USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 hydrogens (9 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 30 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 72 THR OG1 : rot -170:sc= -2.71! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -64:sc= 0.532 USER MOD Single : A 7 SER OG : rot 180:sc= 0.245 USER MOD Single : A 9 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.13) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 7:sc= 1.22 USER MOD Single : A 19 GLN : amide:sc= -14.3! C(o=-14!,f=-17!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.609 X(o=-0.61,f=-0.57) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.507 USER MOD Single : A 34 THR OG1 : rot -25:sc= -0.294 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.181 USER MOD Single : A 40 LYS NZ :NH3+ 149:sc= -2.97! (180deg=-4.02!) USER MOD Single : A 47 THR OG1 : rot 160:sc= 0.547 USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= -0.0263 (180deg=-0.455) USER MOD Single : A 52 GLN : amide:sc= -0.724 K(o=-0.72,f=-0.22) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -133:sc= 1.11 USER MOD Single : A 59 LYS NZ :NH3+ -125:sc= -0.0519 (180deg=-0.422) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= -0.101 (180deg=-0.123) USER MOD Single : A 67 GLN : amide:sc= -0.0675 K(o=-0.067,f=-0.62) USER MOD Single : A 68 GLN : amide:sc= -1.36 K(o=-1.4,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.402 -18.837 5.651 1.00 0.00 N ATOM 2 CA GLY A 1 10.937 -17.423 5.735 1.00 0.00 C ATOM 3 C GLY A 1 10.135 -17.073 4.482 1.00 0.00 C ATOM 4 O GLY A 1 9.017 -16.601 4.559 1.00 0.00 O ATOM 0 H1 GLY A 1 11.948 -19.074 6.504 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.579 -19.469 5.579 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.004 -18.955 4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.322 -17.284 6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.792 -16.753 5.831 1.00 0.00 H new ATOM 7 N ASP A 2 10.693 -17.302 3.325 1.00 0.00 N ATOM 8 CA ASP A 2 9.958 -16.983 2.066 1.00 0.00 C ATOM 9 C ASP A 2 8.622 -17.728 2.032 1.00 0.00 C ATOM 10 O ASP A 2 7.580 -17.167 2.313 1.00 0.00 O ATOM 11 CB ASP A 2 10.873 -17.467 0.940 1.00 0.00 C ATOM 12 CG ASP A 2 10.081 -17.538 -0.367 1.00 0.00 C ATOM 13 OD1 ASP A 2 9.311 -16.626 -0.619 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.259 -18.502 -1.091 1.00 0.00 O ATOM 0 H ASP A 2 11.625 -17.696 3.196 1.00 0.00 H new ATOM 0 HA ASP A 2 9.731 -15.921 1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.719 -16.789 0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.280 -18.448 1.184 1.00 0.00 H new ATOM 19 N THR A 3 8.643 -18.988 1.693 1.00 0.00 N ATOM 20 CA THR A 3 7.373 -19.770 1.644 1.00 0.00 C ATOM 21 C THR A 3 6.325 -19.029 0.809 1.00 0.00 C ATOM 22 O THR A 3 6.543 -17.920 0.362 1.00 0.00 O ATOM 23 CB THR A 3 6.915 -19.885 3.101 1.00 0.00 C ATOM 24 OG1 THR A 3 6.229 -18.699 3.480 1.00 0.00 O ATOM 25 CG2 THR A 3 8.128 -20.088 4.010 1.00 0.00 C ATOM 0 H THR A 3 9.484 -19.511 1.448 1.00 0.00 H new ATOM 0 HA THR A 3 7.512 -20.748 1.184 1.00 0.00 H new ATOM 0 HB THR A 3 6.245 -20.739 3.200 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.847 -17.939 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.797 -20.169 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.649 -21.001 3.723 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.803 -19.238 3.911 1.00 0.00 H new ATOM 33 N LEU A 4 5.189 -19.634 0.596 1.00 0.00 N ATOM 34 CA LEU A 4 4.126 -18.966 -0.210 1.00 0.00 C ATOM 35 C LEU A 4 3.237 -18.109 0.695 1.00 0.00 C ATOM 36 O LEU A 4 3.013 -16.943 0.438 1.00 0.00 O ATOM 37 CB LEU A 4 3.320 -20.111 -0.826 1.00 0.00 C ATOM 38 CG LEU A 4 3.356 -19.999 -2.351 1.00 0.00 C ATOM 39 CD1 LEU A 4 2.815 -18.633 -2.777 1.00 0.00 C ATOM 40 CD2 LEU A 4 4.799 -20.148 -2.839 1.00 0.00 C ATOM 0 H LEU A 4 4.950 -20.562 0.945 1.00 0.00 H new ATOM 0 HA LEU A 4 4.538 -18.302 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.732 -21.070 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.290 -20.076 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 4 2.740 -20.786 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.841 -18.554 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.788 -18.524 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.430 -17.846 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.826 -20.068 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.414 -19.361 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.187 -21.121 -2.537 1.00 0.00 H new ATOM 52 N GLY A 5 2.730 -18.679 1.755 1.00 0.00 N ATOM 53 CA GLY A 5 1.857 -17.896 2.676 1.00 0.00 C ATOM 54 C GLY A 5 1.449 -18.773 3.861 1.00 0.00 C ATOM 55 O GLY A 5 1.716 -18.454 5.002 1.00 0.00 O ATOM 0 H GLY A 5 2.882 -19.651 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.385 -17.011 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.971 -17.548 2.146 1.00 0.00 H new ATOM 59 N ALA A 6 0.804 -19.877 3.601 1.00 0.00 N ATOM 60 CA ALA A 6 0.380 -20.773 4.714 1.00 0.00 C ATOM 61 C ALA A 6 -0.531 -20.016 5.685 1.00 0.00 C ATOM 62 O ALA A 6 -0.597 -20.325 6.858 1.00 0.00 O ATOM 63 CB ALA A 6 1.678 -21.186 5.407 1.00 0.00 C ATOM 0 H ALA A 6 0.552 -20.197 2.666 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.183 -21.636 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.450 -21.849 6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.321 -21.705 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.190 -20.299 5.779 1.00 0.00 H new ATOM 69 N SER A 7 -1.234 -19.028 5.205 1.00 0.00 N ATOM 70 CA SER A 7 -2.140 -18.253 6.101 1.00 0.00 C ATOM 71 C SER A 7 -3.327 -19.119 6.529 1.00 0.00 C ATOM 72 O SER A 7 -3.306 -19.751 7.566 1.00 0.00 O ATOM 73 CB SER A 7 -2.615 -17.070 5.259 1.00 0.00 C ATOM 74 OG SER A 7 -2.875 -17.512 3.933 1.00 0.00 O ATOM 0 H SER A 7 -1.221 -18.723 4.232 1.00 0.00 H new ATOM 0 HA SER A 7 -1.639 -17.928 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.516 -16.638 5.694 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.857 -16.286 5.252 1.00 0.00 H new ATOM 0 HG SER A 7 -3.182 -16.756 3.390 1.00 0.00 H new ATOM 80 N TRP A 8 -4.362 -19.152 5.736 1.00 0.00 N ATOM 81 CA TRP A 8 -5.552 -19.977 6.096 1.00 0.00 C ATOM 82 C TRP A 8 -5.825 -21.019 5.008 1.00 0.00 C ATOM 83 O TRP A 8 -5.134 -21.084 4.011 1.00 0.00 O ATOM 84 CB TRP A 8 -6.708 -18.982 6.189 1.00 0.00 C ATOM 85 CG TRP A 8 -7.024 -18.717 7.625 1.00 0.00 C ATOM 86 CD1 TRP A 8 -6.122 -18.353 8.566 1.00 0.00 C ATOM 87 CD2 TRP A 8 -8.313 -18.788 8.300 1.00 0.00 C ATOM 88 NE1 TRP A 8 -6.775 -18.197 9.775 1.00 0.00 N ATOM 89 CE2 TRP A 8 -8.127 -18.453 9.663 1.00 0.00 C ATOM 90 CE3 TRP A 8 -9.612 -19.107 7.867 1.00 0.00 C ATOM 91 CZ2 TRP A 8 -9.194 -18.436 10.563 1.00 0.00 C ATOM 92 CZ3 TRP A 8 -10.688 -19.089 8.770 1.00 0.00 C ATOM 93 CH2 TRP A 8 -10.478 -18.755 10.116 1.00 0.00 C ATOM 0 H TRP A 8 -4.436 -18.644 4.855 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.408 -20.524 7.028 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.442 -18.052 5.687 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -7.586 -19.380 5.680 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.065 -18.208 8.400 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.314 -17.926 10.644 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -9.784 -19.368 6.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -9.028 -18.178 11.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -11.682 -19.334 8.426 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -11.309 -18.745 10.806 1.00 0.00 H new ATOM 104 N HIS A 9 -6.828 -21.834 5.193 1.00 0.00 N ATOM 105 CA HIS A 9 -7.145 -22.870 4.167 1.00 0.00 C ATOM 106 C HIS A 9 -7.867 -22.232 2.978 1.00 0.00 C ATOM 107 O HIS A 9 -8.992 -22.574 2.667 1.00 0.00 O ATOM 108 CB HIS A 9 -8.061 -23.866 4.881 1.00 0.00 C ATOM 109 CG HIS A 9 -8.265 -25.073 4.008 1.00 0.00 C ATOM 110 ND1 HIS A 9 -9.424 -25.832 4.055 1.00 0.00 N ATOM 111 CD2 HIS A 9 -7.468 -25.667 3.060 1.00 0.00 C ATOM 112 CE1 HIS A 9 -9.293 -26.830 3.161 1.00 0.00 C ATOM 113 NE2 HIS A 9 -8.118 -26.776 2.527 1.00 0.00 N ATOM 0 H HIS A 9 -7.441 -21.828 6.008 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.249 -23.350 3.773 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.622 -24.163 5.833 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.020 -23.399 5.104 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.485 -25.325 2.772 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -10.046 -27.583 2.978 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -7.772 -27.411 1.807 1.00 0.00 H new ATOM 121 N ARG A 10 -7.232 -21.308 2.312 1.00 0.00 N ATOM 122 CA ARG A 10 -7.883 -20.648 1.145 1.00 0.00 C ATOM 123 C ARG A 10 -6.840 -20.310 0.077 1.00 0.00 C ATOM 124 O ARG A 10 -5.661 -20.228 0.363 1.00 0.00 O ATOM 125 CB ARG A 10 -8.503 -19.370 1.709 1.00 0.00 C ATOM 126 CG ARG A 10 -9.632 -19.733 2.676 1.00 0.00 C ATOM 127 CD ARG A 10 -10.445 -18.480 3.003 1.00 0.00 C ATOM 128 NE ARG A 10 -11.759 -18.990 3.485 1.00 0.00 N ATOM 129 CZ ARG A 10 -11.818 -19.721 4.564 1.00 0.00 C ATOM 130 NH1 ARG A 10 -11.611 -21.008 4.492 1.00 0.00 N ATOM 131 NH2 ARG