USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 485 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 1 MET CE :methyl -163:sc= -4.29 (180deg=-3.77!) USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= -0.497 USER MOD Set 1.3: A 62 THR OG1 : rot 180:sc= -0.225 USER MOD Set 1.4: A 66 ASN : amide:sc= -8.04! C(o=-13!,f=-28!) USER MOD Single : A 1 MET N :NH3+ -148:sc= -0.0135 (180deg=-0.46) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.932 K(o=-0.93,f=-9.8!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0294 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00604) USER MOD Single : A 30 SER OG : rot -13:sc= -3.91! USER MOD Single : A 37 THR OG1 : rot 13:sc= 0.54 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.341 12.939 -3.204 1.00 0.00 N ATOM 2 CA MET A 1 11.450 11.980 -2.488 1.00 0.00 C ATOM 3 C MET A 1 10.896 10.940 -3.467 1.00 0.00 C ATOM 4 O MET A 1 10.543 11.253 -4.586 1.00 0.00 O ATOM 5 CB MET A 1 10.318 12.837 -1.919 1.00 0.00 C ATOM 6 CG MET A 1 10.838 13.644 -0.728 1.00 0.00 C ATOM 7 SD MET A 1 9.508 14.683 -0.077 1.00 0.00 S ATOM 8 CE MET A 1 8.586 13.372 0.763 1.00 0.00 C ATOM 0 H1 MET A 1 13.094 13.259 -2.562 1.00 0.00 H new ATOM 0 H2 MET A 1 12.766 12.469 -4.028 1.00 0.00 H new ATOM 0 H3 MET A 1 11.785 13.758 -3.522 1.00 0.00 H new ATOM 0 HA MET A 1 11.977 11.432 -1.707 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.935 13.508 -2.687 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.488 12.202 -1.607 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.202 12.972 0.049 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.681 14.263 -1.035 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.576 13.719 0.981 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.537 12.493 0.121 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.089 13.113 1.695 1.00 0.00 H new ATOM 20 N LYS A 2 10.818 9.706 -3.052 1.00 0.00 N ATOM 21 CA LYS A 2 10.287 8.647 -3.957 1.00 0.00 C ATOM 22 C LYS A 2 9.600 7.552 -3.140 1.00 0.00 C ATOM 23 O LYS A 2 9.739 7.483 -1.936 1.00 0.00 O ATOM 24 CB LYS A 2 11.515 8.091 -4.678 1.00 0.00 C ATOM 25 CG LYS A 2 12.267 9.235 -5.360 1.00 0.00 C ATOM 26 CD LYS A 2 13.325 8.661 -6.302 1.00 0.00 C ATOM 27 CE LYS A 2 12.813 8.717 -7.743 1.00 0.00 C ATOM 28 NZ LYS A 2 13.894 8.101 -8.560 1.00 0.00 N ATOM 0 H LYS A 2 11.099 9.385 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 2 9.545 9.033 -4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.169 7.584 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.211 7.350 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.570 9.861 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.739 9.872 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.252 9.227 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.552 7.631 -6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.876 8.170 -7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.620 9.744 -8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.616 8.103 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.771 8.647 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.051 7.122 -8.246 1.00 0.00 H new ATOM 42 N CYS A 3 8.857 6.694 -3.785 1.00 0.00 N ATOM 43 CA CYS A 3 8.160 5.607 -3.038 1.00 0.00 C ATOM 44 C CYS A 3 8.320 4.271 -3.769 1.00 0.00 C ATOM 45 O CYS A 3 8.074 4.169 -4.955 1.00 0.00 O ATOM 46 CB CYS A 3 6.691 6.029 -3.008 1.00 0.00 C ATOM 47 SG CYS A 3 5.780 4.973 -1.854 1.00 0.00 S ATOM 0 H CYS A 3 8.703 6.698 -4.793 1.00 0.00 H new ATOM 0 HA CYS A 3 8.567 5.469 -2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.608 7.073 -2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.259 5.952 -4.006 1.00 0.00 H new ATOM 52 N LYS A 4 8.732 3.248 -3.071 1.00 0.00 N ATOM 53 CA LYS A 4 8.908 1.918 -3.724 1.00 0.00 C ATOM 54 C LYS A 4 7.607 1.114 -3.654 1.00 0.00 C ATOM 55 O LYS A 4 7.011 0.972 -2.605 1.00 0.00 O ATOM 56 CB LYS A 4 10.008 1.226 -2.918 1.00 0.00 C ATOM 57 CG LYS A 4 10.357 -0.111 -3.573 1.00 0.00 C ATOM 58 CD LYS A 4 11.806 -0.477 -3.248 1.00 0.00 C ATOM 59 CE LYS A 4 12.515 -0.939 -4.522 1.00 0.00 C ATOM 60 NZ LYS A 4 13.476 -1.982 -4.069 1.00 0.00 N ATOM 0 H LYS A 4 8.955 3.275 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 4 9.167 2.008 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.892 1.861 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.675 1.065 -1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.685 -0.890 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.221 -0.045 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.323 0.384 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.833 -1.267 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.806 -1.342 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.031 -0.112 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.002 -2.349 -4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.143 -1.567 -3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.956 -2.760 -3.615 1.00 0.00 H new ATOM 74 N ILE A 5 7.162 0.582 -4.762 1.00 0.00 N ATOM 75 CA ILE A 5 5.900 -0.215 -4.748 1.00 0.00 C ATOM 76 C ILE A 5 6.217 -1.709 -4.849 1.00 0.00 C ATOM 77 O ILE A 5 6.834 -2.164 -5.796 1.00 0.00 O ATOM 78 CB ILE A 5 5.112 0.251 -5.972 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.602 1.675 -5.740 1.00 0.00 C ATOM 80 CG2 ILE A 5 3.921 -0.683 -6.196 1.00 0.00 C ATOM 81 CD1 ILE A 5 5.072 2.579 -6.880 1.00 0.00 C ATOM 0 H ILE A 5 7.615 0.664 -5.672 1.00 0.00 H new ATOM 0 HA ILE A 5 5.335 -0.071 -3.827 1.00 0.00 H new ATOM 0 HB ILE A 5 5.760 0.234 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.513 1.678 -5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.970 2.053 -4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.358 -0.352 -7.069 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.281 -1.699 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.274 -0.665 -5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.708 3.593 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.161 2.585 -6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.682 2.204 -7.826 1.00 0.00 H new ATOM 93 N CYS A 6 5.796 -2.474 -3.878 1.00 0.00 N ATOM 94 CA CYS A 6 6.064 -3.941 -3.904 1.00 0.00 C ATOM 95 C CYS A 6 4.847 -4.685 -4.459 1.00 0.00 C ATOM 96 O CYS A 6 4.045 -4.125 -5.180 1.00 0.00 O ATOM 97 CB CYS A 6 6.306 -4.321 -2.442 1.00 0.00 C ATOM 98 SG CYS A 6 7.771 -3.453 -1.829 1.00 0.00 S ATOM 0 H CYS A 6 5.276 -2.145 -3.065 1.00 0.00 H new ATOM 0 HA CYS A 6 6.912 -4.200 -4.538 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.436 -4.061 -1.838 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.445 -5.398 -2.353 1.00 0.00 H new ATOM 103 N ASN A 7 4.697 -5.942 -4.135 1.00 0.00 N ATOM 104 CA ASN A 7 3.524 -6.702 -4.655 1.00 0.00 C ATOM 105 C ASN A 7 3.500 -8.126 -4.086 1.00 0.00 C ATOM 106 O ASN A 7 4.522 -8.702 -3.771 1.00 0.00 O ATOM 107 CB ASN A 7 3.718 -6.735 -6.170 1.00 0.00 C ATOM 108 CG ASN A 7 4.846 -7.707 -6.521 1.00 0.00 C ATOM 109 OD1 ASN A 7 5.926 -7.628 -5.968 1.00 0.00 O ATOM 110 ND2 ASN A 7 4.642 -8.628 -7.422 1.00 0.00 N ATOM 0 H ASN A 7 5.331 -6.472 -3.537 1.00 0.00 H new ATOM 0 HA ASN A 7 2.580 -6.239 -4.369 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.794 -7.043 -6.659 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.956 -5.737 -6.538 1.00 0.00 H new ATOM 0 HD21 ASN A 7 5.388 -9.281 -7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.736 -8.695 -7.887 1.00 0.00 H new ATOM 117 N PHE A 8 2.331 -8.694 -3.963 1.00 0.00 N ATOM 118 CA PHE A 8 2.210 -10.083 -3.427 1.00 0.00 C ATOM 119 C PHE A 8 3.001 -10.240 -2.125 1.00 0.00 C ATOM 120 O PHE A 8 3.876 -11.077 -2.017 1.00 0.00 O ATOM 121 CB PHE A 8 2.800 -10.978 -4.517 1.00 0.00 C ATOM 122 CG PHE A 8 1.692 -11.753 -5.190 1.00 0.00 C ATOM 123 CD1 PHE A 8 1.211 -12.933 -4.609 1.00 0.00 C ATOM 124 CD2 PHE A 8 1.148 -11.293 -6.394 1.00 0.00 C ATOM 125 CE1 PHE A 8 0.185 -13.652 -5.233 1.00 0.00 C ATOM 126 CE2 PHE A 8 0.121 -12.012 -7.019 1.00 0.00 C ATOM 127 CZ PHE A 8 -0.359 -13.191 -6.437 1.00 0.00 C ATOM 0 H PHE A 8 1.446 -8.252 -4.213 1.00 0.00 H new ATOM 0 HA PHE A 8 1.176 -10.337 -3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.332 -10.372 -5.251 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.527 -11.665 -4.084 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.632 -13.288 -3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.520 -10.383 -6.842 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.187 -14.562 -4.786 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.300 -11.657 -7.948 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.151 -13.746 -6.918 1.00 0.00 H new ATOM 137 N ASP A 9 2.692 -9.458 -1.128 1.00 0.00 N ATOM 138 CA ASP A 9 3.409 -9.570 0.183 1.00 0.00 C ATOM 139 C ASP A 9 4.882 -9.133 0.080 1.00 0.00 C ATOM 140 O ASP A 9 5.389 -8.456 0.953 1.00 0.00 O ATOM 141 CB ASP A 9 3.325 -11.053 0.544 1.00 0.00 C ATOM 142 CG ASP A 9 2.647 -11.211 1.907 1.00 0.00 C ATOM 143 OD1 ASP A 9 1.499 -10.818 2.023 1.00 0.00 O ATOM 144 OD2 ASP A 9 3.288 -11.724 2.809 1.00 0.00 O ATOM 0 H ASP A 9 1.969 -8.739 -1.161 1.00 0.00 H new ATOM 0 HA ASP A 9 2.959 -8.920 0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.762 -11.592 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.324 -11.489 0.571 1.00 0.00 H new ATOM 149 N THR A 10 5.579 -9.511 -0.959 1.00 0.00 N ATOM 150 CA THR A 10 7.010 -9.108 -1.077 1.00 0.00 C ATOM 151 C THR A 10 7.166 -7.993 -2.112 1.00 0.00 C ATOM 152 O THR A 10 6.198 -7.458 -2.615 1.00 0.00 O ATOM 153 CB THR A 10 7.739 -10.372 -1.537 1.00 0.00 C ATOM 154 OG1 THR A 10 6.990 -11.000 -2.568 1.00 0.00 O ATOM 155 CG2 THR A 10 7.892 -11.334 -0.357 1.00 0.00 C ATOM 0 H THR A 10 5.221 -10.079 -1.727 1.00 0.00 H new ATOM 0 HA THR A 10 7.408 -8.724 -0.138 1.00 0.00 H new ATOM 0 HB THR A 10 8.726 -10.105 -1.915 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.457 -11.809 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.411 -12.234 -0.686 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.467 -10.852 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.907 -11.603 0.024 1.00 0.00 H new ATOM 163 N CYS A 11 8.379 -7.639 -2.434 1.00 0.00 N ATOM 164 CA CYS A 11 8.601 -6.558 -3.435 1.00 0.00 C ATOM 165 C CYS A 11 9.143 -7.146 -4.739 1.00 0.00 C ATOM 166 O CYS A 11 10.101 -6.653 -5.302 1.00 0.00 O ATOM 167 CB CYS A 11 9.633 -5.630 -2.794 1.00 0.00 C ATOM 168 SG CYS A 11 9.212 -3.910 -3.167 1.00 0.00 S ATOM 0 H CYS A 11 9.227 -8.052 -2.047 1.00 0.00 H new ATOM 0 HA CYS A 11 7.680 -6.032 -3.685 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.656 -5.784 -1.715 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.629 -5.862 -3.170 1.00 0.00 H new ATOM 173 N ARG A 12 8.540 -8.197 -5.225 1.00 0.00 N ATOM 174 CA ARG A 12 9.023 -8.809 -6.495 1.00 0.00 C ATOM 175 C ARG A 12 8.918 -7.795 -7.634 1.00 0.00 C ATOM 176 O ARG A 12 9.495 -7.965 -8.690 1.00 0.00 O ATOM 177 CB ARG A 12 8.095 -9.998 -6.742 1.00 0.00 C ATOM 178 CG ARG A 12 8.374 -11.088 -5.707 1.00 0.00 C ATOM 179 CD ARG A 12 8.532 -12.436 -6.414 1.00 0.00 C ATOM 180 NE ARG A 12 9.416 -13.235 -5.522 1.00 0.00 N ATOM 181 CZ ARG A 12 9.263 -14.529 -5.440 1.00 0.00 C ATOM 182 NH1 ARG A 12 8.142 -15.026 -4.992 1.00 0.00 N ATOM 183 NH2 ARG A 12 10.230 -15.325 -5.805 1.00 0.00 N ATOM 0 H ARG A 12 7.736 -8.657 -4.798 1.00 0.00 H new ATOM 0 HA ARG A 12 10.067 -9.118 -6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.054 -9.680 -6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.248 -10.389 -7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.279 -10.850 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.558 -11.137 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.567 -12.924 -6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.974 -12.314 -7.403 1.00 0.00 H new ATOM 0 HE ARG A 12 10.141 -12.772 -4.975 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.386 -14.403 -4.706 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.022 -16.037 -4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.106 -14.936 -6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.110 -16.336 -5.741 1.00 0.00 H new ATOM 197 N ALA A 13 8.185 -6.737 -7.423 1.00 0.00 N ATOM 198 CA ALA A 13 8.040 -5.703 -8.486 1.00 0.00 C ATOM 199 C ALA A 13 9.076 -4.596 -8.283 1.00 0.00 C ATOM 200 O ALA A 13 9.701 -4.136 -9.218 1.00 0.00 O ATOM 201 CB ALA A 13 6.624 -5.152 -8.312 1.00 0.00 C ATOM 0 H ALA A 13 7.679 -6.543 -6.559 1.00 0.00 H new ATOM 0 HA ALA A 13 8.198 -6.109 -9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.439 -4.382 -9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.902 -5.959 -8.435 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.521 -4.722 -7.316 1.00 0.00 H new ATOM 207 N GLY A 14 9.265 -4.165 -7.065 1.00 0.00 N ATOM 208 CA GLY A 14 10.264 -3.091 -6.802 1.00 0.00 C ATOM 209 C GLY A 14 9.989 -1.903 -7.723 1.00 0.00 C ATOM 210 O GLY A 14 10.898 -1.295 -8.254 1.00 0.00 O ATOM 0 H GLY A 14 8.771 -4.510 -6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.210 -2.777 -5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.273 -3.469 -6.969 1.00 0.00 H new ATOM 214 N GLU A 15 8.744 -1.563 -7.920 1.00 0.00 N ATOM 215 CA GLU A 15 8.422 -0.411 -8.810 1.00 0.00 C ATOM 216 C GLU A 15 8.421 0.890 -8.004 1.00 0.00 C ATOM 217 O GLU A 15 7.403 1.315 -7.495 1.00 0.00 O ATOM 218 CB GLU A 15 7.026 -0.709 -9.357 1.00 0.00 C ATOM 219 CG GLU A 15 7.138 -1.196 -10.804 1.00 0.00 C ATOM 220 CD GLU A 15 6.271 -2.442 -10.992 1.00 0.00 C ATOM 221 OE1 GLU A 15 5.395 -2.660 -10.172 1.00 0.00 O ATOM 222 OE2 GLU A 15 6.498 -3.157 -11.953 1.00 0.00 O ATOM 0 H GLU A 15 7.939 -2.031 -7.505 1.00 0.00 H new ATOM 0 HA GLU A 15 9.152 -0.288 -9.610 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.538 -1.466 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.407 0.187 -9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.818 -0.411 -11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.177 -1.424 -11.043 1.00 0.00 H new ATOM 229 N LEU A 16 9.553 1.524 -7.878 1.00 0.00 N ATOM 230 CA LEU A 16 9.609 2.791 -7.097 1.00 0.00 C ATOM 231 C LEU A 16 9.510 4.003 -8.026 1.00 0.00 C ATOM 232 O LEU A 16 9.960 3.974 -9.156 1.00 0.00 O ATOM 233 CB LEU A 16 10.967 2.763 -6.392 1.00 0.00 C ATOM 234 CG LEU A 16 11.259 4.138 -5.790 1.00 0.00 C ATOM 235 CD1 LEU A 16 11.847 3.968 -4.388 1.00 0.00 C ATOM 236 CD2 LEU A 16 12.263 4.877 -6.677 1.00 0.00 C ATOM 0 H LEU A 16 10.440 1.221 -8.281 1.00 0.00 H new ATOM 0 HA LEU A 16 8.783 2.872 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.966 2.004 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.750 2.490 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 16 10.334 4.712 