USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 835 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 69 THR OG1 : rot 180:sc= 0.143 USER MOD Set 1.2: A 70 SER OG : rot -170:sc= 0.0627 USER MOD Single : A 1 ALA N :NH3+ -123:sc= 1.15 (180deg=-0.685) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.0638 X(o=-0.064,f=-0.13) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= 0.213 K(o=0.21,f=-1.5) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.31) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 1.15 (180deg=0.747) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -6.15 K(o=-6.1,f=-5.5!) USER MOD Single : A 63 CYS SG : rot -78:sc= -0.405 USER MOD Single : A 64 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.52) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 72 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.00063) USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= 1.28 (180deg=1.1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.131 K(o=-0.13,f=-4.8!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.636 -9.424 -1.610 1.00 0.00 N ATOM 2 CA ALA A 1 12.037 -8.109 -1.888 1.00 0.00 C ATOM 3 C ALA A 1 11.366 -8.087 -3.262 1.00 0.00 C ATOM 4 O ALA A 1 11.533 -8.997 -4.071 1.00 0.00 O ATOM 5 CB ALA A 1 13.081 -6.994 -1.751 1.00 0.00 C ATOM 0 H1 ALA A 1 12.239 -9.807 -0.728 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.427 -10.074 -2.395 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.666 -9.322 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 1 11.260 -7.927 -1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.615 -6.031 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.479 -6.991 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.892 -7.166 -2.458 1.00 0.00 H new ATOM 11 N LEU A 2 10.647 -6.998 -3.549 1.00 0.00 N ATOM 12 CA LEU A 2 9.917 -6.682 -4.776 1.00 0.00 C ATOM 13 C LEU A 2 9.038 -7.805 -5.356 1.00 0.00 C ATOM 14 O LEU A 2 8.802 -7.837 -6.568 1.00 0.00 O ATOM 15 CB LEU A 2 10.870 -6.075 -5.832 1.00 0.00 C ATOM 16 CG LEU A 2 11.579 -4.777 -5.411 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.314 -4.172 -6.608 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.578 -3.766 -4.840 1.00 0.00 C ATOM 0 H LEU A 2 10.554 -6.248 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 2 9.181 -5.935 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.627 -6.818 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.301 -5.880 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 2 12.301 -5.018 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.814 -3.253 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.054 -4.882 -6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.599 -3.949 -7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.105 -2.857 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.831 -3.527 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.086 -4.195 -3.967 1.00 0.00 H new ATOM 30 N THR A 3 8.541 -8.710 -4.519 1.00 0.00 N ATOM 31 CA THR A 3 7.680 -9.805 -4.942 1.00 0.00 C ATOM 32 C THR A 3 6.218 -9.325 -4.944 1.00 0.00 C ATOM 33 O THR A 3 5.838 -8.464 -4.140 1.00 0.00 O ATOM 34 CB THR A 3 7.900 -10.962 -3.951 1.00 0.00 C ATOM 35 OG1 THR A 3 9.213 -11.466 -4.085 1.00 0.00 O ATOM 36 CG2 THR A 3 6.915 -12.117 -4.095 1.00 0.00 C ATOM 0 H THR A 3 8.728 -8.702 -3.516 1.00 0.00 H new ATOM 0 HA THR A 3 7.913 -10.143 -5.952 1.00 0.00 H new ATOM 0 HB THR A 3 7.733 -10.532 -2.963 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.348 -12.201 -3.451 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.145 -12.886 -3.357 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.901 -11.752 -3.934 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.994 -12.540 -5.097 1.00 0.00 H new ATOM 44 N THR A 4 5.409 -9.822 -5.884 1.00 0.00 N ATOM 45 CA THR A 4 3.980 -9.495 -5.964 1.00 0.00 C ATOM 46 C THR A 4 3.272 -10.495 -5.042 1.00 0.00 C ATOM 47 O THR A 4 3.814 -11.587 -4.820 