A 10 -12.083 -19.165 5.715 1.00 0.00 N ATOM 0 H ARG A 10 -6.290 -20.981 2.525 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.626 -21.289 0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.744 -18.782 2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.889 -18.752 0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.276 -20.492 2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.219 -20.161 3.590 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.952 -17.877 3.765 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.565 -17.847 2.124 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.612 -18.768 2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.403 -21.442 3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.657 -21.580 5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.244 -18.159 5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.129 -19.736 6.559 1.00 0.00 H new ATOM 145 N PRO A 11 -7.315 -20.123 -1.123 1.00 0.00 N ATOM 146 CA PRO A 11 -6.417 -19.787 -2.256 1.00 0.00 C ATOM 147 C PRO A 11 -5.920 -18.344 -2.130 1.00 0.00 C ATOM 148 O PRO A 11 -6.165 -17.676 -1.146 1.00 0.00 O ATOM 149 CB PRO A 11 -7.312 -19.948 -3.481 1.00 0.00 C ATOM 150 CG PRO A 11 -8.705 -19.749 -2.972 1.00 0.00 C ATOM 151 CD PRO A 11 -8.720 -20.208 -1.536 1.00 0.00 C ATOM 0 HA PRO A 11 -5.526 -20.414 -2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.064 -19.216 -4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.193 -20.934 -3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.996 -18.701 -3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.418 -20.320 -3.567 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.356 -19.573 -0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.102 -21.225 -1.446 1.00 0.00 H new ATOM 159 N ASP A 12 -5.223 -17.859 -3.120 1.00 0.00 N ATOM 160 CA ASP A 12 -4.711 -16.460 -3.057 1.00 0.00 C ATOM 161 C ASP A 12 -5.290 -15.635 -4.210 1.00 0.00 C ATOM 162 O ASP A 12 -4.618 -14.806 -4.791 1.00 0.00 O ATOM 163 CB ASP A 12 -3.195 -16.585 -3.196 1.00 0.00 C ATOM 164 CG ASP A 12 -2.551 -15.207 -3.042 1.00 0.00 C ATOM 165 OD1 ASP A 12 -2.509 -14.716 -1.926 1.00 0.00 O ATOM 166 OD2 ASP A 12 -2.112 -14.665 -4.043 1.00 0.00 O ATOM 0 H ASP A 12 -4.986 -18.370 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.994 -15.958 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.805 -17.266 -2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.942 -17.009 -4.168 1.00 0.00 H new ATOM 171 N LYS A 13 -6.532 -15.855 -4.545 1.00 0.00 N ATOM 172 CA LYS A 13 -7.154 -15.084 -5.660 1.00 0.00 C ATOM 173 C LYS A 13 -7.707 -13.754 -5.141 1.00 0.00 C ATOM 174 O LYS A 13 -8.891 -13.489 -5.225 1.00 0.00 O ATOM 175 CB LYS A 13 -8.289 -15.972 -6.171 1.00 0.00 C ATOM 176 CG LYS A 13 -7.737 -16.972 -7.189 1.00 0.00 C ATOM 177 CD LYS A 13 -7.829 -18.388 -6.616 1.00 0.00 C ATOM 178 CE LYS A 13 -8.639 -19.274 -7.566 1.00 0.00 C ATOM 179 NZ LYS A 13 -8.829 -20.554 -6.829 1.00 0.00 N ATOM 0 H LYS A 13 -7.144 -16.536 -4.095 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.437 -14.845 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.753 -16.502 -5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.065 -15.360 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.300 -16.908 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.701 -16.731 -7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.830 -18.802 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.301 -18.364 -5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.596 -18.815 -7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.109 -19.434 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.377 -21.215 -7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.901 -20.971 -6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.342 -20.372 -5.943 1.00 0.00 H new ATOM 193 N CYS A 14 -6.863 -12.916 -4.605 1.00 0.00 N ATOM 194 CA CYS A 14 -7.347 -11.605 -4.081 1.00 0.00 C ATOM 195 C CYS A 14 -6.183 -10.619 -3.946 1.00 0.00 C ATOM 196 O CYS A 14 -5.150 -10.770 -4.566 1.00 0.00 O ATOM 197 CB CYS A 14 -7.943 -11.924 -2.709 1.00 0.00 C ATOM 198 SG CYS A 14 -9.702 -12.310 -2.890 1.00 0.00 S ATOM 0 H CYS A 14 -5.861 -13.081 -4.507 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.075 -11.140 -4.746 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.419 -12.768 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.813 -11.075 -2.038 1.00 0.00 H new ATOM 203 N CYS A 15 -6.351 -9.605 -3.141 1.00 0.00 N ATOM 204 CA CYS A 15 -5.267 -8.596 -2.956 1.00 0.00 C ATOM 205 C CYS A 15 -3.909 -9.280 -2.785 1.00 0.00 C ATOM 206 O CYS A 15 -3.809 -10.490 -2.734 1.00 0.00 O ATOM 207 CB CYS A 15 -5.645 -7.859 -1.670 1.00 0.00 C ATOM 208 SG CYS A 15 -5.163 -6.121 -1.796 1.00 0.00 S ATOM 0 H CYS A 15 -7.198 -9.431 -2.600 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.178 -7.931 -3.815 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.718 -7.937 -1.498 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.151 -8.322 -0.816 1.00 0.00 H new ATOM 213 N LEU A 16 -2.865 -8.505 -2.671 1.00 0.00 N ATOM 214 CA LEU A 16 -1.505 -9.089 -2.476 1.00 0.00 C ATOM 215 C LEU A 16 -1.346 -9.547 -1.032 1.00 0.00 C ATOM 216 O LEU A 16 -0.248 -9.638 -0.520 1.00 0.00 O ATOM 217 CB LEU A 16 -0.542 -7.934 -2.735 1.00 0.00 C ATOM 218 CG LEU A 16 0.548 -8.382 -3.711 1.00 0.00 C ATOM 219 CD1 LEU A 16 0.927 -7.216 -4.626 1.00 0.00 C ATOM 220 CD2 LEU A 16 1.781 -8.831 -2.923 1.00 0.00 C ATOM 0 H LEU A 16 -2.895 -7.486 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.328 -9.944 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.083 -7.081 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.092 -7.605 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 16 0.177 -9.211 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.703 -7.536 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.050 -6.893 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.298 -6.387 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.559 -9.151 -3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.150 -8.001 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.513 -9.662 -2.270 1.00 0.00 H new ATOM 232 N GLY A 17 -2.427 -9.786 -0.352 1.00 0.00 N ATOM 233 CA GLY A 17 -2.308 -10.178 1.070 1.00 0.00 C ATOM 234 C GLY A 17 -1.664 -8.996 1.782 1.00 0.00 C ATOM 235 O GLY A 17 -2.196 -7.906 1.774 1.00 0.00 O ATOM 0 H GLY A 17 -3.378 -9.727 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.286 -10.403 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.699 -11.076 1.177 1.00 0.00 H new ATOM 239 N TYR A 18 -0.509 -9.180 2.352 1.00 0.00 N ATOM 240 CA TYR A 18 0.171 -8.037 3.019 1.00 0.00 C ATOM 241 C TYR A 18 1.609 -7.931 2.516 1.00 0.00 C ATOM 242 O TYR A 18 2.377 -8.871 2.587 1.00 0.00 O ATOM 243 CB TYR A 18 0.137 -8.351 4.514 1.00 0.00 C ATOM 244 CG TYR A 18 -1.267 -8.174 5.052 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.260 -7.555 4.275 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.576 -8.633 6.339 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.553 -7.399 4.788 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.870 -8.476 6.849 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.858 -7.859 6.074 1.00 0.00 C ATOM 250 OH TYR A 18 -5.133 -7.704 6.579 1.00 0.00 O ATOM 0 H TYR A 18 -0.008 -10.068 2.386 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.316 -7.085 2.808 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.474 -9.373 4.686 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.824 -7.694 5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.026 -7.200 3.282 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.814 -9.109 6.939 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.316 -6.923 4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.106 -8.831 7.841 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.723 -7.360 5.877 1.00 0.00 H new ATOM 260 N GLN A 19 1.976 -6.793 1.996 1.00 0.00 N ATOM 261 CA GLN A 19 3.358 -6.621 1.474 1.00 0.00 C ATOM 262 C GLN A 19 4.382 -7.126 2.491 1.00 0.00 C ATOM 263 O GLN A 19 4.405 -6.705 3.630 1.00 0.00 O ATOM 264 CB GLN A 19 3.507 -5.114 1.234 1.00 0.00 C ATOM 265 CG GLN A 19 4.956 -4.681 1.434 1.00 0.00 C ATOM 266 CD GLN A 19 5.752 -4.981 0.166 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.420 -4.117 -0.366 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.712 -6.178 -0.344 1.00 0.00 N ATOM 0 H GLN A 19 1.376 -5.973 1.910 1.00 0.00 H new ATOM 0 HA GLN A 19 3.530 -7.191 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.184 -4.867 0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.860 -4.565 1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.001 -3.616 1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.391 -5.208 2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.151 -6.904 0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.241 -6.390 -1.190 1.00 0.00 H new ATOM 277 N LYS A 20 5.235 -8.018 2.076 1.00 0.00 N ATOM 278 CA LYS A 20 6.274 -8.549 3.003 1.00 0.00 C ATOM 279 C LYS A 20 7.493 -7.628 2.975 1.00 0.00 C ATOM 280 O LYS A 20 8.053 -7.285 3.998 1.00 0.00 O ATOM 281 CB LYS A 20 6.628 -9.931 