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.055 4.948 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.133 3.439 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.772 3.395 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.473 5.858 -6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.187 4.302 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.845 4.998 -7.676 1.00 0.00 H new ATOM 248 N LYS A 17 8.926 5.070 -7.554 1.00 0.00 N ATOM 249 CA LYS A 17 8.793 6.288 -8.393 1.00 0.00 C ATOM 250 C LYS A 17 8.637 7.512 -7.488 1.00 0.00 C ATOM 251 O LYS A 17 9.328 7.652 -6.497 1.00 0.00 O ATOM 252 CB LYS A 17 7.530 6.059 -9.225 1.00 0.00 C ATOM 253 CG LYS A 17 7.594 6.911 -10.495 1.00 0.00 C ATOM 254 CD LYS A 17 8.089 6.052 -11.661 1.00 0.00 C ATOM 255 CE LYS A 17 7.045 4.982 -11.986 1.00 0.00 C ATOM 256 NZ LYS A 17 6.418 5.430 -13.261 1.00 0.00 N ATOM 0 H LYS A 17 8.533 5.148 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 17 9.661 6.464 -9.028 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.440 5.005 -9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.646 6.320 -8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.609 7.319 -10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.263 7.758 -10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.269 6.677 -12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.038 5.583 -11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.507 4.001 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.305 4.898 -11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.690 4.746 -13.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.981 6.364 -13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.145 5.494 -14.002 1.00 0.00 H new ATOM 270 N VAL A 18 7.739 8.397 -7.814 1.00 0.00 N ATOM 271 CA VAL A 18 7.548 9.606 -6.969 1.00 0.00 C ATOM 272 C VAL A 18 6.159 9.594 -6.326 1.00 0.00 C ATOM 273 O VAL A 18 5.220 9.041 -6.863 1.00 0.00 O ATOM 274 CB VAL A 18 7.681 10.767 -7.947 1.00 0.00 C ATOM 275 CG1 VAL A 18 9.112 10.810 -8.484 1.00 0.00 C ATOM 276 CG2 VAL A 18 6.707 10.557 -9.107 1.00 0.00 C ATOM 0 H VAL A 18 7.129 8.335 -8.629 1.00 0.00 H new ATOM 0 HA VAL A 18 8.265 9.667 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 18 7.453 11.706 -7.443 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.213 11.639 -9.184 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.807 10.948 -7.656 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.337 9.874 -8.995 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.796 11.384 -9.811 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.942 9.621 -9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.688 10.516 -8.723 1.00 0.00 H new ATOM 286 N CYS A 19 6.022 10.199 -5.178 1.00 0.00 N ATOM 287 CA CYS A 19 4.693 10.221 -4.502 1.00 0.00 C ATOM 288 C CYS A 19 4.643 11.349 -3.467 1.00 0.00 C ATOM 289 O CYS A 19 4.143 12.425 -3.731 1.00 0.00 O ATOM 290 CB CYS A 19 4.576 8.860 -3.817 1.00 0.00 C ATOM 291 SG CYS A 19 3.075 8.820 -2.808 1.00 0.00 S ATOM 0 H CYS A 19 6.771 10.679 -4.679 1.00 0.00 H new ATOM 0 HA CYS A 19 3.876 10.397 -5.202 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.546 8.066 -4.564 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.451 8.678 -3.193 1.00 0.00 H new ATOM 296 N ALA A 20 5.156 11.111 -2.291 1.00 0.00 N ATOM 297 CA ALA A 20 5.135 12.169 -1.241 1.00 0.00 C ATOM 298 C ALA A 20 5.930 13.391 -1.706 1.00 0.00 C ATOM 299 O ALA A 20 7.130 13.468 -1.531 1.00 0.00 O ATOM 300 CB ALA A 20 5.800 11.529 -0.021 1.00 0.00 C ATOM 0 H ALA A 20 5.589 10.230 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 20 4.124 12.513 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.824 12.247 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.233 10.649 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.818 11.234 -0.274 1.00 0.00 H new ATOM 306 N SER A 21 5.269 14.349 -2.297 1.00 0.00 N ATOM 307 CA SER A 21 5.985 15.567 -2.773 1.00 0.00 C ATOM 308 C SER A 21 5.525 16.793 -1.979 1.00 0.00 C ATOM 309 O SER A 21 6.160 17.828 -1.991 1.00 0.00 O ATOM 310 CB SER A 21 5.598 15.705 -4.244 1.00 0.00 C ATOM 311 OG SER A 21 6.734 15.438 -5.056 1.00 0.00 O ATOM 0 H SER A 21 4.264 14.341 -2.471 1.00 0.00 H new ATOM 0 HA SER A 21 7.064 15.490 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.792 15.012 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.224 16.710 -4.441 1.00 0.00 H new ATOM 0 HG SER A 21 6.488 15.524 -6.001 1.00 0.00 H new ATOM 317 N GLY A 22 4.424 16.682 -1.288 1.00 0.00 N ATOM 318 CA GLY A 22 3.921 17.837 -0.493 1.00 0.00 C ATOM 319 C GLY A 22 3.143 17.322 0.720 1.00 0.00 C ATOM 320 O GLY A 22 3.597 17.413 1.843 1.00 0.00 O ATOM 0 H GLY A 22 3.850 15.840 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.755 18.458 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.279 18.465 -1.110 1.00 0.00 H new ATOM 324 N GLU A 23 1.976 16.781 0.501 1.00 0.00 N ATOM 325 CA GLU A 23 1.171 16.259 1.643 1.00 0.00 C ATOM 326 C GLU A 23 0.450 14.972 1.235 1.00 0.00 C ATOM 327 O GLU A 23 -0.749 14.957 1.040 1.00 0.00 O ATOM 328 CB GLU A 23 0.161 17.363 1.954 1.00 0.00 C ATOM 329 CG GLU A 23 -0.535 17.798 0.663 1.00 0.00 C ATOM 330 CD GLU A 23 -2.000 18.126 0.957 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.695 17.251 1.446 1.00 0.00 O ATOM 332 OE2 GLU A 23 -2.402 19.245 0.686 1.00 0.00 O ATOM 0 H GLU A 23 1.545 16.678 -0.418 1.00 0.00 H new ATOM 0 HA GLU A 23 1.789 16.017 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.575 17.005 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.666 18.214 2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.033 18.670 0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.472 17.005 -0.082 1.00 0.00 H new ATOM 339 N LYS A 24 1.170 13.893 1.106 1.00 0.00 N ATOM 340 CA LYS A 24 0.523 12.609 0.710 1.00 0.00 C ATOM 341 C LYS A 24 1.415 11.426 1.094 1.00 0.00 C ATOM 342 O LYS A 24 2.585 11.387 0.770 1.00 0.00 O ATOM 343 CB LYS A 24 0.370 12.694 -0.809 1.00 0.00 C ATOM 344 CG LYS A 24 1.708 13.091 -1.435 1.00 0.00 C ATOM 345 CD LYS A 24 1.491 14.250 -2.411 1.00 0.00 C ATOM 346 CE LYS A 24 1.320 13.698 -3.827 1.00 0.00 C ATOM 347 NZ LYS A 24 -0.057 14.099 -4.231 1.00 0.00 N ATOM 0 H LYS A 24 2.178 13.843 1.257 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.435 12.459 1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.041 11.734 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.396 13.425 -1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.413 13.384 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.145 12.239 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.609 14.822 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.339 14.933 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.067 14.111 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.437 12.615 -3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.250 13.756 -5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.747 13.686 -3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.137 15.136 -4.210 1.00 0.00 H new ATOM 361 N TYR A 25 0.870 10.459 1.780 1.00 0.00 N ATOM 362 CA TYR A 25 1.685 9.280 2.182 1.00 0.00 C ATOM 363 C TYR A 25 1.328 8.078 1.306 1.00 0.00 C ATOM 364 O TYR A 25 0.184 7.879 0.949 1.00 0.00 O ATOM 365 CB TYR A 25 1.301 9.012 3.638 1.00 0.00 C ATOM 366 CG TYR A 25 1.551 10.246 4.475 1.00 0.00 C ATOM 367 CD1 