1.00 0.00 O ATOM 48 CB THR A 4 3.416 -9.523 -7.395 1.00 0.00 C ATOM 49 OG1 THR A 4 3.824 -10.671 -8.107 1.00 0.00 O ATOM 50 CG2 THR A 4 3.863 -8.306 -8.205 1.00 0.00 C ATOM 0 H THR A 4 5.725 -10.463 -6.612 1.00 0.00 H new ATOM 0 HA THR A 4 3.813 -8.465 -5.648 1.00 0.00 H new ATOM 0 HB THR A 4 2.333 -9.524 -7.276 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.442 -10.649 -9.009 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.444 -8.363 -9.209 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.513 -7.396 -7.717 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.951 -8.290 -8.267 1.00 0.00 H new ATOM 58 N ILE A 5 2.074 -10.200 -4.528 1.00 0.00 N ATOM 59 CA ILE A 5 1.429 -11.144 -3.611 1.00 0.00 C ATOM 60 C ILE A 5 -0.100 -11.172 -3.724 1.00 0.00 C ATOM 61 O ILE A 5 -0.752 -10.129 -3.765 1.00 0.00 O ATOM 62 CB ILE A 5 1.967 -10.865 -2.184 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.215 -11.657 -1.101 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.046 -9.357 -1.864 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.070 -11.807 0.157 1.00 0.00 C ATOM 0 H ILE A 5 1.547 -9.348 -4.721 1.00 0.00 H new ATOM 0 HA ILE A 5 1.695 -12.163 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 5 2.993 -11.234 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.283 -11.148 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.949 -12.642 -1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.429 -9.219 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.713 -8.869 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.052 -8.917 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.516 -12.371 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.990 -12.337 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.314 -10.820 0.551 1.00 0.00 H new ATOM 77 N SER A 6 -0.671 -12.385 -3.718 1.00 0.00 N ATOM 78 CA SER A 6 -2.110 -12.621 -3.804 1.00 0.00 C ATOM 79 C SER A 6 -2.846 -11.858 -2.697 1.00 0.00 C ATOM 80 O SER A 6 -2.348 -11.792 -1.569 1.00 0.00 O ATOM 81 CB SER A 6 -2.429 -14.111 -3.660 1.00 0.00 C ATOM 82 OG SER A 6 -1.762 -14.890 -4.628 1.00 0.00 O ATOM 0 H SER A 6 -0.128 -13.246 -3.651 1.00 0.00 H new ATOM 0 HA SER A 6 -2.441 -12.270 -4.781 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.143 -14.448 -2.664 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.505 -14.262 -3.751 1.00 0.00 H new ATOM 0 HG SER A 6 -1.990 -15.835 -4.502 1.00 0.00 H new ATOM 88 N PRO A 7 -4.079 -11.383 -2.944 1.00 0.00 N ATOM 89 CA PRO A 7 -4.827 -10.621 -1.953 1.00 0.00 C ATOM 90 C PRO A 7 -5.227 -11.439 -0.729 1.00 0.00 C ATOM 91 O PRO A 7 -5.453 -10.867 0.332 1.00 0.00 O ATOM 92 CB PRO A 7 -6.025 -10.038 -2.688 1.00 0.00 C ATOM 93 CG PRO A 7 -6.224 -11.004 -3.855 1.00 0.00 C ATOM 94 CD PRO A 7 -4.797 -11.411 -4.208 1.00 0.00 C ATOM 0 HA PRO A 7 -4.202 -9.833 -1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.906 -9.993 -2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.830 -9.023 -3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.830 -11.864 -3.569 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.727 -10.525 -4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.769 -12.404 -4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.356 -10.722 -4.929 1.00 0.00 H new ATOM 102 N HIS A 8 -5.291 -12.759 -0.872 1.00 0.00 N ATOM 103 CA HIS A 8 -5.641 -13.707 0.170 1.00 0.00 C ATOM 104 C HIS A 8 -4.573 -13.722 1.266 1.00 0.00 C ATOM 105 O HIS A 8 -4.887 -13.607 2.449 1.00 0.00 O ATOM 106 CB HIS A 8 -5.794 -15.082 -0.489 1.00 0.00 C ATOM 107 CG HIS A 8 -5.845 -16.221 0.493 1.00 0.00 C ATOM 108 ND1 HIS A 8 -4.877 -17.183 0.692 1.00 0.00 N ATOM 109 CD2 HIS A 8 -6.840 -16.437 1.400 1.00 0.00 C ATOM 110 CE1 HIS A 8 -5.297 -17.977 1.694 1.00 0.00 C ATOM 111 NE2 HIS A 8 -6.496 -17.569 2.142 1.00 0.00 N ATOM 0 H HIS A 8 -5.090 -13.215 -1.762 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.577 -13.424 0.652 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.705 -15.089 -1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.961 -15.241 -1.174 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.732 -15.841 1.522 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.748 -18.822 2.083 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.049 -18.003 2.882 1.00 0.00 H new ATOM 119 N ASP A 9 -3.312 -13.896 0.867 1.00 0.00 N ATOM 120 CA ASP A 9 -2.161 -13.929 1.773 1.00 0.00 C ATOM 121 C ASP A 9 -1.907 -12.522 2.284 1.00 0.00 C ATOM 122 O ASP A 9 -1.581 -12.302 3.449 1.00 0.00 O ATOM 123 CB ASP A 9 -0.914 -14.437 1.032 1.00 0.00 C ATOM 124 CG ASP A 9 -0.769 -15.945 1.183 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.640 -16.681 0.669 1.00 0.00 O ATOM 126 OD2 ASP A 9 0.228 -16.418 1.785 1.00 0.00 O ATOM 0 H ASP A 9 -3.057 -14.020 -0.113 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.371 -14.602 2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.983 -14.178 -0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.026 -13.941 1.424 1.00 0.00 H new ATOM 131 N ALA A 10 -2.099 -11.546 1.403 1.00 0.00 N ATOM 132 CA ALA A 10 -1.910 -10.161 1.730 1.00 0.00 C ATOM 133 C ALA A 10 -2.893 -9.664 2.765 1.00 0.00 C ATOM 134 O ALA A 10 -2.483 -8.883 3.621 1.00 0.00 O ATOM 135 CB ALA A 10 -1.970 -9.354 0.442 1.00 0.00 C ATOM 0 H ALA A 10 -2.392 -11.708 0.439 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.932 -10.035 2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.829 -8.297 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.183 -9.689 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.941 -9.497 -0.032 1.00 0.00 H new ATOM 141 N GLN A 11 -4.148 -10.089 2.730 1.00 0.00 N ATOM 142 CA GLN A 11 -5.108 -9.653 3.724 1.00 0.00 C ATOM 143 C GLN A 11 -4.682 -10.166 5.109 1.00 0.00 C ATOM 144 O GLN A 11 -5.082 -9.611 6.129 1.00 0.00 O ATOM 145 CB GLN A 11 -6.472 -10.209 3.298 1.00 0.00 C ATOM 146 CG GLN A 11 -7.573 -9.895 4.308 1.00 0.00 C ATOM 147 CD GLN A 11 -7.866 -11.040 5.272 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.141 -12.165 4.851 1.00 0.00 O ATOM 149 NE2 GLN A 11 -7.821 -10.795 6.568 1.00 0.00 N ATOM 0 H GLN A 11 -4.519 -10.730 2.029 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.163 -8.567 3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.744 -9.792 2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.397 -11.289 3.171 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.287 -9.013 4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.486 -9.642 3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.592 -9.859 6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.015 -11.542 7.235 1.00 0.00 H new ATOM 158 N GLU A 12 -3.877 -11.227 5.146 1.00 0.00 N ATOM 159 CA GLU A 12 -3.426 -11.841 6.359 1.00 0.00 C ATOM 160 C GLU A 12 -2.206 -11.134 6.927 1.00 0.00 C ATOM 161 O GLU A 12 -2.279 -10.684 8.065 1.00 0.00 O ATOM 162 CB GLU A 12 -3.190 -13.339 6.117 1.00 0.00 C ATOM 163 CG GLU A 12 -2.784 -13.943 7.449 1.00 0.00 C ATOM 164 CD GLU A 12 -2.671 -15.464 7.426 1.00 0.00 C ATOM 165 OE1 GLU A 12 -3.731 -16.129 7.416 1.00 0.00 O ATOM 166 OE2 GLU A 12 -1.524 -15.971 7.456 1.00 0.00 O ATOM 0 H GLU A 12 -3.521 -11.682 4.305 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.200 -11.742 7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.093 -13.816 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.411 -13.491 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.826 -13.521 7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.513 -13.653 8.206 1.00 0.00 H new ATOM 173 N LEU A 13 -1.095 -11.023 6.181 1.00 0.00 N ATOM 174 CA LEU A 13 0.131 -10.380 6.686 1.00 0.00 C ATOM 175 C LEU A 13 -0.195 -9.009 7.268 1.00 0.00 C ATOM 176 O LEU A 13 0.267 -8.650 8.352 1.00 0.00 O ATOM 177 CB LEU A 13 1.252 -10.385 5.641 1.00 0.00 C ATOM 178 CG LEU A 13 0.964 -9.523 4.405 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.453 -8.093 4.610 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.608 -10.102 3.150 1.00 0.00 C ATOM 0 H LEU A 13 -1.020 -11.370 5.225 1.00 0.00 H new ATOM 0 HA LEU A 13 0.534 -10.969 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.171 -10.033 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.430 -11.412 5.321 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.117 -9.518 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.237 -7.503 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.944 -7.654 5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.528 -8.098 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.381 -9.463 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.688 -10.155 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.216 -11.103 2.968 1.00 0.00 H new ATOM 192 N ILE A 14 -1.089 -8.285 6.598 1.00 0.00 N ATOM 193 CA ILE A 14 -1.548 -6.992 7.050 1.00 0.00 C ATOM 194 C ILE A 14 -2.176 -7.116 8.446 1.00 0.00 C ATOM 195 O ILE A 14 -1.771 -6.404 9.361 1.00 0.00 O ATOM 196 CB ILE A 14 -2.523 -6.444 5.985 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.749 -5.351 5.246 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.939 -6.086 6.478 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.477 -4.973 3.969 1.00 0.00 C ATOM 0 H ILE A 14 -1.513 -8.589 5.721 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.725 -6.285 7.156 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.813 -7.229 5.287 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.640 -4.475 5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.744 -5.701 5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.531 -5.713 5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.415 -6.974 6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.873 -5.317 7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.919 -4.194 3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.562 -5.849 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.473 -4.604 4.214 1.00 0.00 H new ATOM 211 N ALA A 15 -3.146 -8.012 8.653 1.00 0.00 N ATOM 212 CA ALA A 15 -3.790 -8.168 9.949 1.00 0.00 C ATOM 213 C ALA A 15 -2.775 -8.597 11.011 1.00 0.00 C ATOM 214 O ALA A 15 -2.969 -8.327 12.198 1.00 0.00 O ATOM 215 CB ALA A 15 -4.932 -9.185 9.837 1.00 0.00 C ATOM 0 H ALA A 15 -3.500 -8.641 7.932 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.204 -7.208 10.258 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.413 -9.300 10.808 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.663 -8.832 9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.533 -10.146 9.513 1.00 0.00 H new ATOM 221 N ARG A 16 -1.701 -9.274 10.600 1.00 0.00 N ATOM 222 CA ARG A 16 -0.652 -9.754 11.497 1.00 0.00 C ATOM 223 C ARG A 16 0.134 -8.558 12.018 1.00 0.00 C ATOM 224 O ARG A 16 0.245 -8.383 13.232 1.00 0.00 O ATOM 225 CB ARG A 16 0.251 -10.782 10.805 1.00 0.00 C ATOM 226 CG ARG A 16 -0.549 -11.982 10.284 1.00 0.00 C ATOM 227 CD ARG A 16 -0.591 -13.125 11.306 1.00 0.00 C ATOM 228 NE ARG A 16 -1.544 -14.181 10.932 1.00 0.00 N ATOM 229 CZ ARG A 16 -2.878 -14.084 10.957 1.00 0.00 C ATOM 230 NH1 ARG A 16 -3.486 -12.941 11.267 1.00 0.00 N ATOM 231 NH2 ARG A 16 -3.604 -15.148 10.670 1.00 0.00 N ATOM 0 H ARG A 16 -1.535 -9.507 9.621 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.105 -10.272 12.342 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.775 -10.306 9.976 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.011 -11.128 11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.566 -11.667 10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.104 -12.340 9.356 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.405 -13.557 11.404 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.862 -12.725 12.283 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.151 -15.071 10.625 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.933 -12.114 11.492 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.505 -12.892 11.279 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.147 -16.029 10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.622 -15.090 10.685 1.00 0.00 H new ATOM 245 N GLY A 17 0.648 -7.718 11.120 1.00 0.00 N ATOM 246 CA GLY A 17 1.400 -6.546 11.530 1.00 0.00 C ATOM 247 C GLY A 17 2.158 -5.824 10.436 1.00 0.00 C ATOM 248 O GLY A 17 2.539 -4.669 10.649 1.00 0.00 O ATOM 0 H GLY A 17 0.555 -7.831 10.111 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.710 -5.840 11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.111 -6.847 12.299 1.00 0.00 H new ATOM 252 N ALA A 18 2.386 -6.453 9.280 1.00 0.00 N ATOM 253 CA ALA A 18 3.099 -5.786 8.202 1.00 0.00 C ATOM 254 C ALA A 18 2.310 -4.546 7.786 1.00 0.00 C ATOM 255 O ALA A 18 1.083 -4.474 7.950 1.00 0.00 O ATOM 256 CB ALA A 18 3.245 -6.739 7.034 1.00 0.00 C ATOM 0 H ALA A 18 2.091 -7.407 9.074 1.00 0.00 H new ATOM 0 HA ALA A 18 4.093 -5.485 8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.779 -6.242 6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.804 -7.620 7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.257 -7.042 6.686 1.00 0.00 H new ATOM 262 N LYS A 19 3.011 -3.550 7.256 1.00 0.00 N ATOM 263 CA LYS A 19 2.401 -2.294 6.837 1.00 0.00 C ATOM 264 C LYS A 19 2.282 -2.203 5.325 1.00 0.00 C ATOM 265 O LYS A 19 2.867 -2.982 4.583 1.00 0.00 O ATOM 266 CB LYS A 19 3.267 -1.134 7.369 1.00 0.00 C ATOM 267 CG LYS A 19 3.330 -1.022 8.903 1.00 0.00 C ATOM 268 CD LYS A 19 1.982 -0.656 9.536 1.00 0.00 C ATOM 269 CE LYS A 19 1.210 -1.880 10.007 1.00 0.00 C ATOM 270 NZ LYS A 19 -0.190 -1.547 10.341 1.00 0.00 N ATOM 0 H LYS A 19 4.019 -3.591 7.105 1.00 0.00 H new ATOM 0 HA LYS A 19 1.391 -2.239 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.281 -1.252 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.881 -0.198 6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.673 -1.970 9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.069 -0.269 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.150 0.011 10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.381 -0.107 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.227 -2.643 9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.701 -2.306 10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.685 -2.405 10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.206 -0.837 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.666 -1.164 9.499 1.00 0.00 H new ATOM 284 N LEU A 20 1.512 -1.224 4.876 1.00 0.00 N ATOM 285 CA LEU A 20 1.270 -0.874 3.494 1.00 0.00 C ATOM 286 C LEU A 20 1.380 0.656 3.501 1.00 0.00 C ATOM 287 O LEU A 20 1.096 1.284 4.527 1.00 0.00 O ATOM 288 CB LEU A 20 -0.084 -1.427 3.024 1.00 0.00 C ATOM 289 CG LEU A 20 -0.468 -0.940 1.617 1.00 0.00 C ATOM 290 CD1 LEU A 20 0.527 -1.315 0.533 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.832 -1.481 1.212 1.00 0.00 C ATOM 0 H LEU A 20 1.006 -0.613 5.517 1.00 0.00 H new ATOM 0 HA LEU A 20 1.971 -1.306 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.049 -2.516 3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.858 -1.129 3.731 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.479 0.147 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.180 -0.933 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.499 -0.881 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.617 -2.400 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.083 -1.124 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.806 -2.571 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.585 -1.136 1.921 1.00 0.00 H new ATOM 303 N ILE A 21 1.784 1.276 2.396 1.00 0.00 N ATOM 304 CA ILE A 21 1.951 2.721 2.304 1.00 0.00 C ATOM 305 C ILE A 21 1.201 3.212 1.084 1.00 0.00 C ATOM 306 O ILE A 21 1.334 2.657 -0.011 1.00 0.00 O ATOM 307 CB ILE A 21 3.454 3.067 2.217 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.369 2.300 3.197 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.684 4.579 2.365 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.220 