2.455 1.00 0.00 C ATOM 282 CG LYS A 20 5.707 -10.980 3.084 1.00 0.00 C ATOM 283 CD LYS A 20 6.177 -11.283 4.507 1.00 0.00 C ATOM 284 CE LYS A 20 4.963 -11.426 5.428 1.00 0.00 C ATOM 285 NZ LYS A 20 5.172 -12.715 6.141 1.00 0.00 N ATOM 0 H LYS A 20 5.259 -8.404 1.132 1.00 0.00 H new ATOM 0 HA LYS A 20 5.931 -8.606 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.522 -9.942 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.669 -10.166 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.680 -10.616 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.714 -11.891 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.766 -12.200 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.826 -10.483 4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.898 -10.593 6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.034 -11.436 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.379 -12.884 6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.223 -13.490 5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.060 -12.673 6.680 1.00 0.00 H new ATOM 299 N ARG A 21 7.896 -7.212 1.807 1.00 0.00 N ATOM 300 CA ARG A 21 9.065 -6.296 1.698 1.00 0.00 C ATOM 301 C ARG A 21 8.629 -4.873 2.023 1.00 0.00 C ATOM 302 O ARG A 21 7.475 -4.526 1.882 1.00 0.00 O ATOM 303 CB ARG A 21 9.517 -6.401 0.240 1.00 0.00 C ATOM 304 CG ARG A 21 10.025 -7.818 -0.036 1.00 0.00 C ATOM 305 CD ARG A 21 10.963 -7.800 -1.245 1.00 0.00 C ATOM 306 NE ARG A 21 10.075 -7.569 -2.417 1.00 0.00 N ATOM 307 CZ ARG A 21 9.531 -8.582 -3.035 1.00 0.00 C ATOM 308 NH1 ARG A 21 10.192 -9.206 -3.971 1.00 0.00 N ATOM 309 NH2 ARG A 21 8.328 -8.971 -2.715 1.00 0.00 N ATOM 0 H ARG A 21 7.464 -7.468 0.919 1.00 0.00 H new ATOM 0 HA ARG A 21 9.868 -6.555 2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.688 -6.164 -0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.305 -5.675 0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.549 -8.204 0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.185 -8.486 -0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.710 -7.011 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.504 -8.742 -1.339 1.00 0.00 H new ATOM 0 HE ARG A 21 9.891 -6.618 -2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.133 -8.902 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.767 -9.998 -4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.813 -8.484 -1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.903 -9.762 -3.198 1.00 0.00 H new ATOM 323 N PRO A 22 9.573 -4.091 2.449 1.00 0.00 N ATOM 324 CA PRO A 22 9.286 -2.684 2.796 1.00 0.00 C ATOM 325 C PRO A 22 8.944 -1.883 1.547 1.00 0.00 C ATOM 326 O PRO A 22 9.557 -2.025 0.508 1.00 0.00 O ATOM 327 CB PRO A 22 10.575 -2.198 3.436 1.00 0.00 C ATOM 328 CG PRO A 22 11.637 -3.107 2.898 1.00 0.00 C ATOM 329 CD PRO A 22 10.981 -4.436 2.644 1.00 0.00 C ATOM 0 HA PRO A 22 8.429 -2.573 3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.777 -1.158 3.178 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.522 -2.252 4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.062 -2.704 1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.456 -3.209 3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.399 -4.928 1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.115 -5.117 3.485 1.00 0.00 H new ATOM 337 N LEU A 23 7.952 -1.052 1.647 1.00 0.00 N ATOM 338 CA LEU A 23 7.534 -0.239 0.477 1.00 0.00 C ATOM 339 C LEU A 23 7.483 1.247 0.835 1.00 0.00 C ATOM 340 O LEU A 23 6.887 1.632 1.820 1.00 0.00 O ATOM 341 CB LEU A 23 6.146 -0.759 0.129 1.00 0.00 C ATOM 342 CG LEU A 23 6.236 -1.567 -1.158 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.923 -2.317 -1.388 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.497 -0.617 -2.329 1.00 0.00 C ATOM 0 H LEU A 23 7.407 -0.899 2.496 1.00 0.00 H new ATOM 0 HA LEU A 23 8.231 -0.326 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.761 -1.379 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.451 0.072 0.006 1.00 0.00 H new ATOM 0 HG LEU A 23 7.050 -2.288 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.991 -2.894 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.737 -2.990 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.104 -1.602 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.563 -1.189 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.681 0.101 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.434 -0.085 -2.164 1.00 0.00 H new ATOM 356 N PRO A 24 8.119 2.031 0.010 1.00 0.00 N ATOM 357 CA PRO A 24 8.157 3.495 0.225 1.00 0.00 C ATOM 358 C PRO A 24 6.815 4.120 -0.158 1.00 0.00 C ATOM 359 O PRO A 24 5.849 3.432 -0.418 1.00 0.00 O ATOM 360 CB PRO A 24 9.262 3.967 -0.715 1.00 0.00 C ATOM 361 CG PRO A 24 9.331 2.928 -1.790 1.00 0.00 C ATOM 362 CD PRO A 24 8.856 1.628 -1.191 1.00 0.00 C ATOM 0 HA PRO A 24 8.341 3.773 1.263 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.034 4.949 -1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.214 4.056 -0.191 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.707 3.211 -2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.350 2.829 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.218 1.080 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.693 0.975 -0.944 1.00 0.00 H new ATOM 370 N GLN A 25 6.752 5.421 -0.193 1.00 0.00 N ATOM 371 CA GLN A 25 5.480 6.100 -0.555 1.00 0.00 C ATOM 372 C GLN A 25 5.700 7.052 -1.734 1.00 0.00 C ATOM 373 O GLN A 25 4.854 7.195 -2.593 1.00 0.00 O ATOM 374 CB GLN A 25 5.087 6.878 0.700 1.00 0.00 C ATOM 375 CG GLN A 25 3.730 7.552 0.483 1.00 0.00 C ATOM 376 CD GLN A 25 3.942 9.024 0.129 1.00 0.00 C ATOM 377 OE1 GLN A 25 3.557 9.468 -0.934 1.00 0.00 O ATOM 378 NE2 GLN A 25 4.545 9.808 0.982 1.00 0.00 N ATOM 0 H GLN A 25 7.531 6.045 0.015 1.00 0.00 H new ATOM 0 HA GLN A 25 4.706 5.397 -0.863 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.037 6.205 1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.845 7.628 0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.186 7.049 -0.317 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.122 7.468 1.384 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.869 9.437 1.875 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.692 10.792 0.755 1.00 0.00 H new ATOM 387 N VAL A 26 6.832 7.699 -1.785 1.00 0.00 N ATOM 388 CA VAL A 26 7.106 8.633 -2.907 1.00 0.00 C ATOM 389 C VAL A 26 7.210 7.856 -4.223 1.00 0.00 C ATOM 390 O VAL A 26 7.266 8.430 -5.293 1.00 0.00 O ATOM 391 CB VAL A 26 8.439 9.283 -2.542 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.203 9.641 -3.813 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.178 10.555 -1.731 1.00 0.00 C ATOM 0 H VAL A 26 7.579 7.619 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 26 6.318 9.373 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 26 9.031 8.585 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.153 10.104 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.389 8.737 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.613 10.338 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.128 11.021 -1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.585 11.250 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.635 10.301 -0.820 1.00 0.00 H new ATOM 403 N LEU A 27 7.232 6.554 -4.149 1.00 0.00 N ATOM 404 CA LEU A 27 7.328 5.740 -5.393 1.00 0.00 C ATOM 405 C LEU A 27 5.934 5.290 -5.836 1.00 0.00 C ATOM 406 O LEU A 27 5.695 5.036 -6.999 1.00 0.00 O ATOM 407 CB LEU A 27 8.186 4.532 -5.011 1.00 0.00 C ATOM 408 CG LEU A 27 8.194 3.525 -6.161 1.00 0.00 C ATOM 409 CD1 LEU A 27 9.307 3.885 -7.147 1.00 0.00 C ATOM 410 CD2 LEU A 27 8.440 2.121 -5.606 1.00 0.00 C ATOM 0 H LEU A 27 7.188 6.019 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 27 7.760 6.300 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.204 4.852 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.793 4.065 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 27 7.232 3.551 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.313 3.167 -7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.133 4.886 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.269 3.859 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.446 1.402 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.402 2.096 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.648 1.864 -4.903 1.00 0.00 H new ATOM 422 N LEU A 28 5.012 5.187 -4.917 1.00 0.00 N ATOM 423 CA LEU A 28 3.640 4.752 -5.288 1.00 0.00 C ATOM 424 C LEU A 28 2.736 5.970 -5.503 1.00 0.00 C ATOM 425 O LEU A 28 3.095 7.083 -5.172 1.00 0.00 O ATOM 426 CB LEU A 28 3.156 3.928 -4.098 1.00 0.00 C ATOM 427 CG LEU A 28 4.209 2.879 -3.736 1.00 0.00 C ATOM 428 CD1 LEU A 28 4.112 2.550 -2.246 1.00 0.00 C ATOM 429 CD2 LEU A 28 3.964 1.608 -4.554 1.00 0.00 C ATOM 0 H LEU A 28 5.152 5.386 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 28 3.623 4.180 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.969 4.579 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.212 3.441 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 28 5.202 3.270 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.863 1.803 