TYR A 25 2.405 11.255 4.012 1.00 0.00 C ATOM 368 CD2 TYR A 25 0.926 10.378 5.722 1.00 0.00 C ATOM 369 CE1 TYR A 25 2.633 12.393 4.794 1.00 0.00 C ATOM 370 CE2 TYR A 25 1.155 11.516 6.503 1.00 0.00 C ATOM 371 CZ TYR A 25 2.008 12.524 6.039 1.00 0.00 C ATOM 372 OH TYR A 25 2.233 13.646 6.811 1.00 0.00 O ATOM 0 H TYR A 25 -0.105 10.435 2.079 1.00 0.00 H new ATOM 0 HA TYR A 25 2.755 9.455 2.069 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.250 8.728 3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.881 8.175 4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.888 11.155 3.051 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.267 9.601 6.081 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.292 13.171 4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.673 11.617 7.464 1.00 0.00 H new ATOM 0 HH TYR A 25 1.722 13.578 7.644 1.00 0.00 H new ATOM 382 N CYS A 26 2.292 7.269 0.963 1.00 0.00 N ATOM 383 CA CYS A 26 1.989 6.080 0.119 1.00 0.00 C ATOM 384 C CYS A 26 1.025 5.157 0.866 1.00 0.00 C ATOM 385 O CYS A 26 1.401 4.468 1.794 1.00 0.00 O ATOM 386 CB CYS A 26 3.336 5.395 -0.111 1.00 0.00 C ATOM 387 SG CYS A 26 3.943 5.810 -1.765 1.00 0.00 S ATOM 0 H CYS A 26 3.271 7.379 1.229 1.00 0.00 H new ATOM 0 HA CYS A 26 1.514 6.344 -0.826 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.054 5.716 0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.230 4.315 -0.010 1.00 0.00 H new ATOM 392 N PHE A 27 -0.220 5.153 0.479 1.00 0.00 N ATOM 393 CA PHE A 27 -1.218 4.291 1.173 1.00 0.00 C ATOM 394 C PHE A 27 -1.107 2.841 0.694 1.00 0.00 C ATOM 395 O PHE A 27 -1.046 2.567 -0.487 1.00 0.00 O ATOM 396 CB PHE A 27 -2.577 4.878 0.789 1.00 0.00 C ATOM 397 CG PHE A 27 -3.674 3.935 1.224 1.00 0.00 C ATOM 398 CD1 PHE A 27 -3.527 3.182 2.394 1.00 0.00 C ATOM 399 CD2 PHE A 27 -4.838 3.816 0.456 1.00 0.00 C ATOM 400 CE1 PHE A 27 -4.543 2.309 2.797 1.00 0.00 C ATOM 401 CE2 PHE A 27 -5.855 2.942 0.858 1.00 0.00 C ATOM 402 CZ PHE A 27 -5.708 2.188 2.029 1.00 0.00 C ATOM 0 H PHE A 27 -0.591 5.711 -0.290 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.065 4.275 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.711 5.851 1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.625 5.037 -0.288 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.629 3.275 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.952 4.398 -0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.429 1.728 3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.753 2.849 0.265 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.492 1.514 2.340 1.00 0.00 H new ATOM 412 N LYS A 28 -1.088 1.912 1.610 1.00 0.00 N ATOM 413 CA LYS A 28 -0.992 0.476 1.220 1.00 0.00 C ATOM 414 C LYS A 28 -2.207 -0.287 1.755 1.00 0.00 C ATOM 415 O LYS A 28 -2.479 -0.288 2.940 1.00 0.00 O ATOM 416 CB LYS A 28 0.294 -0.029 1.877 1.00 0.00 C ATOM 417 CG LYS A 28 1.314 -0.389 0.795 1.00 0.00 C ATOM 418 CD LYS A 28 2.714 -0.436 1.407 1.00 0.00 C ATOM 419 CE LYS A 28 3.742 -0.718 0.309 1.00 0.00 C ATOM 420 NZ LYS A 28 3.747 -2.200 0.155 1.00 0.00 N ATOM 0 H LYS A 28 -1.135 2.086 2.614 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.974 0.336 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.703 0.737 2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.081 -0.901 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.066 -1.354 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.282 0.346 -0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.940 0.511 1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.762 -1.211 2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.468 -0.225 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.728 -0.347 0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.477 -2.475 -0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.952 -2.644 1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.816 -2.517 -0.183 1.00 0.00 H new ATOM 434 N GLU A 29 -2.947 -0.927 0.891 1.00 0.00 N ATOM 435 CA GLU A 29 -4.148 -1.678 1.356 1.00 0.00 C ATOM 436 C GLU A 29 -4.038 -3.157 0.977 1.00 0.00 C ATOM 437 O GLU A 29 -3.932 -3.506 -0.182 1.00 0.00 O ATOM 438 CB GLU A 29 -5.323 -1.026 0.626 1.00 0.00 C ATOM 439 CG GLU A 29 -6.609 -1.796 0.932 1.00 0.00 C ATOM 440 CD GLU A 29 -7.777 -1.155 0.180 1.00 0.00 C ATOM 441 OE1 GLU A 29 -7.834 0.063 0.145 1.00 0.00 O ATOM 442 OE2 GLU A 29 -8.594 -1.892 -0.347 1.00 0.00 O ATOM 0 H GLU A 29 -2.773 -0.962 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.262 -1.640 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.427 0.013 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.138 -1.019 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.500 -2.839 0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.804 -1.788 2.004 1.00 0.00 H new ATOM 449 N SER A 30 -4.065 -4.030 1.948 1.00 0.00 N ATOM 450 CA SER A 30 -3.968 -5.487 1.644 1.00 0.00 C ATOM 451 C SER A 30 -5.363 -6.118 1.661 1.00 0.00 C ATOM 452 O SER A 30 -5.978 -6.262 2.698 1.00 0.00 O ATOM 453 CB SER A 30 -3.099 -6.069 2.759 1.00 0.00 C ATOM 454 OG SER A 30 -3.933 -6.663 3.744 1.00 0.00 O ATOM 0 H SER A 30 -4.150 -3.798 2.938 1.00 0.00 H new ATOM 0 HA SER A 30 -3.543 -5.679 0.659 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.413 -6.812 2.351 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.489 -5.285 3.207 1.00 0.00 H new ATOM 0 HG SER A 30 -4.861 -6.384 3.598 1.00 0.00 H new ATOM 460 N TRP A 31 -5.868 -6.491 0.517 1.00 0.00 N ATOM 461 CA TRP A 31 -7.224 -7.107 0.466 1.00 0.00 C ATOM 462 C TRP A 31 -7.142 -8.597 0.812 1.00 0.00 C ATOM 463 O TRP A 31 -6.441 -9.357 0.174 1.00 0.00 O ATOM 464 CB TRP A 31 -7.692 -6.908 -0.978 1.00 0.00 C ATOM 465 CG TRP A 31 -8.832 -7.830 -1.273 1.00 0.00 C ATOM 466 CD1 TRP A 31 -10.120 -7.613 -0.920 1.00 0.00 C ATOM 467 CD2 TRP A 31 -8.808 -9.107 -1.974 1.00 0.00 C ATOM 468 NE1 TRP A 31 -10.888 -8.675 -1.361 1.00 0.00 N ATOM 469 CE2 TRP A 31 -10.125 -9.622 -2.015 1.00 0.00 C ATOM 470 CE3 TRP A 31 -7.783 -9.860 -2.571 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -10.414 -10.842 -2.629 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -8.070 -11.089 -3.189 1.00 0.00 C ATOM 473 CH2 TRP A 31 -9.383 -11.578 -3.217 1.00 0.00 C ATOM 0 H TRP A 31 -5.400 -6.396 -0.384 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.913 -6.657 1.181 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -8.000 -5.874 -1.131 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.869 -7.101 -1.666 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -10.488 -6.752 -0.382 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -11.895 -8.750 -1.220 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -6.768 -9.492 -2.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -11.428 -11.214 -2.