2.663 4.680 1.00 0.00 C ATOM 0 H ILE A 21 2.007 0.783 1.531 1.00 0.00 H new ATOM 0 HA ILE A 21 1.549 3.212 3.190 1.00 0.00 H new ATOM 0 HB ILE A 21 3.746 2.734 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.176 1.233 3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.405 2.470 2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.751 4.793 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.159 5.107 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.306 4.912 3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.910 2.063 5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.446 3.720 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.198 2.464 5.002 1.00 0.00 H new ATOM 322 N ASP A 22 0.409 4.262 1.281 1.00 0.00 N ATOM 323 CA ASP A 22 -0.385 4.875 0.236 1.00 0.00 C ATOM 324 C ASP A 22 0.488 5.823 -0.572 1.00 0.00 C ATOM 325 O ASP A 22 0.341 7.045 -0.514 1.00 0.00 O ATOM 326 CB ASP A 22 -1.629 5.557 0.823 1.00 0.00 C ATOM 327 CG ASP A 22 -2.791 4.599 1.058 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.532 4.812 2.039 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.970 3.659 0.252 1.00 0.00 O ATOM 0 H ASP A 22 0.303 4.714 2.189 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.756 4.109 -0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.362 6.031 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.952 6.350 0.148 1.00 0.00 H new ATOM 334 N ILE A 23 1.386 5.249 -1.375 1.00 0.00 N ATOM 335 CA ILE A 23 2.305 5.958 -2.266 1.00 0.00 C ATOM 336 C ILE A 23 1.524 6.357 -3.537 1.00 0.00 C ATOM 337 O ILE A 23 1.992 6.210 -4.665 1.00 0.00 O ATOM 338 CB ILE A 23 3.544 5.085 -2.556 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.179 3.695 -3.117 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.394 4.920 -1.288 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.324 3.107 -3.937 1.00 0.00 C ATOM 0 H ILE A 23 1.497 4.236 -1.424 1.00 0.00 H new ATOM 0 HA ILE A 23 2.686 6.869 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 23 4.117 5.607 -3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.935 3.022 -2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.287 3.775 -3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.264 4.302 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.724 5.899 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.798 4.442 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.034 2.128 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.550 3.769 -4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.207 3.004 -3.307 1.00 0.00 H new ATOM 353 N ARG A 24 0.294 6.836 -3.350 1.00 0.00 N ATOM 354 CA ARG A 24 -0.676 7.237 -4.359 1.00 0.00 C ATOM 355 C ARG A 24 -1.055 8.696 -4.165 1.00 0.00 C ATOM 356 O ARG A 24 -0.361 9.561 -4.702 1.00 0.00 O ATOM 357 CB ARG A 24 -1.882 6.255 -4.361 1.00 0.00 C ATOM 358 CG ARG A 24 -2.077 5.465 -3.047 1.00 0.00 C ATOM 359 CD ARG A 24 -3.473 4.867 -2.849 1.00 0.00 C ATOM 360 NE ARG A 24 -4.305 5.765 -2.033 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.440 5.429 -1.408 1.00 0.00 C ATOM 362 NH1 ARG A 24 -5.983 4.230 -1.575 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.040 6.319 -0.631 1.00 0.00 N ATOM 0 H ARG A 24 -0.077 6.962 -2.408 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.240 7.172 -5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.791 6.819 -4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.754 5.546 -5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.345 4.658 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.860 6.126 -2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.946 4.703 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.393 3.894 -2.364 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.989 6.730 -1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.535 3.548 -2.187 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.848 3.990 -1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.636 7.249 -0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.905 6.075 -0.150 1.00 0.00 H new ATOM 377 N ASP A 25 -2.129 8.994 -3.435 1.00 0.00 N ATOM 378 CA ASP A 25 -2.586 10.359 -3.214 1.00 0.00 C ATOM 379 C ASP A 25 -3.524 10.409 -2.008 1.00 0.00 C ATOM 380 O ASP A 25 -4.067 9.375 -1.595 1.00 0.00 O ATOM 381 CB ASP A 25 -3.355 10.827 -4.464 1.00 0.00 C ATOM 382 CG ASP A 25 -3.346 12.346 -4.638 1.00 0.00 C ATOM 383 OD1 ASP A 25 -2.932 12.817 -5.719 1.00 0.00 O ATOM 384 OD2 ASP A 25 -3.701 13.088 -3.696 1.00 0.00 O ATOM 0 H ASP A 25 -2.708 8.289 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.728 11.004 -3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.917 10.363 -5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.386 10.480 -4.400 1.00 0.00 H new ATOM 389 N ALA A 26 -3.656 11.608 -1.443 1.00 0.00 N ATOM 390 CA ALA A 26 -4.494 11.981 -0.315 1.00 0.00 C ATOM 391 C ALA A 26 -5.923 12.212 -0.796 1.00 0.00 C ATOM 392 O ALA A 26 -6.867 12.072 -0.021 1.00 0.00 O ATOM 393 CB ALA A 26 -3.978 13.298 0.278 1.00 0.00 C ATOM 0 H ALA A 26 -3.132 12.409 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.469 11.185 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.601 13.585 1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.949 13.168 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.016 14.079 -0.482 1.00 0.00 H new ATOM 399 N ASP A 27 -6.091 12.584 -2.066 1.00 0.00 N ATOM 400 CA ASP A 27 -7.400 12.834 -2.650 1.00 0.00 C ATOM 401 C ASP A 27 -8.207 11.542 -2.724 1.00 0.00 C ATOM 402 O ASP A 27 -9.413 11.557 -2.500 1.00 0.00 O ATOM 403 CB ASP A 27 -7.245 13.483 -4.023 1.00 0.00 C ATOM 404 CG ASP A 27 -8.518 14.242 -4.369 1.00 0.00 C ATOM 405 OD1 ASP A 27 -9.180 13.898 -5.372 1.00 0.00 O ATOM 406 OD2 ASP A 27 -8.803 15.245 -3.667 1.00 0.00 O ATOM 0 H ASP A 27 -5.317 12.719 -2.717 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.950 13.526 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.392 14.162 -4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.046 12.722 -4.777 1.00 0.00 H new ATOM 411 N GLU A 28 -7.530 10.421 -2.987 1.00 0.00 N ATOM 412 CA GLU A 28 -8.142 9.099 -3.062 1.00 0.00 C ATOM 413 C GLU A 28 -8.587 8.677 -1.662 1.00 0.00 C ATOM 414 O GLU A 28 -9.694 8.175 -1.497 1.00 0.00 O ATOM 415 CB GLU A 28 -7.120 8.077 -3.582 1.00 0.00 C ATOM 416 CG GLU A 28 -6.669 8.312 -5.024 1.00 0.00 C ATOM 417 CD GLU A 28 -7.808 8.365 -6.051 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.756 9.235 -6.951 1.00 0.00 O ATOM 419 OE2 GLU A 28 -8.748 7.535 -5.965 1.00 0.00 O ATOM 0 H GLU A 28 -6.524 10.410 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.996 9.137 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.244 8.095 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.552 7.079 -3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.114 9.249 -5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.978 7.518 -5.308 1.00 0.00 H new ATOM 426 N TYR A 29 -7.709 8.910 -0.673 1.00 0.00 N ATOM 427 CA TYR A 29 -7.849 8.621 0.764 1.00 0.00 C ATOM 428 C TYR A 29 -9.052 9.364 1.393 1.00 0.00 C ATOM 429 O TYR A 29 -9.298 9.257 2.592 1.00 0.00 O ATOM 430 CB TYR A 29 -6.516 8.994 1.448 1.00 0.00 C ATOM 431 CG TYR A 29 -6.258 8.371 2.810 1.00 0.00 C ATOM 432 CD1 TYR A 29 -5.620 7.120 2.913 1.00 0.00 C ATOM 433 CD2 TYR A 29 -6.601 9.066 3.985 1.00 0.00 C ATOM 434 CE1 TYR A 29 -5.348 6.565 4.174 1.00 0.00 C ATOM 435 CE2 TYR A 29 -6.349 8.509 5.251 1.00 0.00 C ATOM 436 CZ TYR A 29 -5.730 7.246 5.345 1.00 0.00 C ATOM 437 OH TYR A 29 -5.488 6.676 6.554 1.00 0.00 O ATOM 0 H TYR A 29 -6.807 9.342 -0.875 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.058 7.561 0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.700 8.711 0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.479 10.078 1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.339 6.585 2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.064 10.039 3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.844 