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.285 3.454 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.119 2.159 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.714 0.860 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.971 1.218 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.033 1.840 -5.617 1.00 0.00 H new ATOM 441 N SER A 29 1.572 5.774 -6.062 1.00 0.00 N ATOM 442 CA SER A 29 0.665 6.932 -6.301 1.00 0.00 C ATOM 443 C SER A 29 -0.358 7.080 -5.172 1.00 0.00 C ATOM 444 O SER A 29 -0.316 8.022 -4.406 1.00 0.00 O ATOM 445 CB SER A 29 -0.037 6.626 -7.622 1.00 0.00 C ATOM 446 OG SER A 29 -0.825 7.746 -8.005 1.00 0.00 O ATOM 0 H SER A 29 1.212 4.868 -6.362 1.00 0.00 H new ATOM 0 HA SER A 29 1.218 7.870 -6.336 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.698 6.403 -8.395 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.667 5.743 -7.516 1.00 0.00 H new ATOM 0 HG SER A 29 -1.276 7.554 -8.854 1.00 0.00 H new ATOM 452 N SER A 30 -1.286 6.171 -5.069 1.00 0.00 N ATOM 453 CA SER A 30 -2.317 6.288 -3.993 1.00 0.00 C ATOM 454 C SER A 30 -2.712 4.909 -3.459 1.00 0.00 C ATOM 455 O SER A 30 -1.995 3.942 -3.611 1.00 0.00 O ATOM 456 CB SER A 30 -3.513 6.958 -4.667 1.00 0.00 C ATOM 457 OG SER A 30 -3.854 6.236 -5.844 1.00 0.00 O ATOM 0 H SER A 30 -1.378 5.357 -5.677 1.00 0.00 H new ATOM 0 HA SER A 30 -1.948 6.856 -3.139 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.362 6.985 -3.984 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.272 7.991 -4.917 1.00 0.00 H new ATOM 0 HG SER A 30 -4.622 6.662 -6.278 1.00 0.00 H new ATOM 463 N TRP A 31 -3.852 4.820 -2.825 1.00 0.00 N ATOM 464 CA TRP A 31 -4.301 3.512 -2.269 1.00 0.00 C ATOM 465 C TRP A 31 -5.793 3.553 -1.950 1.00 0.00 C ATOM 466 O TRP A 31 -6.397 4.603 -1.873 1.00 0.00 O ATOM 467 CB TRP A 31 -3.526 3.346 -0.965 1.00 0.00 C ATOM 468 CG TRP A 31 -3.995 4.377 0.006 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.709 5.691 -0.081 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.827 4.215 1.193 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.301 6.352 0.980 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.003 5.485 1.793 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.437 3.103 1.802 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.757 5.646 2.956 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.198 3.264 2.973 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.357 4.532 3.548 1.00 0.00 C ATOM 0 H TRP A 31 -4.492 5.599 -2.669 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.129 2.699 -2.974 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.680 2.346 -0.559 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.456 3.455 -1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.114 6.153 -0.854 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.228 7.356 1.142 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.320 2.121 1.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.876 6.625 3.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.663 2.405 3.433 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -6.943 4.648 4.448 1.00 0.00 H new ATOM 487 N TYR A 32 -6.376 2.416 -1.717 1.00 0.00 N ATOM 488 CA TYR A 32 -7.816 2.378 -1.347 1.00 0.00 C ATOM 489 C TYR A 32 -8.072 1.162 -0.462 1.00 0.00 C ATOM 490 O TYR A 32 -7.483 0.118 -0.654 1.00 0.00 O ATOM 491 CB TYR A 32 -8.610 2.297 -2.652 1.00 0.00 C ATOM 492 CG TYR A 32 -8.006 1.272 -3.572 1.00 0.00 C ATOM 493 CD1 TYR A 32 -6.800 1.544 -4.217 1.00 0.00 C ATOM 494 CD2 TYR A 32 -8.664 0.058 -3.790 1.00 0.00 C ATOM 495 CE1 TYR A 32 -6.244 0.597 -5.085 1.00 0.00 C ATOM 496 CE2 TYR A 32 -8.114 -0.888 -4.659 1.00 0.00 C ATOM 497 CZ TYR A 32 -6.902 -0.621 -5.307 1.00 0.00 C ATOM 498 OH TYR A 32 -6.360 -1.553 -6.169 1.00 0.00 O ATOM 0 H TYR A 32 -5.917 1.506 -1.767 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.118 3.263 -0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.647 2.037 -2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.620 3.272 -3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.296 2.484 -4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.597 -0.149 -3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.309 0.804 -5.583 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.624 -1.825 -4.831 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.942 -2.340 -6.207 1.00 0.00 H new ATOM 508 N PRO A 33 -8.932 1.349 0.493 1.00 0.00 N ATOM 509 CA PRO A 33 -9.265 0.263 1.445 1.00 0.00 C ATOM 510 C PRO A 33 -9.942 -0.896 0.711 1.00 0.00 C ATOM 511 O PRO A 33 -10.409 -0.750 -0.400 1.00 0.00 O ATOM 512 CB PRO A 33 -10.208 0.941 2.436 1.00 0.00 C ATOM 513 CG PRO A 33 -10.780 2.084 1.674 1.00 0.00 C ATOM 514 CD PRO A 33 -9.685 2.571 0.771 1.00 0.00 C ATOM 0 HA PRO A 33 -8.396 -0.173 1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.987 0.258 2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.675 1.281 3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.651 1.771 1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.111 2.875 2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.081 3.019 -0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.067 3.327 1.255 1.00 0.00 H new ATOM 522 N THR A 34 -9.984 -2.051 1.315 1.00 0.00 N ATOM 523 CA THR A 34 -10.616 -3.218 0.637 1.00 0.00 C ATOM 524 C THR A 34 -11.937 -3.578 1.321 1.00 0.00 C ATOM 525 O THR A 34 -12.281 -3.040 2.354 1.00 0.00 O ATOM 526 CB THR A 34 -9.605 -4.359 0.786 1.00 0.00 C ATOM 527 OG1 THR A 34 -9.722 -4.925 2.084 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.184 -3.822 0.589 1.00 0.00 C ATOM 0 H THR A 34 -9.610 -2.237 2.245 1.00 0.00 H new ATOM 0 HA THR A 34 -10.847 -3.012 -0.408 1.00 0.00 H new ATOM 0 HB THR A 34 -9.808 -5.121 0.034 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.092 -4.258 2.700 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.469 -4.638 0.696 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.094 -3.388 -0.407 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.977 -3.057 1.338 1.00 0.00 H new ATOM 536 N SER A 35 -12.682 -4.484 0.749 1.00 0.00 N ATOM 537 CA SER A 35 -13.983 -4.879 1.360 1.00 0.00 C ATOM 538 C SER A 35 -13.768 -5.977 2.405 1.00 0.00 C ATOM 539 O SER A 35 -12.825 -5.944 3.170 1.00 0.00 O ATOM 540 CB SER A 35 -14.821 -5.404 0.195 1.00 0.00 C ATOM 541 OG SER A 35 -16.197 -5.158 0.458 1.00 0.00 O ATOM 0 H SER A 35 -12.445 -4.969 -0.117 1.00 0.00 H new ATOM 0 HA SER A 35 -14.468 -4.048 1.871 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.523 -4.915 -0.732 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.650 -6.472 0.061 1.00 0.00 H new ATOM 0 HG SER A 35 -16.737 -5.492 -0.288 1.00 0.00 H new ATOM 547 N GLN A 36 -14.637 -6.950 2.440 1.00 0.00 N ATOM 548 CA GLN A 36 -14.484 -8.051 3.434 1.00 0.00 C ATOM 549 C GLN A 36 -14.917 -9.383 2.813 1.00 0.00 C ATOM 550 O GLN A 36 -15.284 -10.311 3.506 1.00 0.00 O ATOM 551 CB GLN A 36 -15.411 -7.672 4.590 1.00 0.00 C ATOM 552 CG GLN A 36 -14.574 -7.220 5.790 1.00 0.00 C ATOM 553 CD GLN A 36 -15.184 -5.951 6.389 1.00 0.00 C ATOM 554 OE1 GLN A 36 -16.099 -6.022 7.184 1.00 0.00 O ATOM 555 NE2 GLN A 36 -14.713 -4.787 6.037 1.00 0.00 N ATOM 0 H GLN A 36 -15.446 -7.031 1.824 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.452 -8.173 3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.085 -6.873 4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.032 -8.524 4.867 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.540 -8.009 6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.546 -7.031 5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.944 -4.729 5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.113 -3.935 6.430 1.00 0.00 H new ATOM 564 N LEU A 37 -14.878 -9.481 1.512 1.00 0.00 N ATOM 565 CA LEU A 37 -15.292 -10.752 0.848 1.00 0.00 C ATOM 566 C LEU A 37 -14.076 -11.653 0.619 1.00 0.00 C ATOM 567 O LEU A 37 -14.138 -12.853 0.799 1.00 0.00 O ATOM 568 CB LEU A 37 -15.901 -10.321 -0.487 1.00 0.00 C ATOM 569 CG LEU A 37 -17.101 -11.213 -0.811 1.00 0.00 C ATOM 570 CD1 LEU A 37 -18.309 -10.765 0.014 1.00 0.00 C ATOM 571 CD2 LEU A 37 -17.434 -11.095 -2.301 1.00 0.00 C ATOM 0 H LEU A 37 -14.578 -8.738 0.880 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.997 -11.322 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.213 -9.278 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.156 -10.393 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 37 -16.859 -12.248 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -19.164 -11.401 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.074 -10.844 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.551 -9.730 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.289 -11.730 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.676 -10.059 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.575 -11.412 -2.892 1.00 0.00 H new ATOM 583 N CYS A 38 -12.972 -11.084 0.224 1.00 0.00 N ATOM 584 CA CYS A 38 -11.754 -11.910 -0.017 1.00 0.00 C ATOM 585 C CYS A 38 -11.373 -12.682 1.250 1.00 0.00 C ATOM 586 O CYS A 38 -12.142 -12.777 2.185 1.00 0.00 O ATOM 587 CB CYS A 38 -10.658 -10.909 -0.385 1.00 0.00 C ATOM 588 SG CYS A 38 -10.643 -10.668 -2.179 1.00 0.00 S ATOM 0 H CYS A 38 -12.859 -10.084 0.057 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.910 -12.650 -0.802 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -10.834 -9.959 0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.688 -11.274 -0.048 1.00 0.00 H new ATOM 593 N SER A 39 -10.193 -13.240 1.283 1.00 0.00 N ATOM 594 CA SER A 39 -9.765 -14.012 2.485 1.00 0.00 C ATOM 595 C SER A 39 -9.157 -13.079 3.535 1.00 0.00 C ATOM 596 O SER A 39 -9.232 -13.331 4.721 1.00 0.00 O ATOM 597 CB SER A 39 -8.714 -14.993 1.970 1.00 0.00 C ATOM 598 OG SER A 39 -8.184 -14.511 0.741 1.00 0.00 O ATOM 0 H SER A 39 -9.507 -13.195 0.530 1.00 0.00 H new ATOM 0 HA SER A 39 -10.602 -14.520 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.916 -15.107 2.704 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.158 -15.978 1.826 1.00 0.00 H new ATOM 0 HG SER A 39 -7.508 -15.137 0.408 1.00 0.00 H new ATOM 604 N LYS A 40 -8.554 -12.003 3.110 1.00 0.00 N ATOM 605 CA LYS A 40 -7.940 -11.060 4.089 1.00 0.00 C ATOM 606 C LYS A 40 -7.941 -9.634 3.531 1.00 0.00 C ATOM 607 O LYS A 40 -7.097 -9.277 2.733 1.00 0.00 O ATOM 608 CB LYS A 40 -6.508 -11.562 4.277 1.00 0.00 C ATOM 609 CG LYS A 40 -6.269 -11.881 5.754 1.00 0.00 C ATOM 610 CD LYS A 40 -5.013 -12.742 5.894 1.00 0.00 C ATOM 611 CE LYS A 40 -3.869 -12.112 5.098 1.00 0.00 C ATOM 612 NZ LYS A 40 -3.573 -10.831 5.797 1.00 0.00 N ATOM 0 H LYS A 40 -8.460 -11.736 2.130 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.489 -11.029 5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.341 -12.452 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.799 -10.807 3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.155 -10.958 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.130 -12.406 6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.734 -12.829 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.209 -13.751 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.995 -12.763 5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.158 -11.938 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.563 -10.605 5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.142 -10.068 5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.807 -10.924 6.806 1.00 0.00 H new ATOM 626 N PRO A 41 -8.895 -8.866 3.978 1.00 0.00 N ATOM 627 CA PRO A 41 -9.021 -7.458 3.528 1.00 0.00 C ATOM 628 C PRO A 41 -7.911 -6.596 4.137 1.00 0.00 C ATOM 629 O PRO A 41 -6.991 -7.097 4.753 1.00 0.00 O ATOM 630 CB PRO A 41 -10.385 -7.034 4.055 1.00 0.00 C ATOM 631 CG PRO A 41 -10.640 -7.931 5.218 1.00 0.00 C ATOM 632 CD PRO A 41 -9.941 -9.233 4.936 1.00 0.00 C ATOM 0 HA PRO A 41 -8.932 -7.347 2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.384 -5.986 4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.156 -7.146 3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.264 -7.484 6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.710 -8.090 5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.519 -9.666 5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.625 -9.972 4.519 1.00 0.00 H new ATOM 640 N GLY A 42 -7.991 -5.305 3.970 1.00 0.00 N ATOM 641 CA GLY A 42 -6.941 -4.413 4.541 1.00 0.00 C ATOM 642 C GLY A 42 -6.752 -3.197 3.635 1.00 0.00 C ATOM 643 O GLY A 42 -7.703 -2.629 3.137 1.00 0.00 O ATOM 0 H GLY A 42 -8.737 -4.829 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.228 -4.092 5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.001 -4.957 4.638 1.00 0.00 H new ATOM 647 N VAL A 43 -5.531 -2.793 3.412 1.00 0.00 N ATOM 648 CA VAL A 43 -5.289 -1.616 2.531 1.00 0.00 C ATOM 649 C VAL A 43 -4.469 -2.022 1.310 1.00 0.00 C ATOM 650 O VAL A 43 -3.422 -2.625 1.419 1.00 0.00 O ATOM 651 CB VAL A 43 -4.512 -0.614 3.389 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.571 0.207 2.503 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.492 0.340 4.072 1.00 0.00 C ATOM 0 H VAL A 43 -4.693 -3.226 3.801 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.222 -1.192 2.160 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.936 -1.160 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.020 0.919 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.869 -0.460 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.153 0.747 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.939 1.054 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.064 0.877 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.172 -0.229 4.705 1.00 0.00 H new ATOM 663 N ILE A 44 -4.933 -1.670 0.148 1.00 0.00 N ATOM 664 CA ILE A 44 -4.182 -2.005 -1.088 1.00 0.00 C ATOM 665 C ILE A 44 -3.608 -0.711 -1.669 1.00 0.00 C ATOM 666 O ILE A 44 -4.267 0.310 -1.695 1.00 0.00 O ATOM 667 CB ILE A 44 -5.222 -2.636 -2.021 1.00 0.00 C ATOM 668 CG1 ILE A 44 -4.625 -2.837 -3.417 1.00 0.00 C ATOM 669 CG2 ILE A 44 -6.446 -1.725 -2.113 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.440 -1.483 -4.102 1.00 0.00 C ATOM 0 H ILE A 44 -5.805 -1.162 0.000 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.346 -2.686 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.518 -3.605 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.667 -3.351 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.280 -3.471 -4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.185 -2.174 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.879 -1.597 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.148 -0.753 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.015 -1.632 -5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.406 -0.986 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.767 -0.864 -3.509 1.00 0.00 H new ATOM 682 N PHE A 45 -2.383 -0.732 -2.108 1.00 0.00 N ATOM 683 CA PHE A 45 -1.773 0.510 -2.651 1.00 0.00 C ATOM 684 C PHE A 45 -1.607 0.419 -4.167 1.00 0.00 C ATOM 685 O PHE A 45 -1.572 -0.651 -4.741 1.00 0.00 O ATOM 686 CB PHE A 45 -0.396 0.577 -1.991 1.00 0.00 C ATOM 687 CG PHE A 45 -0.536 0.932 -0.531 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.723 2.264 -0.148 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.469 -0.075 0.442 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.845 2.591 1.209 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.590 0.252 1.795 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.778 1.583 2.179 1.00 0.00 C ATOM 0 H PHE A 45 -1.779 -1.554 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.390 1.386 -2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.111 -0.382 -2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.222 1.320 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.773 3.040 -0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.324 -1.103 0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.991 3.619 1.507 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.538 -0.524 2.545 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.872 1.834 3.225 1.00 0.00 H new ATOM 702 N LEU A 46 -1.487 1.541 -4.816 1.00 0.00 N ATOM 703 CA LEU A 46 -1.301 1.538 -6.291 1.00 0.00 C ATOM 704 C LEU A 46 -0.095 2.402 -6.647 1.00 0.00 C ATOM 705 O LEU A 46 -0.007 3.553 -6.263 1.00 0.00 O ATOM 706 CB LEU A 46 -2.577 2.147 -6.866 1.00 0.00 C ATOM 707 CG LEU A 46 -3.234 1.154 -7.827 1.00 0.00 C ATOM 708 CD1 LEU A 46 -3.274 -0.233 -7.184 1.00 0.00 C ATOM 709 CD2 LEU A 46 -4.660 1.615 -8.137 1.00 0.00 C ATOM 0 H LEU A 46 -1.510 2.465 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.125 0.538 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.267 2.399 -6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.345 3.075 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.657 1.107 -8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.742 -0.939 -7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.258 -0.561 -6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.850 -0.189 -6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.130 0.909 -8.822 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.236 1.663 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.631 2.602 -8.598 1.00 0.00 H new ATOM 721 N THR A 47 0.835 1.858 -7.376 1.00 0.00 N ATOM 722 CA THR A 47 2.039 2.648 -7.752 1.00 0.00 C ATOM 723 C THR A 47 1.635 3.827 -8.630 1.00 0.00 C ATOM 724 O THR A 47 0.539 4.339 -8.533 1.00 0.00 O ATOM 725 CB THR A 47 2.927 1.679 -8.539 1.00 0.00 C ATOM 726 OG1 THR A 47 2.322 1.394 -9.796 1.00 0.00 O ATOM 727 CG2 THR A 47 3.097 0.383 -7.745 1.00 0.00 C ATOM 0 H THR A 47 0.815 0.901 -7.728 1.00 0.00 H new ATOM 0 HA THR A 47 2.553 3.054 -6.881 1.00 0.00 H new ATOM 0 HB THR A 47 3.904 2.133 -8.703 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.000 1.054 -10.416 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.729 -0.307 -8.305 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.563 0.603 -6.784 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.121 -0.073 -7.579 1.00 0.00 H new ATOM 735 N LYS A 48 2.511 4.246 -9.493 1.00 0.00 N ATOM 736 CA LYS A 48 2.190 5.375 -10.404 1.00 0.00 C ATOM 737 C LYS A 48 2.229 4.862 -11.841 1.00 0.00 C ATOM 738 O LYS A 48 2.259 5.619 -12.791 1.00 0.00 O ATOM 739 CB LYS A 48 3.287 6.410 -10.161 1.00 0.00 C ATOM 740 CG LYS A 48 2.858 7.350 -9.034 