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.274 -11.660 -3.645 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -9.597 -12.523 -3.693 1.00 0.00 H new ATOM 484 N ARG A 32 -7.859 -9.019 1.818 1.00 0.00 N ATOM 485 CA ARG A 32 -7.827 -10.459 2.205 1.00 0.00 C ATOM 486 C ARG A 32 -9.146 -11.135 1.819 1.00 0.00 C ATOM 487 O ARG A 32 -10.150 -10.483 1.611 1.00 0.00 O ATOM 488 CB ARG A 32 -7.646 -10.458 3.722 1.00 0.00 C ATOM 489 CG ARG A 32 -6.155 -10.392 4.058 1.00 0.00 C ATOM 490 CD ARG A 32 -5.743 -11.661 4.807 1.00 0.00 C ATOM 491 NE ARG A 32 -5.087 -11.176 6.052 1.00 0.00 N ATOM 492 CZ ARG A 32 -4.980 -11.967 7.085 1.00 0.00 C ATOM 493 NH1 ARG A 32 -5.036 -13.261 6.923 1.00 0.00 N ATOM 494 NH2 ARG A 32 -4.818 -11.465 8.278 1.00 0.00 N ATOM 0 H ARG A 32 -8.465 -8.430 2.388 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.030 -11.007 1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.166 -9.607 4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.087 -11.357 4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.570 -10.290 3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.948 -9.513 4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.608 -12.284 5.033 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.060 -12.267 4.211 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.721 -10.225 6.098 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.163 -13.653 5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.952 -13.880 7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.775 -10.454 8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.735 -12.084 9.085 1.00 0.00 H new ATOM 508 N GLU A 33 -9.151 -12.436 1.720 1.00 0.00 N ATOM 509 CA GLU A 33 -10.408 -13.147 1.345 1.00 0.00 C ATOM 510 C GLU A 33 -10.231 -14.657 1.512 1.00 0.00 C ATOM 511 O GLU A 33 -9.317 -15.117 2.167 1.00 0.00 O ATOM 512 CB GLU A 33 -10.638 -12.791 -0.124 1.00 0.00 C ATOM 513 CG GLU A 33 -12.033 -12.186 -0.291 1.00 0.00 C ATOM 514 CD GLU A 33 -12.882 -13.095 -1.181 1.00 0.00 C ATOM 515 OE1 GLU A 33 -12.567 -13.205 -2.354 1.00 0.00 O ATOM 516 OE2 GLU A 33 -13.833 -13.668 -0.675 1.00 0.00 O ATOM 0 H GLU A 33 -8.343 -13.037 1.882 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.251 -12.857 1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.881 -12.083 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.540 -13.682 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.508 -12.067 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.959 -11.193 -0.733 1.00 0.00 H new ATOM 523 N ALA A 34 -11.100 -15.434 0.926 1.00 0.00 N ATOM 524 CA ALA A 34 -10.981 -16.915 1.051 1.00 0.00 C ATOM 525 C ALA A 34 -10.348 -17.505 -0.211 1.00 0.00 C ATOM 526 O ALA A 34 -9.636 -18.489 -0.159 1.00 0.00 O ATOM 527 CB ALA A 34 -12.418 -17.414 1.215 1.00 0.00 C ATOM 0 H ALA A 34 -11.888 -15.108 0.366 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.348 -17.209 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.417 -18.500 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.858 -16.969 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.004 -17.130 0.341 1.00 0.00 H new ATOM 533 N ARG A 35 -10.601 -16.912 -1.347 1.00 0.00 N ATOM 534 CA ARG A 35 -10.012 -17.443 -2.611 1.00 0.00 C ATOM 535 C ARG A 35 -8.522 -17.098 -2.686 1.00 0.00 C ATOM 536 O ARG A 35 -7.718 -17.881 -3.153 1.00 0.00 O ATOM 537 CB ARG A 35 -10.780 -16.743 -3.732 1.00 0.00 C ATOM 538 CG ARG A 35 -12.270 -17.073 -3.615 1.00 0.00 C ATOM 539 CD ARG A 35 -12.998 -16.602 -4.876 1.00 0.00 C ATOM 540 NE ARG A 35 -14.191 -15.862 -4.378 1.00 0.00 N ATOM 541 CZ ARG A 35 -15.391 -16.302 -4.644 1.00 0.00 C ATOM 542 NH1 ARG A 35 -15.941 -17.203 -3.877 1.00 0.00 N ATOM 543 NH2 ARG A 35 -16.039 -15.841 -5.679 1.00 0.00 N ATOM 0 H ARG A 35 -11.188 -16.085 -1.455 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.091 -18.528 -2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.630 -15.665 -3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.401 -17.064 -4.702 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.406 -18.146 -3.483 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.693 -16.588 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.360 -15.960 -5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.289 -17.445 -5.502 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.070 -15.011 -3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.433 -17.564 -3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.879 -17.546 -4.085 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.608 -15.138 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.977 -16.184 -5.888 1.00 0.00 H new ATOM 557 N GLY A 36 -8.147 -15.934 -2.231 1.00 0.00 N ATOM 558 CA GLY A 36 -6.709 -15.544 -2.279 1.00 0.00 C ATOM 559 C GLY A 36 -6.513 -14.211 -1.553 1.00 0.00 C ATOM 560 O GLY A 36 -7.312 -13.820 -0.726 1.00 0.00 O ATOM 0 H GLY A 36 -8.773 -15.237 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.097 -16.316 -1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.380 -15.457 -3.314 1.00 0.00 H new ATOM 564 N THR A 37 -5.454 -13.511 -1.857 1.00 0.00 N ATOM 565 CA THR A 37 -5.204 -12.204 -1.185 1.00 0.00 C ATOM 566 C THR A 37 -4.371 -11.293 -2.092 1.00 0.00 C ATOM 567 O THR A 37 -3.531 -11.748 -2.842 1.00 0.00 O ATOM 568 CB THR A 37 -4.425 -12.553 0.085 1.00 0.00 C ATOM 569 OG1 THR A 37 -5.311 -13.116 1.042 1.00 0.00 O ATOM 570 CG2 THR A 37 -3.785 -11.288 0.659 1.00 0.00 C ATOM 0 H THR A 37 -4.751 -13.788 -2.542 1.00 0.00 H new ATOM 0 HA THR A 37 -6.129 -11.671 -0.963 1.00 0.00 H new ATOM 0 HB THR A 37 -3.643 -13.274 -0.155 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.163 -13.334 0.610 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.231 -11.539 1.563 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.104 -10.859 -0.076 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.563 -10.564 0.900 1.00 0.00 H new ATOM 578 N ARG A 38 -4.599 -10.009 -2.030 1.00 0.00 N ATOM 579 CA ARG A 38 -3.821 -9.071 -2.890 1.00 0.00 C ATOM 580 C ARG A 38 -3.450 -7.813 -2.101 1.00 0.00 C ATOM 581 O ARG A 38 -3.932 -7.589 -1.007 1.00 0.00 O ATOM 582 CB ARG A 38 -4.758 -8.721 -4.045 1.00 0.00 C ATOM 583 CG ARG A 38 -3.933 -8.257 -5.248 1.00 0.00 C ATOM 584 CD ARG A 38 -4.782 -8.351 -6.517 1.00 0.00 C ATOM 585 NE ARG A 38 -3.828 -8.751 -7.587 1.00 0.00 N ATOM 586 CZ ARG A 38 -3.970 -9.898 -8.191 1.00 0.00 C ATOM 587 NH1 ARG A 38 -5.164 -10.381 -8.399 1.00 0.00 N ATOM 588 NH2 ARG A 38 -2.919 -10.562 -8.587 1.00 0.00 N ATOM 0 H ARG A 38 -5.290 -9.569 -1.422 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.888 -9.512 -3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.359 -9.589 -4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.450 -7.936 -3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.597 -7.231 -5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.040 -8.873 -5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.580 -9.085 -6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.256 -7.397 -6.747 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.063 -8.128 -7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.985 -9.862 -8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.276 -11.278 -8.871 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.986 -10.184 -8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.031 -11.459 -9.059 1.00 0.00 H new ATOM 602 N ILE A 39 -2.595 -6.990 -2.644 1.00 0.00 N ATOM 603 CA ILE A 39 -2.195 -5.748 -1.921 1.00 0.00 C ATOM 604 C ILE A 39 -2.064 -4.581 -2.905 1.00 0.00 C ATOM 605 O ILE A 39 -1.325 -4.647 -3.867 1.00 0.00 O ATOM 606 CB ILE A 39 -0.839 -6.075 -1.297 1.00 0.00 C ATOM 607 CG1 ILE A 39 -0.408 -4.926 -0.383 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.202 -6.262 -2.402 1.00 0.00 C ATOM 609 CD1 ILE A 39 0.865 -5.320 0.369 1.00 0.00 C ATOM 0 H ILE A 39 -2.156 -7.123 -3.555 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.929 -5.451 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.921 -6.993 -0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.231 -4.026 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.203 -4.693 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.169 -6.495 -1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.103 -7.080 -3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.283 -5.344 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.171 -4.501 1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.672 -6.209 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.660 -5.531 -0.347 1.00 0.00 H new ATOM 621 N GLU A 40 -2.777 -3.513 -2.670 1.00 0.00 N ATOM 622 CA GLU A 40 -2.693 -2.343 -3.589 1.00 0.00 C ATOM 623 C GLU A 40 -1.956 -1.189 -2.905 1.00 0.00 C ATOM 624 O GLU A 40 -1.959 -1.069 -1.696 1.00 0.00 O ATOM 625 CB GLU A 40 -4.145 -1.960 -3.876 1.00 0.00 C ATOM 626 CG GLU A 40 -4.273 -1.491 -5.327 1.00 0.00 C ATOM 627 CD GLU A 40 -5.408 -0.472 -5.435 1.00 0.00 C ATOM 628 OE1 GLU A 40 -5.153 0.698 -5.197 1.00 0.00 O ATOM 629 OE2 GLU A 40 -6.513 -0.877 -5.754 1.00 0.00 O ATOM 0 H GLU A 40 -3.414 -3.400 -1.881 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.145 -2.572 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.799 -2.814 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.464 -1.169 -3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.336 -1.044 -5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.470 -2.342 -5.979 1.00 0.00 H new ATOM 636 N ARG A 41 -1.326 -0.338 -3.667 1.00 0.00 N ATOM 637 CA ARG A 41 -0.588 0.807 -3.057 1.00 0.00 C ATOM 638 C ARG A 41 -0.998 2.120 -3.727 1.00 0.00 C ATOM 639 O ARG A 41 -1.973 2.182 -4.451 1.00 0.00 O ATOM 640 CB ARG A 41 0.889 0.509 -3.320 1.00 0.00 C ATOM 641 CG ARG A 41 1.257 -0.840 -2.700 1.00 0.00 C ATOM 642 CD ARG A 41 1.921 -1.725 -3.758 1.00 0.00 C ATOM 643 NE ARG A 41 0.848 -2.652 -4.212 1.00 0.00 N ATOM 644 CZ ARG A 41 0.675 -2.877 -5.486 1.00 0.00 C ATOM 645 NH1 ARG A 41 0.227 -1.927 -6.261 1.00 0.00 N ATOM 646 NH2 ARG A 41 0.949 -4.051 -5.986 1.00 0.00 N ATOM 0 H ARG A 41 -1.290 -0.385 -4.685 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.800 0.915 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.082 0.493 -4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.511 1.298 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.933 -0.693 -1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.364 -1.329 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.305 -1.130 -4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.766 -2.273 -3.341 1.00 0.00 H new ATOM 0 HE ARG A 41 0.248 -3.111 -3.527 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.012 -1.009 -5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.092 -2.102 -7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.299 -4.794 -5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.813 -4.226 -6.982 1.00 0.00 H new ATOM 660 N GLY A 42 -0.261 3.171 -3.492 1.00 0.00 N ATOM 661 CA GLY A 42 -0.608 4.480 -4.116 1.00 0.00 C ATOM 662 C GLY A 42 -0.365 5.606 -3.110 1.00 0.00 C ATOM 663 O GLY A 42 0.173 5.391 -2.042 1.00 0.00 O ATOM 0 H GLY A 42 0.566 3.180 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.005 4.640 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.651 4.479 -4.432 1.00 0.00 H new ATOM 667 N CYS A 43 -0.755 6.806 -3.441 1.00 0.00 N ATOM 668 CA CYS A 43 -0.545 7.946 -2.502 1.00 0.00 C ATOM 669 C CYS A 43 -1.888 8.427 -1.942 1.00 0.00 C ATOM 670 O CYS A 43 -2.815 8.699 -2.677 1.00 0.00 O ATOM 671 CB CYS A 43 0.107 9.040 -3.346 1.00 0.00 C ATOM 672 SG CYS A 43 1.605 8.387 -4.124 1.00 0.00 S ATOM 0 H CYS A 43 -1.210 7.047 -4.321 1.00 0.00 H new ATOM 0 HA CYS A 43 0.073 7.668 -1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.589 9.390 -4.108 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.353 9.899 -2.721 1.00 0.00 H new ATOM 677 N ALA A 44 -1.995 8.534 -0.646 1.00 0.00 N ATOM 678 CA ALA A 44 -3.276 8.998 -0.039 1.00 0.00 C ATOM 679 C ALA A 44 -3.025 9.566 1.360 1.00 0.00 C ATOM 680 O ALA A 44 -1.899 9.676 1.804 1.00 0.00 O ATOM 681 CB ALA A 44 -4.154 7.748 0.038 1.00 0.00 C ATOM 0 H ALA A 44 -1.252 8.320 0.019 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.745 9.790 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.118 8.007 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.306 7.348 -0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.664 6.997 0.658 1.00 0.00 H new ATOM 687 N ALA A 45 -4.066 9.928 2.059 1.00 0.00 N ATOM 688 CA ALA A 45 -3.886 10.490 3.429 1.00 0.00 C ATOM 689 C ALA A 45 -5.142 10.253 4.275 1.00 0.00 C ATOM 690 O ALA A 45 -5.333 10.870 5.304 1.00 0.00 O ATOM 691 CB ALA A 45 -3.660 11.986 3.216 1.00 0.00 C ATOM 0 H ALA A 45 -5.033 9.859 1.741 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.057 10.021 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.519 12.474 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.773 12.136 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.527 12.417 2.715 1.00 0.00 H new ATOM 697 N THR A 46 -5.999 9.364 3.851 1.00 0.00 N ATOM 698 CA THR A 46 -7.239 9.093 4.635 1.00 0.00 C ATOM 699 C THR A 46 -7.184 7.689 5.242 1.00 0.00 C ATOM 700 O THR A 46 -7.732 7.440 6.298 1.00 0.00 O ATOM 701 CB THR A 46 -8.381 9.195 3.622 1.00 0.00 C ATOM 702 OG1 THR A 46 -7.919 8.776 2.346 1.00 0.00 O ATOM 703 CG2 THR A 46 -8.868 10.643 3.544 1.00 0.00 C ATOM 0 H THR A 46 -5.895 8.815 2.998 1.00 0.00 H new ATOM 0 HA THR A 46 -7.365 9.792 5.462 1.00 0.00 H new ATOM 0 HB THR A 46 -9.205 8.555 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.650 8.839 1.696 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.682 10.715 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.224 10.961 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.046 11.287 3.230 1.00 0.00 H new ATOM 711 N CYS A 47 -6.516 6.778 4.586 1.00 0.00 N ATOM 712 CA CYS A 47 -6.405 5.390 5.112 1.00 0.00 C ATOM 713 C CYS A 47 -7.720 4.956 5.767 1.00 0.00 C ATOM 714 O CYS A 47 -7.941 5.202 6.936 1.00 0.00 O ATOM 715 CB CYS A 47 -5.277 5.438 6.144 1.00 0.00 C ATOM 716 SG CYS A 47 -3.936 6.520 5.574 1.00 0.00 S ATOM 0 H CYS A 47 -6.038 6.940 3.699 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.198 4.670 4.320 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.664 5.800 7.097 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.892 4.433 6.317 1.00 0.00 H new ATOM 721 N PRO A 48 -8.548 4.321 4.985 1.00 0.00 N ATOM 722 CA PRO A 48 -9.859 3.844 5.489 1.00 0.00 C ATOM 723 C PRO A 48 -9.669 2.624 6.395 1.00 0.00 C ATOM 724 O PRO A 48 -8.580 2.348 6.860 1.00 0.00 O ATOM 725 CB PRO A 48 -10.616 3.467 4.220 1.00 0.00 C ATOM 726 CG PRO A 48 -9.555 3.167 3.208 1.00 0.00 C ATOM 727 CD PRO A 48 -8.346 3.991 3.570 1.00 0.00 C ATOM 0 HA PRO A 48 -10.386 4.588 6.087 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.258 2.602 4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.259 4.282 3.888 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.311 2.105 3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.901 3.412 2.204 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.423 3.432 3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.278 4.890 2.957 1.00 0.00 H new ATOM 735 N LYS A 49 -10.719 1.891 6.648 1.00 0.00 N ATOM 736 CA LYS A 49 -10.596 0.690 7.523 1.00 0.00 C ATOM 737 C LYS A 49 -11.000 -0.569 6.751 1.00 0.00 C ATOM 738 O LYS A 49 -11.083 -0.565 5.539 1.00 0.00 O ATOM 739 CB LYS A 49 -11.562 0.943 8.680 1.00 0.00 C ATOM 740 CG LYS A 49 -10.844 1.725 9.784 1.00 0.00 C ATOM 741 CD LYS A 49 -11.412 1.323 11.146 1.00 0.00 C ATOM 742 CE LYS A 49 -10.338 1.507 12.221 1.00 0.00 C ATOM 743 NZ LYS A 49 -11.088 1.577 13.506 1.00 0.00 N ATOM 0 H LYS A 49 -11.656 2.071 6.287 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.575 0.535 7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.429 1.503 8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.932 -0.004 9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.774 1.522 9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.971 2.796 9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.285 1.931 11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.743 0.285 11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.632 0.676 12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.761 2.416 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.419 1.703 14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.747 2.381 13.