5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.135 4.670 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.617 3.014 -3.100 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.278 3.929 -4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.893 5.534 -4.237 1.00 0.00 H new ATOM 0 HE ARG A 67 12.422 3.439 -2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.704 6.534 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.566 6.808 -0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.369 3.872 -0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.020 5.352 -0.065 1.00 0.00 H new ATOM 1055 N LEU A 68 5.260 4.745 -5.520 1.00 0.00 N ATOM 1056 CA LEU A 68 4.055 4.784 -6.386 1.00 0.00 C ATOM 1057 C LEU A 68 4.378 4.873 -7.928 1.00 0.00 C ATOM 1058 O LEU A 68 4.907 5.875 -8.417 1.00 0.00 O ATOM 1059 CB LEU A 68 3.108 5.956 -6.000 1.00 0.00 C ATOM 1060 CG LEU A 68 2.631 6.183 -4.551 1.00 0.00 C ATOM 1061 CD1 LEU A 68 2.288 4.922 -3.763 1.00 0.00 C ATOM 1062 CD2 LEU A 68 3.603 7.051 -3.742 1.00 0.00 C ATOM 0 H LEU A 68 5.428 5.611 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 68 3.559 3.830 -6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.602 6.875 -6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.212 5.850 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 68 1.691 6.717 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.965 5.197 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.486 4.384 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.168 4.283 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.220 7.180 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.578 6.565 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.703 8.026 -4.219 1.00 0.00 H new ATOM 1074 N LEU A 69 4.019 3.826 -8.675 1.00 0.00 N ATOM 1075 CA LEU A 69 4.119 3.807 -10.157 1.00 0.00 C ATOM 1076 C LEU A 69 2.772 4.334 -10.772 1.00 0.00 C ATOM 1077 O LEU A 69 1.838 3.574 -11.041 1.00 0.00 O ATOM 1078 CB LEU A 69 4.421 2.360 -10.622 1.00 0.00 C ATOM 1079 CG LEU A 69 5.790 1.764 -10.224 1.00 0.00 C ATOM 1080 CD1 LEU A 69 5.790 0.266 -10.574 1.00 0.00 C ATOM 1081 CD2 LEU A 69 6.964 2.443 -10.934 1.00 0.00 C ATOM 0 H LEU A 69 3.649 2.961 -8.280 1.00 0.00 H new ATOM 0 HA LEU A 69 4.927 4.456 -10.496 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.641 1.708 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.342 2.331 -11.709 1.00 0.00 H new ATOM 0 HG LEU A 69 5.924 1.927 -9.155 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.750 -0.172 -10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.992 -0.236 -10.026 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.628 0.143 -11.645 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.898 1.982 -10.614 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.853 2.328 -12.012 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.978 3.503 -10.682 1.00 0.00 H new ATOM 1093 N GLN A 70 2.697 5.666 -10.915 1.00 0.00 N ATOM 1094 CA GLN A 70 1.421 6.401 -11.158 1.00 0.00 C ATOM 1095 C GLN A 70 0.331 6.209 -10.055 1.00 0.00 C ATOM 1096 O GLN A 70 0.662 6.253 -8.866 1.00 0.00 O ATOM 1097 CB GLN A 70 1.071 6.517 -12.658 1.00 0.00 C ATOM 1098 CG GLN A 70 0.759 5.277 -13.508 1.00 0.00 C ATOM 1099 CD GLN A 70 -0.592 4.624 -13.305 1.00 0.00 C ATOM 1100 OE1 GLN A 70 -1.627 5.128 -13.726 1.00 0.00 O ATOM 1101 NE2 GLN A 70 -0.653 3.516 -12.619 1.00 0.00 N ATOM 0 H GLN A 70 3.514 6.275 -10.867 1.00 0.00 H new ATOM 0 HA GLN A 70 1.557 7.464 -10.957 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.206 7.177 -12.731 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.904 7.029 -13.139 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.845 5.556 -14.558 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.529 4.530 -13.312 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.202 3.088 -12.264 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.556 3.078 -12.438 1.00 0.00 H new ATOM 1110 N GLU A 71 -0.944 6.075 -10.424 1.00 0.00 N ATOM 1111 CA GLU A 71 -2.049 5.829 -9.455 1.00 0.00 C ATOM 1112 C GLU A 71 -2.913 4.577 -9.824 1.00 0.00 C ATOM 1113 O GLU A 71 -2.836 3.568 -9.121 1.00 0.00 O ATOM 1114 CB GLU A 71 -2.891 7.104 -9.198 1.00 0.00 C ATOM 1115 CG GLU A 71 -2.120 8.226 -8.470 1.00 0.00 C ATOM 1116 CD GLU A 71 -2.992 9.401 -8.071 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -3.333 9.635 -6.917 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -3.344 10.173 -9.134 1.00 0.00 O ATOM 0 H GLU A 71 -1.254 6.131 -11.394 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.581 5.580 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.254 7.486 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.767 6.836 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.651 7.813 -7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.318 8.582 -9.116 1.00 0.00 H new ATOM 1126 N GLU A 72 -3.727 4.632 -10.888 1.00 0.00 N ATOM 1127 CA GLU A 72 -4.563 3.487 -11.331 1.00 0.00 C ATOM 1128 C GLU A 72 -4.830 3.602 -12.852 1.00 0.00 C ATOM 1129 O GLU A 72 -5.820 4.120 -13.361 1.00 0.00 O ATOM 1130 CB GLU A 72 -5.818 3.255 -10.457 1.00 0.00 C ATOM 1131 CG GLU A 72 -6.887 4.351 -10.321 1.00 0.00 C ATOM 1132 CD GLU A 72 -6.523 5.526 -9.430 1.00 0.00 C ATOM 1133 OE1 GLU A 72 -6.120 6.602 -9.861 1.00 0.00 O ATOM 1134 OE2 GLU A 72 -6.691 5.243 -8.107 1.00 0.00 O ATOM 0 H GLU A 72 -3.830 5.464 -11.469 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.004 2.564 -11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.317 2.365 -10.840 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.471 3.018 -9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.117 4.732 -11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.799 3.896 -9.935 1.00 0.00 H new TER 1142 GLU A 72