1.00 0.00 C ATOM 741 CD LYS A 48 3.911 8.444 -8.854 1.00 0.00 C ATOM 742 CE LYS A 48 3.421 9.457 -7.817 1.00 0.00 C ATOM 743 NZ LYS A 48 2.405 10.278 -8.533 1.00 0.00 N ATOM 0 H LYS A 48 3.445 3.852 -9.608 1.00 0.00 H new ATOM 0 HA LYS A 48 1.204 5.805 -10.230 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.220 5.912 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.474 6.978 -11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.891 7.796 -9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.737 6.791 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.855 8.005 -8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.099 8.943 -9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.986 8.957 -6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.241 10.075 -7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.507 11.275 -8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.546 10.187 -9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.452 9.945 -8.284 1.00 0.00 H new ATOM 757 N ARG A 49 2.237 3.565 -11.994 1.00 0.00 N ATOM 758 CA ARG A 49 2.285 2.959 -13.350 1.00 0.00 C ATOM 759 C ARG A 49 1.109 1.998 -13.540 1.00 0.00 C ATOM 760 O ARG A 49 0.130 2.318 -14.183 1.00 0.00 O ATOM 761 CB ARG A 49 3.609 2.196 -13.376 1.00 0.00 C ATOM 762 CG ARG A 49 4.717 3.112 -13.895 1.00 0.00 C ATOM 763 CD ARG A 49 5.424 3.777 -12.712 1.00 0.00 C ATOM 764 NE ARG A 49 6.847 3.896 -13.130 1.00 0.00 N ATOM 765 CZ ARG A 49 7.763 4.192 -12.249 1.00 0.00 C ATOM 766 NH1 ARG A 49 7.714 3.664 -11.055 1.00 0.00 N ATOM 767 NH2 ARG A 49 8.727 5.015 -12.559 1.00 0.00 N ATOM 0 H ARG A 49 2.212 2.894 -11.226 1.00 0.00 H new ATOM 0 HA ARG A 49 2.217 3.701 -14.146 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.856 1.841 -12.375 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.521 1.317 -14.014 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.432 2.538 -14.484 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.297 3.871 -14.555 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.994 4.755 -12.494 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.328 3.177 -11.807 1.00 0.00 H new ATOM 0 HE ARG A 49 7.106 3.746 -14.105 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.960 3.021 -10.812 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.429 3.895 -10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.765 5.428 -13.491 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.442 5.245 -11.869 1.00 0.00 H new ATOM 781 N GLY A 50 1.204 0.823 -12.985 1.00 0.00 N ATOM 782 CA GLY A 50 0.095 -0.163 -13.129 1.00 0.00 C ATOM 783 C GLY A 50 0.327 -1.346 -12.184 1.00 0.00 C ATOM 784 O GLY A 50 -0.133 -2.443 -12.427 1.00 0.00 O ATOM 0 H GLY A 50 2.002 0.501 -12.437 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.859 0.313 -12.903 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.040 -0.514 -14.159 1.00 0.00 H new ATOM 788 N ARG A 51 1.033 -1.131 -11.107 1.00 0.00 N ATOM 789 CA ARG A 51 1.287 -2.246 -10.148 1.00 0.00 C ATOM 790 C ARG A 51 0.510 -2.010 -8.851 1.00 0.00 C ATOM 791 O ARG A 51 0.473 -0.912 -8.331 1.00 0.00 O ATOM 792 CB ARG A 51 2.794 -2.213 -9.884 1.00 0.00 C ATOM 793 CG ARG A 51 3.411 -3.556 -10.277 1.00 0.00 C ATOM 794 CD ARG A 51 3.308 -3.742 -11.792 1.00 0.00 C ATOM 795 NE ARG A 51 4.314 -2.804 -12.365 1.00 0.00 N ATOM 796 CZ ARG A 51 4.465 -2.720 -13.658 1.00 0.00 C ATOM 797 NH1 ARG A 51 3.636 -3.337 -14.456 1.00 0.00 N ATOM 798 NH2 ARG A 51 5.447 -2.018 -14.156 1.00 0.00 N ATOM 0 H ARG A 51 1.444 -0.234 -10.849 1.00 0.00 H new ATOM 0 HA ARG A 51 0.966 -3.210 -10.542 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.256 -1.408 -10.455 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.985 -2.007 -8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.455 -3.594 -9.966 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.896 -4.369 -9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.521 -4.772 -12.079 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.305 -3.512 -12.151 1.00 0.00 H new ATOM 0 HE ARG A 51 4.885 -2.228 -11.746 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.869 -3.886 -14.069 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.756 -3.270 -15.467 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.096 -1.536 -13.534 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.565 -1.952 -15.167 1.00 0.00 H new ATOM 812 N GLN A 52 -0.121 -3.026 -8.328 1.00 0.00 N ATOM 813 CA GLN A 52 -0.901 -2.849 -7.075 1.00 0.00 C ATOM 814 C GLN A 52 -0.212 -3.559 -5.906 1.00 0.00 C ATOM 815 O GLN A 52 0.520 -4.512 -6.087 1.00 0.00 O ATOM 816 CB GLN A 52 -2.255 -3.496 -7.364 1.00 0.00 C ATOM 817 CG GLN A 52 -2.580 -3.383 -8.856 1.00 0.00 C ATOM 818 CD GLN A 52 -4.097 -3.370 -9.049 1.00 0.00 C ATOM 819 OE1 GLN A 52 -4.598 -2.781 -9.987 1.00 0.00 O ATOM 820 NE2 GLN A 52 -4.855 -4.000 -8.194 1.00 0.00 N ATOM 0 H GLN A 52 -0.129 -3.969 -8.716 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.993 -1.800 -6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.238 -4.544 -7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.033 -3.009 -6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.143 -2.473 -9.266 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.141 -4.220 -9.399 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.434 -4.494 -7.407 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.868 -3.998 -8.313 1.00 0.00 H new ATOM 829 N VAL A 53 -0.448 -3.098 -4.709 1.00 0.00 N ATOM 830 CA VAL A 53 0.178 -3.729 -3.517 1.00 0.00 C ATOM 831 C VAL A 53 -0.860 -3.851 -2.396 1.00 0.00 C ATOM 832 O VAL A 53 -1.909 -3.247 -2.448 1.00 0.00 O ATOM 833 CB VAL A 53 1.298 -2.766 -3.120 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.509 -2.825 -1.610 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.591 -3.170 -3.831 1.00 0.00 C ATOM 0 H VAL A 53 -1.054 -2.303 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 53 0.555 -4.733 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 53 1.025 -1.751 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.307 -2.139 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.588 -2.539 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.783 -3.839 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.390 -2.485 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.864 -4.185 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.441 -3.129 -4.910 1.00 0.00 H new ATOM 845 N CYS A 54 -0.584 -4.628 -1.384 1.00 0.00 N ATOM 846 CA CYS A 54 -1.569 -4.774 -0.281 1.00 0.00 C ATOM 847 C CYS A 54 -0.853 -4.999 1.051 1.00 0.00 C ATOM 848 O CYS A 54 -0.038 -5.887 1.180 1.00 0.00 O ATOM 849 CB CYS A 54 -2.372 -6.009 -0.655 1.00 0.00 C ATOM 850 SG CYS A 54 -4.086 -5.801 -0.118 1.00 0.00 S ATOM 0 H CYS A 54 0.277 -5.164 -1.276 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.190 -3.886 -0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.334 -6.167 -1.733 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.938 -6.893 -0.188 1.00 0.00 H new ATOM 855 N ALA A 55 -1.152 -4.208 2.045 1.00 0.00 N ATOM 856 CA ALA A 55 -0.484 -4.398 3.362 1.00 0.00 C ATOM 857 C ALA A 55 -1.448 -4.063 4.501 1.00 0.00 C ATOM 858 O ALA A 55 -2.489 -3.467 4.294 1.00 0.00 O ATOM 859 CB ALA A 55 0.694 -3.427 3.352 1.00 0.00 C ATOM 0 H ALA A 55 -1.826 -3.443 2.002 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.162 -5.428 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.239 -3.507 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.360 -3.672 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.325 -2.408 3.232 1.00 0.00 H new ATOM 865 N ASP A 56 -1.110 -4.441 5.702 1.00 0.00 N ATOM 866 CA ASP A 56 -2.002 -4.142 6.855 1.00 0.00 C ATOM 867 C ASP A 56 -1.851 -2.676 7.261 1.00 0.00 C ATOM 868 O ASP A 56 -0.780 -2.229 7.622 1.00 0.00 O ATOM 869 CB ASP A 56 -1.526 -5.066 7.976 1.00 0.00 C ATOM 870 CG ASP A 56 -2.542 -5.045 9.119 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.691 -4.727 8.859 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.155 -5.345 10.237 1.00 0.00 O ATOM 0 H ASP A 56 -0.254 -4.944 5.934 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.055 -4.302 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.408 -6.082 7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.549 -4.744 8.337 1.00 0.00 H new ATOM 877 N LYS A 57 -2.913 -1.922 7.201 1.00 0.00 N ATOM 878 CA LYS A 57 -2.825 -0.483 7.578 1.00 0.00 C ATOM 879 C LYS A 57 -2.166 -0.332 8.953 1.00 0.00 C ATOM 880 O LYS A 57 -1.687 0.726 9.309 1.00 0.00 O ATOM 881 CB LYS A 57 -4.274 0.005 7.623 1.00 0.00 C ATOM 882 CG LYS A 57 -4.312 1.511 7.354 1.00 0.00 C ATOM 883 CD LYS A 57 -5.748 1.939 7.044 1.00 0.00 C ATOM 884 CE LYS A 57 -6.469 2.289 8.348 1.00 0.00 C ATOM 885 NZ LYS A 57 -7.547 1.270 8.476 1.00 0.00 N ATOM 0 H LYS A 57 -3.837 -2.239 6.908 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.222 0.090 6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.871 -0.524 6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.713 -0.213 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.938 2.055 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.659 1.758 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.746 