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.623 0.696 13.644 1.00 0.00 H new ATOM 757 N GLY A 50 -11.252 -1.646 7.443 1.00 0.00 N ATOM 758 CA GLY A 50 -11.651 -2.902 6.747 1.00 0.00 C ATOM 759 C GLY A 50 -12.971 -3.412 7.325 1.00 0.00 C ATOM 760 O GLY A 50 -13.651 -2.715 8.054 1.00 0.00 O ATOM 0 H GLY A 50 -11.199 -1.711 8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.757 -2.719 5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.874 -3.658 6.865 1.00 0.00 H new ATOM 764 N SER A 51 -13.340 -4.622 7.008 1.00 0.00 N ATOM 765 CA SER A 51 -14.618 -5.179 7.538 1.00 0.00 C ATOM 766 C SER A 51 -14.851 -6.586 6.980 1.00 0.00 C ATOM 767 O SER A 51 -14.457 -6.897 5.874 1.00 0.00 O ATOM 768 CB SER A 51 -15.702 -4.220 7.049 1.00 0.00 C ATOM 769 OG SER A 51 -16.593 -3.933 8.119 1.00 0.00 O ATOM 0 H SER A 51 -12.811 -5.251 6.404 1.00 0.00 H new ATOM 0 HA SER A 51 -14.613 -5.265 8.625 1.00 0.00 H new ATOM 0 HB2 SER A 51 -15.250 -3.299 6.680 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.247 -4.663 6.216 1.00 0.00 H new ATOM 0 HG SER A 51 -17.289 -3.316 7.809 1.00 0.00 H new ATOM 775 N VAL A 52 -15.486 -7.438 7.736 1.00 0.00 N ATOM 776 CA VAL A 52 -15.739 -8.823 7.247 1.00 0.00 C ATOM 777 C VAL A 52 -14.421 -9.486 6.840 1.00 0.00 C ATOM 778 O VAL A 52 -13.783 -10.156 7.627 1.00 0.00 O ATOM 779 CB VAL A 52 -16.651 -8.653 6.031 1.00 0.00 C ATOM 780 CG1 VAL A 52 -16.803 -9.997 5.315 1.00 0.00 C ATOM 781 CG2 VAL A 52 -18.026 -8.163 6.491 1.00 0.00 C ATOM 0 H VAL A 52 -15.841 -7.236 8.671 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.192 -9.456 8.010 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.214 -7.925 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.453 -9.876 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -15.824 -10.348 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.240 -10.726 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.677 -8.041 5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -18.462 -8.892 7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.919 -7.206 7.002 1.00 0.00 H new ATOM 791 N TYR A 53 -14.007 -9.302 5.615 1.00 0.00 N ATOM 792 CA TYR A 53 -12.728 -9.920 5.160 1.00 0.00 C ATOM 793 C TYR A 53 -11.567 -9.422 6.023 1.00 0.00 C ATOM 794 O TYR A 53 -10.934 -10.181 6.730 1.00 0.00 O ATOM 795 CB TYR A 53 -12.556 -9.455 3.714 1.00 0.00 C ATOM 796 CG TYR A 53 -13.597 -10.119 2.845 1.00 0.00 C ATOM 797 CD1 TYR A 53 -13.713 -11.514 2.833 1.00 0.00 C ATOM 798 CD2 TYR A 53 -14.448 -9.339 2.051 1.00 0.00 C ATOM 799 CE1 TYR A 53 -14.678 -12.129 2.027 1.00 0.00 C ATOM 800 CE2 TYR A 53 -15.412 -9.954 1.246 1.00 0.00 C ATOM 801 CZ TYR A 53 -15.528 -11.349 1.234 1.00 0.00 C ATOM 802 OH TYR A 53 -16.480 -11.955 0.439 1.00 0.00 O ATOM 0 H TYR A 53 -14.498 -8.751 4.911 1.00 0.00 H new ATOM 0 HA TYR A 53 -12.742 -11.007 5.240 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -12.655 -8.371 3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -11.557 -9.704 3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -13.058 -12.116 3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -14.359 -8.263 2.061 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.767 -13.205 2.017 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -16.067 -9.353 0.633 1.00 0.00 H new ATOM 0 HH TYR A 53 -16.986 -11.270 -0.046 1.00 0.00 H new ATOM 812 N GLY A 54 -11.283 -8.150 5.972 1.00 0.00 N ATOM 813 CA GLY A 54 -10.164 -7.602 6.790 1.00 0.00 C ATOM 814 C GLY A 54 -9.175 -6.869 5.881 1.00 0.00 C ATOM 815 O GLY A 54 -8.118 -7.378 5.561 1.00 0.00 O ATOM 0 H GLY A 54 -11.777 -7.466 5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.553 -6.920 7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.658 -8.409 7.319 1.00 0.00 H new ATOM 819 N LEU A 55 -9.508 -5.678 5.464 1.00 0.00 N ATOM 820 CA LEU A 55 -8.582 -4.914 4.579 1.00 0.00 C ATOM 821 C LEU A 55 -7.476 -4.266 5.413 1.00 0.00 C ATOM 822 O LEU A 55 -7.736 -3.492 6.313 1.00 0.00 O ATOM 823 CB LEU A 55 -9.455 -3.846 3.919 1.00 0.00 C ATOM 824 CG LEU A 55 -10.175 -4.448 2.710 1.00 0.00 C ATOM 825 CD1 LEU A 55 -11.681 -4.481 2.977 1.00 0.00 C ATOM 826 CD2 LEU A 55 -9.897 -3.592 1.473 1.00 0.00 C ATOM 0 H LEU A 55 -10.379 -5.201 5.697 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.093 -5.550 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.182 -3.463 4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.841 -3.002 3.606 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.813 -5.462 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.194 -4.910 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.881 -5.090 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.043 -3.467 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.409 -4.020 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.259 -2.578 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.824 -3.567 1.281 1.00 0.00 H new ATOM 838 N TYR A 56 -6.242 -4.577 5.124 1.00 0.00 N ATOM 839 CA TYR A 56 -5.120 -3.981 5.904 1.00 0.00 C ATOM 840 C TYR A 56 -4.785 -2.583 5.375 1.00 0.00 C ATOM 841 O TYR A 56 -4.114 -2.433 4.374 1.00 0.00 O ATOM 842 CB TYR A 56 -3.941 -4.931 5.692 1.00 0.00 C ATOM 843 CG TYR A 56 -2.849 -4.609 6.684 1.00 0.00 C ATOM 844 CD1 TYR A 56 -2.874 -5.182 7.961 1.00 0.00 C ATOM 845 CD2 TYR A 56 -1.814 -3.737 6.328 1.00 0.00 C ATOM 846 CE1 TYR A 56 -1.862 -4.883 8.882 1.00 0.00 C ATOM 847 CE2 TYR A 56 -0.804 -3.437 7.249 1.00 0.00 C ATOM 848 CZ TYR A 56 -0.827 -4.011 8.526 1.00 0.00 C ATOM 849 OH TYR A 56 0.170 -3.715 9.434 1.00 0.00 O ATOM 0 H TYR A 56 -5.962 -5.218 4.382 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.369 -3.867 6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.266 -5.964 5.816 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.562 -4.836 4.674 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.673 -5.854 8.236 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.795 -3.296 5.343 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.880 -5.325 9.867 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.006 -2.762 6.975 1.00 0.00 H new ATOM 0 HH TYR A 56 0.810 -3.095 9.026 1.00 0.00 H new ATOM 859 N VAL A 57 -5.247 -1.560 6.041 1.00 0.00 N ATOM 860 CA VAL A 57 -4.952 -0.174 5.577 1.00 0.00 C ATOM 861 C VAL A 57 -3.707 0.363 6.289 1.00 0.00 C ATOM 862 O VAL A 57 -3.620 0.352 7.501 1.00 0.00 O ATOM 863 CB VAL A 57 -6.185 0.643 5.964 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.867 2.134 5.846 1.00 0.00 C ATOM 865 CG2 VAL A 57 -7.340 0.292 5.022 1.00 0.00 C ATOM 0 H VAL A 57 -5.815 -1.624 6.886 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.753 -0.128 4.506 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.468 0.413 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.746 2.716 6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.042 2.384 6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.586 2.366 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.221 0.873 5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.056 0.524 3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.566 -0.771 5.104 1.00 0.00 H new ATOM 875 N LEU A 58 -2.742 0.833 5.547 1.00 0.00 N ATOM 876 CA LEU A 58 -1.506 1.366 6.188 1.00 0.00 C ATOM 877 C LEU A 58 -0.818 2.378 5.267 1.00 0.00 C ATOM 878 O LEU A 58 -0.305 2.032 4.222 1.00 0.00 O ATOM 879 CB LEU A 58 -0.615 0.142 6.399 1.00 0.00 C ATOM 880 CG LEU A 58 0.730 0.582 6.980 1.00 0.00 C ATOM 881 CD1 LEU A 58 0.767 0.267 8.476 1.00 0.00 C ATOM 882 CD2 LEU A 58 1.860 -0.171 6.273 1.00 0.00 C ATOM 0 H LEU A 58 -2.755 0.871 4.528 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.718 1.886 7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.101 -0.563 7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.462 -0.377 5.453 1.00 0.00 H new ATOM 0 HG LEU A 58 0.857 1.654 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.725 0.580 8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.038 0.801 8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.641 -0.805 8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.819 0.141 6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.732 -1.243 6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.834 0.052 5.206 1.00 0.00 H new ATOM 894 N CYS A 59 -0.798 3.625 5.652 1.00 0.00 N ATOM 895 CA CYS A 59 -0.137 4.657 4.804 1.00 0.00 C ATOM 896 C CYS A 59 1.223 5.028 5.398 1.00 0.00 C ATOM 897 O CYS A 59 1.365 5.191 6.594 1.00 0.00 O ATOM 898 CB CYS A 59 -1.081 5.858 4.830 1.00 0.00 C ATOM 899 SG CYS A 59 -2.765 5.309 4.459 1.00 0.00 S ATOM 0 H CYS A 59 -1.211 3.974 6.517 1.00 0.00 H new ATOM 0 HA CYS A 59 0.043 4.306 3.788 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.050 6.337 5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.761 6.602 4.101 1.00 0.00 H new ATOM 904 N CYS A 60 2.226 5.159 4.574 1.00 0.00 N ATOM 905 CA CYS A 60 3.580 5.516 5.097 1.00 0.00 C ATOM 906 C CYS A 60 4.216 6.605 4.231 1.00 0.00 C ATOM 907 O CYS A 60 3.722 6.942 3.173 1.00 0.00 O ATOM 908 CB CYS A 60 4.429 4.229 5.046 1.00 0.00 C ATOM 909 SG CYS A 60 3.794 3.064 3.804 1.00 0.00 S ATOM 0 H CYS A 60 2.169 5.035 3.563 1.00 0.00 H new ATOM 0 HA CYS A 60 3.515 5.903 6.114 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.463 4.483 4.814 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.430 3.753 6.027 1.00 0.00 H new ATOM 914 N THR A 61 5.313 7.154 4.673 1.00 0.00 N ATOM 915 CA THR A 61 5.991 8.215 3.882 1.00 0.00 C ATOM 916 C THR A 61 7.448 8.355 4.328 1.00 0.00 C ATOM 917 O THR A 61 7.912 7.646 5.199 1.00 0.00 O ATOM 918 CB THR A 61 5.210 9.497 4.181 1.00 0.00 C ATOM 919 OG1 THR A 61 5.961 10.619 3.737 1.00 0.00 O ATOM 920 CG2 THR A 61 4.964 9.608 5.686 1.00 0.00 C ATOM 0 H THR A 61 5.770 6.911 5.552 1.00 0.00 H new ATOM 0 HA THR A 61 6.006 7.989 2.816 1.00 0.00 H new ATOM 0 HB THR A 61 4.252 9.470 3.661 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.463 11.442 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.408 10.521 5.897 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.389 8.746 6.025 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.919 9.636 6.210 1.00 0.00 H new ATOM 928 N THR A 62 8.175 9.265 3.740 1.00 0.00 N ATOM 929 CA THR A 62 9.601 9.451 4.134 1.00 0.00 C ATOM 930 C THR A 62 10.406 8.181 3.843 1.00 0.00 C ATOM 931 O THR A 62 10.367 7.224 4.591 1.00 0.00 O ATOM 932 CB THR A 62 9.559 9.729 5.638 1.00 0.00 C ATOM 933 OG1 THR A 62 8.389 10.473 5.948 1.00 0.00 O ATOM 934 CG2 THR A 62 10.797 10.528 6.048 1.00 0.00 C ATOM 0 H THR A 62 7.844 9.888 3.004 1.00 0.00 H new ATOM 0 HA THR A 62 10.080 10.259 3.581 1.00 0.00 H new ATOM 0 HB THR A 62 9.544 8.784 6.181 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.360 10.650 6.911 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.765 10.725 7.120 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.694 9.956 5.811 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.816 11.474 5.506 1.00 0.00 H new ATOM 942 N ASP A 63 11.140 8.167 2.764 1.00 0.00 N ATOM 943 CA ASP A 63 11.953 6.963 2.425 1.00 0.00 C ATOM 944 C ASP A 63 11.050 5.745 2.213 1.00 0.00 C ATOM 945 O ASP A 63 10.085 5.544 2.924 1.00 0.00 O ATOM 946 CB ASP A 63 12.865 6.750 3.633 1.00 0.00 C ATOM 947 CG ASP A 63 14.068 5.898 3.224 1.00 0.00 C ATOM 948 OD1 ASP A 63 14.933 6.419 2.539 1.00 0.00 O ATOM 949 OD2 ASP A 63 14.103 4.738 3.599 1.00 0.00 O ATOM 0 H ASP A 63 11.212 8.939 2.101 1.00 0.00 H new ATOM 0 HA ASP A 63 12.518 7.097 1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.202 7.711 4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.314 6.258 4.435 1.00 0.00 H new ATOM 954 N ASP A 64 11.362 4.928 1.244 1.00 0.00 N ATOM 955 CA ASP A 64 10.528 3.714 0.985 1.00 0.00 C ATOM 956 C ASP A 64 9.080 4.097 0.643 1.00 0.00 C ATOM 957 O ASP A 64 8.662 3.993 -0.493 1.00 0.00 O ATOM 958 CB ASP A 64 10.573 2.922 2.293 1.00 0.00 C ATOM 959 CG ASP A 64 10.888 1.455 1.995 1.00 0.00 C ATOM 960 OD1 ASP A 64 11.307 1.174 0.883 1.00 0.00 O ATOM 961 OD2 ASP A 64 10.706 0.638 2.881 1.00 0.00 O ATOM 0 H ASP A 64 12.159 5.047 0.618 1.00 0.00 H new ATOM 0 HA ASP A 64 10.902 3.142 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.330 3.339 2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.617 3.001 2.811 1.00 0.00 H new ATOM 966 N CYS A 65 8.303 4.537 1.604 1.00 0.00 N ATOM 967 CA CYS A 65 6.896 4.912 1.296 1.00 0.00 C ATOM 968 C CYS A 65 6.790 6.416 1.028 1.00 0.00 C ATOM 969 O CYS A 65 5.712 6.976 1.003 1.00 0.00 O ATOM 970 CB CYS A 65 6.108 4.534 2.547 1.00 0.00 C ATOM 971 SG CYS A 65 4.559 3.735 2.062 1.00 0.00 S ATOM 0 H CYS A 65 8.583 4.650 2.578 1.00 0.00 H new ATOM 0 HA CYS A 65 6.520 4.408 0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.697 3.862 3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.901 5.423 3.142 1.00 0.00 H new ATOM 976 N ASN A 66 7.898 7.074 0.827 1.00 0.00 N ATOM 977 CA ASN A 66 7.854 8.541 0.561 1.00 0.00 C ATOM 978 C ASN A 66 7.102 8.821 -0.742 1.00 0.00 C ATOM 979 O ASN A 66 7.545 9.680 -1.486 1.00 0.00 O ATOM 980 CB ASN A 66 9.318 8.967 0.439 1.00 0.00 C ATOM 981 CG ASN A 66 9.530 10.287 1.182 1.00 0.00 C ATOM 982 OD1 ASN A 66 8.644 10.763 1.864 1.00 0.00 O ATOM 983 ND2 ASN A 66 10.677 10.901 1.081 1.00 0.00 N ATOM 984 OXT ASN A 66 6.096 8.172 -0.973 1.00 0.00 O ATOM 0 H ASN A 66 8.831 6.661 0.835 1.00 0.00 H new ATOM 0 HA ASN A 66 7.336 9.087 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.968 8.196 0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.588 9.081 -0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.830 11.780 1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.421 10.501 0.509 1.00 0.00 H new TER 991 ASN A 66