2.799 6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.275 1.136 6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.788 2.252 9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.881 3.298 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.087 1.443 9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.184 1.333 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.124 0.320 8.514 1.00 0.00 H new ATOM 899 N SER A 58 -2.138 -1.383 9.728 1.00 0.00 N ATOM 900 CA SER A 58 -1.510 -1.296 11.078 1.00 0.00 C ATOM 901 C SER A 58 0.015 -1.275 10.955 1.00 0.00 C ATOM 902 O SER A 58 0.726 -1.238 11.940 1.00 0.00 O ATOM 903 CB SER A 58 -1.974 -2.552 11.813 1.00 0.00 C ATOM 904 OG SER A 58 -1.043 -3.601 11.583 1.00 0.00 O ATOM 0 H SER A 58 -2.522 -2.296 9.485 1.00 0.00 H new ATOM 0 HA SER A 58 -1.795 -0.387 11.607 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.058 -2.352 12.881 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.964 -2.846 11.465 1.00 0.00 H new ATOM 0 HG SER A 58 -1.525 -4.420 11.343 1.00 0.00 H new ATOM 910 N LYS A 59 0.522 -1.296 9.755 1.00 0.00 N ATOM 911 CA LYS A 59 2.000 -1.274 9.569 1.00 0.00 C ATOM 912 C LYS A 59 2.514 0.164 9.596 1.00 0.00 C ATOM 913 O LYS A 59 2.113 0.994 8.808 1.00 0.00 O ATOM 914 CB LYS A 59 2.232 -1.901 8.197 1.00 0.00 C ATOM 915 CG LYS A 59 2.528 -3.393 8.358 1.00 0.00 C ATOM 916 CD LYS A 59 4.034 -3.600 8.530 1.00 0.00 C ATOM 917 CE LYS A 59 4.352 -3.836 10.008 1.00 0.00 C ATOM 918 NZ LYS A 59 3.875 -5.220 10.286 1.00 0.00 N ATOM 0 H LYS A 59 -0.023 -1.327 8.894 1.00 0.00 H new ATOM 0 HA LYS A 59 2.525 -1.812 10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.353 -1.760 7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.064 -1.407 7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.995 -3.789 9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.172 -3.941 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.365 -4.452 7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.576 -2.727 8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.420 -3.740 10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.845 -3.109 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.211 -5.204 11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.394 -5.597 9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.687 -5.826 10.522 1.00 0.00 H new ATOM 932 N ASP A 60 3.396 0.461 10.503 1.00 0.00 N ATOM 933 CA ASP A 60 3.940 1.844 10.595 1.00 0.00 C ATOM 934 C ASP A 60 4.236 2.408 9.200 1.00 0.00 C ATOM 935 O ASP A 60 3.700 3.425 8.808 1.00 0.00 O ATOM 936 CB ASP A 60 5.229 1.698 11.401 1.00 0.00 C ATOM 937 CG ASP A 60 4.920 1.863 12.890 1.00 0.00 C ATOM 938 OD1 ASP A 60 3.762 2.061 13.216 1.00 0.00 O ATOM 939 OD2 ASP A 60 5.848 1.790 13.679 1.00 0.00 O ATOM 0 H ASP A 60 3.767 -0.196 11.189 1.00 0.00 H new ATOM 0 HA ASP A 60 3.235 2.533 11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.677 0.721 11.218 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.956 2.446 11.084 1.00 0.00 H new ATOM 944 N TRP A 61 5.092 1.765 8.451 1.00 0.00 N ATOM 945 CA TRP A 61 5.420 2.283 7.090 1.00 0.00 C ATOM 946 C TRP A 61 4.150 2.441 6.255 1.00 0.00 C ATOM 947 O TRP A 61 3.984 3.406 5.534 1.00 0.00 O ATOM 948 CB TRP A 61 6.359 1.239 6.477 1.00 0.00 C ATOM 949 CG TRP A 61 5.590 0.052 5.988 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.262 -1.016 6.743 1.00 0.00 C ATOM 951 CD2 TRP A 61 5.071 -0.218 4.652 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.582 -1.932 5.958 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.438 -1.482 4.659 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.088 0.504 3.447 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.848 -2.014 3.509 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.492 -0.027 2.290 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.874 -1.286 2.322 1.00 0.00 C ATOM 0 H TRP A 61 5.576 0.908 8.720 1.00 0.00 H new ATOM 0 HA TRP A 61 5.886 3.268 7.127 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.914 1.683 5.651 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.092 0.922 7.219 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.492 -1.137 7.791 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.231 -2.828 6.296 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.562 1.474 3.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.375 -2.984 3.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.510 0.538 1.370 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.420 -1.689 1.429 1.00 0.00 H new ATOM 968 N VAL A 62 3.245 1.510 6.352 1.00 0.00 N ATOM 969 CA VAL A 62 1.988 1.618 5.571 1.00 0.00 C ATOM 970 C VAL A 62 1.158 2.808 6.068 1.00 0.00 C ATOM 971 O VAL A 62 0.820 3.696 5.314 1.00 0.00 O ATOM 972 CB VAL A 62 1.270 0.295 5.827 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.231 0.515 5.775 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.662 -0.712 4.750 1.00 0.00 C ATOM 0 H VAL A 62 3.323 0.679 6.939 1.00 0.00 H new ATOM 0 HA VAL A 62 2.160 1.788 4.508 1.00 0.00 H new ATOM 0 HB VAL A 62 1.553 -0.085 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.744 -0.429 5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.519 1.238 6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.509 0.895 4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.150 -1.657 4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.377 -0.327 3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.740 -0.872 4.777 1.00 0.00 H new ATOM 984 N LYS A 63 0.828 2.836 7.329 1.00 0.00 N ATOM 985 CA LYS A 63 0.029 3.967 7.859 1.00 0.00 C ATOM 986 C LYS A 63 0.531 5.280 7.257 1.00 0.00 C ATOM 987 O LYS A 63 -0.234 6.064 6.733 1.00 0.00 O ATOM 988 CB LYS A 63 0.265 3.924 9.365 1.00 0.00 C ATOM 989 CG LYS A 63 -0.971 4.454 10.083 1.00 0.00 C ATOM 990 CD LYS A 63 -0.602 4.877 11.505 1.00 0.00 C ATOM 991 CE LYS A 63 -1.813 5.528 12.176 1.00 0.00 C ATOM 992 NZ LYS A 63 -2.024 4.750 13.429 1.00 0.00 N ATOM 0 H LYS A 63 1.079 2.122 8.013 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.031 3.897 7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.475 2.903 9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.137 4.524 9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.384 5.302 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.744 3.686 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.277 4.010 12.080 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.234 5.576 11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.627 6.580 12.391 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.691 5.485 11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.839 5.138 13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.206 3.754 13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.174 4.815 14.025 1.00 0.00 H new ATOM 1006 N LYS A 64 1.813 5.518 7.303 1.00 0.00 N ATOM 1007 CA LYS A 64 2.341 6.773 6.703 1.00 0.00 C ATOM 1008 C LYS A 64 1.907 6.835 5.240 1.00 0.00 C ATOM 1009 O LYS A 64 1.523 7.871 4.735 1.00 0.00 O ATOM 1010 CB LYS A 64 3.864 6.667 6.811 1.00 0.00 C ATOM 1011 CG LYS A 64 4.516 7.573 5.764 1.00 0.00 C ATOM 1012 CD LYS A 64 6.033 7.574 5.961 1.00 0.00 C ATOM 1013 CE LYS A 64 6.449 8.836 6.721 1.00 0.00 C ATOM 1014 NZ LYS A 64 6.698 8.379 8.117 1.00 0.00 N ATOM 0 H LYS A 64 2.510 4.905 7.725 1.00 0.00 H new ATOM 0 HA LYS A 64 1.975 7.671 7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.189 6.956 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.179 5.634 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.269 7.223 4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.127 8.587 5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.339 6.686 6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.536 7.536 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.343 9.282 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.666 9.594 6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.377 9.109 8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.176 7.497 8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.716 8.211 8.251 1.00 0.00 H new ATOM 1028 N LEU A 65 1.956 5.721 4.559 1.00 0.00 N ATOM 1029 CA LEU A 65 1.537 5.702 3.132 1.00 0.00 C ATOM 1030 C LEU A 65 0.083 6.158 3.009 1.00 0.00 C ATOM 1031 O LEU A 65 -0.217 7.118 2.338 1.00 0.00 O ATOM 1032 CB LEU A 65 1.679 4.243 2.693 1.00 0.00 C ATOM 1033 CG LEU A 65 3.101 3.999 2.194 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.499 2.551 2.469 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.159 4.256 0.690 1.00 0.00 C ATOM 0 H LEU A 65 2.269 4.824 4.932 1.00 0.00 H new ATOM 0 HA LEU A 65 2.137 6.371 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.455 3.578 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.961 4.018 1.904 1.00 0.00 H new ATOM 0 HG LEU A 65 3.786 4.671 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.514 2.379 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.454 2.358 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.814 1.881 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.173 4.083 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.472 3.581 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.873 5.288 0.486 1.00 0.00 H new HETATM 1047 N MSE A 66 -0.821 5.474 3.649 1.00 0.00 N HETATM 1048 CA MSE A 66 -2.256 5.873 3.561 1.00 0.00 C HETATM 1049 C MSE A 66 -2.435 7.326 4.015 1.00 0.00 C HETATM 1050 O MSE A 66 -3.352 8.007 3.604 1.00 0.00 O HETATM 1051 CB MSE A 66 -2.991 4.924 4.505 1.00 0.00 C HETATM 1052 CG MSE A 66 -2.435 5.083 5.922 1.00 0.00 C HETATM 1053 SE MSE A 66 -3.934 4.359 7.137 1.00 0.00 SE HETATM 1054 CE MSE A 66 -5.402 5.689 6.564 1.00 0.00 C HETATM 0 H MSE A 66 -0.631 4.657 4.229 1.00 0.00 H new HETATM 0 HA MSE A 66 -2.637 5.811 2.542 1.00 0.00 H new HETATM 0 HB2 MSE A 66 -4.059 5.140 4.496 1.00 0.00 H new HETATM 0 HB3 MSE A 66 -2.871 3.894 4.169 1.00 0.00 H new HETATM 0 HG2 MSE A 66 -1.510 4.521 6.052 1.00 0.00 H new HETATM 0 HG3 MSE A 66 -2.209 6.125 6.147 1.00 0.00 H new HETATM 0 HE1 MSE A 66 -6.321 5.475 7.110 1.00 0.00 H new HETATM 0 HE2 MSE A 66 -5.078 6.706 6.784 1.00 0.00 H new HETATM 0 HE3 MSE A 66 -5.585 5.590 5.494 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.566 7.802 4.865 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.688 9.208 5.349 1.00 0.00 C ATOM 1066 C GLN A 67 -1.236 10.191 4.263 1.00 0.00 C ATOM 1067 O GLN A 67 -1.853 11.215 4.045 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.764 9.288 6.565 1.00 0.00 C ATOM 1069 CG GLN A 67 -0.943 10.642 7.256 1.00 0.00 C ATOM 1070 CD GLN A 67 0.430 11.255 7.538 1.00 0.00 C ATOM 1071 OE1 GLN A 67 1.374 10.550 7.838 1.00 0.00 O ATOM 1072 NE2 GLN A 67 0.581 12.548 7.456 1.00 0.00 N ATOM 0 H GLN A 67 -0.777 7.279 5.245 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.717 9.469 5.598 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.991 8.480 7.261 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.273 9.160 6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.529 11.310 6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.496 10.517 8.187 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.211 13.139 7.204 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.491 12.968 7.644 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.164 9.889 3.583 1.00 0.00 N ATOM 1082 CA GLN A 68 0.326 10.810 2.515 1.00 0.00 C ATOM 1083 C GLN A 68 -0.412 10.535 1.203 1.00 0.00 C ATOM 1084 O GLN A 68 -0.650 11.424 0.409 1.00 0.00 O ATOM 1085 CB GLN A 68 1.811 10.483 2.369 1.00 0.00 C ATOM 1086 CG GLN A 68 2.597 11.153 3.497 1.00 0.00 C ATOM 1087 CD GLN A 68 2.538 12.673 3.330 1.00 0.00 C ATOM 1088 OE1 GLN A 68 1.859 13.175 2.457 1.00 0.00 O ATOM 1089 NE2 GLN A 68 3.227 13.432 4.139 1.00 0.00 N ATOM 0 H GLN A 68 0.394 9.046 3.719 1.00 0.00 H new ATOM 0 HA GLN A 68 0.158 11.858 2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.961 9.404 2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.177 10.829 1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.182 10.867 4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.633 10.815 3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.797 13.010 4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.195 14.446 4.038 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.773 9.305 0.974 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.493 8.949 -0.279 1.00 0.00 C ATOM 1100 C LEU A 69 -2.997 9.175 -0.103 1.00 0.00 C ATOM 1101 O LEU A 69 -3.512 9.119 0.997 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.210 7.459 -0.495 1.00 0.00 C ATOM 1103 CG LEU A 69 0.253 7.133 -0.189 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.355 5.686 0.290 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.093 7.291 -1.454 1.00 0.00 C ATOM 0 H LEU A 69 -0.599 8.524 1.607 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.168 9.556 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.861 6.864 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.440 7.186 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 69 0.619 7.812 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.396 5.448 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.245 5.558 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.013 5.018 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.134 7.058 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.725 6.611 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.020 8.317 -1.813 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.651 9.424 -1.203 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.108 9.662 -1.191 1.00 0.00 C ATOM 1119 C PRO A 70 -5.872 8.333 -1.252 1.00 0.00 C ATOM 1120 O PRO A 70 -5.757 7.585 -2.203 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.336 10.474 -2.462 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.199 10.119 -3.380 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.093 9.510 -2.552 1.00 0.00 C ATOM 0 HA PRO A 70 -5.455 10.168 -0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.297 10.230 -2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.347 11.543 -2.247 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.533 9.416 -4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.839 11.007 -3.900 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.811 8.527 -2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.196 10.128 -2.572 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.652 8.032 -0.247 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.420 6.751 -0.259 1.00 0.00 C ATOM 1133 C VAL A 71 -8.357 6.709 -1.468 1.00 0.00 C ATOM 1134 O VAL A 71 -9.541 6.956 -1.355 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.234 6.753 1.035 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -8.863 8.131 1.231 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.341 5.700 0.940 1.00 0.00 C ATOM 0 H VAL A 71 -6.790 8.615 0.579 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.763 5.884 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.583 6.523 1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.445 8.138 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.077 8.884 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.516 8.356 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.923 5.700 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.994 5.933 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.896 4.716 0.792 1.00 0.00 H new ATOM 1147 N THR A 72 -7.835 6.399 -2.620 1.00 0.00 N ATOM 1148 CA THR A 72 -8.693 6.339 -3.839 1.00 0.00 C ATOM 1149 C THR A 72 -10.056 5.734 -3.492 1.00 0.00 C ATOM 1150 O THR A 72 -10.147 4.750 -2.783 1.00 0.00 O ATOM 1151 CB THR A 72 -7.934 5.435 -4.812 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.826 4.847 -4.145 1.00 0.00 O ATOM 1153 CG2 THR A 72 -7.437 6.263 -5.998 1.00 0.00 C ATOM 0 H THR A 72 -6.850 6.184 -2.773 1.00 0.00 H new ATOM 0 HA THR A 72 -8.882 7.325 -4.264 1.00 0.00 H new ATOM 0 HB THR A 72 -8.599 4.650 -5.173 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.251 4.397 -4.799 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.896 5.618 -6.691 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.288 6.713 -6.510 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.772 7.049 -5.640 1.00 0.00 H new ATOM 1161 N ALA A 73 -11.117 6.316 -3.979 1.00 0.00 N ATOM 1162 CA ALA A 73 -12.471 5.775 -3.671 1.00 0.00 C ATOM 1163 C ALA A 73 -13.057 5.069 -4.897 1.00 0.00 C ATOM 1164 O ALA A 73 -13.168 5.644 -5.961 1.00 0.00 O ATOM 1165 CB ALA A 73 -13.312 6.998 -3.305 1.00 0.00 C ATOM 0 H ALA A 73 -11.105 7.142 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.446 5.040 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.327 6.683 -3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.872 7.497 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.337 7.688 -4.148 1.00 0.00 H new ATOM 1171 N ARG A 74 -13.431 3.827 -4.755 1.00 0.00 N ATOM 1172 CA ARG A 74 -14.011 3.086 -5.912 1.00 0.00 C ATOM 1173 C ARG A 74 -13.222 3.394 -7.187 1.00 0.00 C ATOM 1174 CB ARG A 74 -15.447 3.597 -6.032 1.00 0.00 C ATOM 1175 CG ARG A 74 -16.410 2.409 -6.091 1.00 0.00 C ATOM 1176 CD ARG A 74 -17.312 2.420 -4.854 1.00 0.00 C ATOM 1177 NE ARG A 74 -18.695 2.550 -5.390 1.00 0.00 N ATOM 1178 CZ ARG A 74 -19.100 3.687 -5.884 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -19.251 4.721 -5.102 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -19.354 3.791 -7.160 1.00 0.00 N ATOM 0 H ARG A 74 -13.360 3.293 -3.889 1.00 0.00 H new ATOM 0 HA ARG A 74 -13.975 2.006 -5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.690 4.233 -5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.553 4.209 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -17.015 2.463 -6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.850 1.475 -6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.198 1.505 -4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -17.065 3.250 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 74 -19.326 1.749 -5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.052 4.640 -4.105 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.568 5.610 -5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -19.236 2.983 -7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.671 4.680 -7.546 1.00 0.00 H new TER 1194 ARG A 74