5.612 4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.628 9.045 6.146 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.808 7.269 7.265 1.00 0.00 H new ATOM 447 N LEU A 30 -9.763 10.184 0.616 1.00 0.00 N ATOM 448 CA LEU A 30 -10.920 10.952 1.010 1.00 0.00 C ATOM 449 C LEU A 30 -12.177 10.086 0.870 1.00 0.00 C ATOM 450 O LEU A 30 -12.841 9.780 1.866 1.00 0.00 O ATOM 451 CB LEU A 30 -10.951 12.209 0.121 1.00 0.00 C ATOM 452 CG LEU A 30 -11.785 13.350 0.697 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.533 14.628 -0.111 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.286 13.056 0.694 1.00 0.00 C ATOM 0 H LEU A 30 -9.521 10.330 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.877 11.263 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.930 12.559 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.347 11.940 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.475 13.471 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.129 15.442 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.476 14.889 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.815 14.462 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.824 13.905 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.621 12.886 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.484 12.167 1.293 1.00 0.00 H new ATOM 466 N ARG A 31 -12.532 9.712 -0.366 1.00 0.00 N ATOM 467 CA ARG A 31 -13.713 8.903 -0.681 1.00 0.00 C ATOM 468 C ARG A 31 -13.515 7.423 -0.427 1.00 0.00 C ATOM 469 O ARG A 31 -14.497 6.716 -0.202 1.00 0.00 O ATOM 470 CB ARG A 31 -14.072 9.077 -2.170 1.00 0.00 C ATOM 471 CG ARG A 31 -14.896 10.344 -2.402 1.00 0.00 C ATOM 472 CD ARG A 31 -16.387 10.111 -2.112 1.00 0.00 C ATOM 473 NE ARG A 31 -17.112 11.376 -1.921 1.00 0.00 N ATOM 474 CZ ARG A 31 -17.358 12.307 -2.850 1.00 0.00 C ATOM 475 NH1 ARG A 31 -17.045 12.099 -4.126 1.00 0.00 N ATOM 476 NH2 ARG A 31 -17.914 13.451 -2.484 1.00 0.00 N ATOM 0 H ARG A 31 -11.993 9.970 -1.192 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.507 9.255 -0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.159 9.122 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.633 8.208 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.521 11.144 -1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.773 10.675 -3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.835 9.557 -2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.491 9.494 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.464 11.563 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.611 11.220 -4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.239 12.819 -4.822 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.149 13.614 -1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.107 14.170 -3.181 1.00 0.00 H new ATOM 490 N GLU A 32 -12.286 6.934 -0.467 1.00 0.00 N ATOM 491 CA GLU A 32 -11.967 5.534 -0.270 1.00 0.00 C ATOM 492 C GLU A 32 -10.658 5.435 0.491 1.00 0.00 C ATOM 493 O GLU A 32 -10.039 6.451 0.781 1.00 0.00 O ATOM 494 CB GLU A 32 -11.779 4.885 -1.647 1.00 0.00 C ATOM 495 CG GLU A 32 -12.978 4.996 -2.602 1.00 0.00 C ATOM 496 CD GLU A 32 -12.720 4.294 -3.935 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.446 3.320 -4.238 1.00 0.00 O ATOM 498 OE2 GLU A 32 -11.794 4.693 -4.684 1.00 0.00 O ATOM 0 H GLU A 32 -11.466 7.515 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.763 5.037 0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.912 5.338 -2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.548 3.829 -1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.859 4.562 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.200 6.048 -2.784 1.00 0.00 H new ATOM 505 N HIS A 33 -10.233 4.223 0.846 1.00 0.00 N ATOM 506 CA HIS A 33 -8.970 4.053 1.546 1.00 0.00 C ATOM 507 C HIS A 33 -8.294 2.832 0.935 1.00 0.00 C ATOM 508 O HIS A 33 -8.127 2.807 -0.290 1.00 0.00 O ATOM 509 CB HIS A 33 -9.139 4.022 3.069 1.00 0.00 C ATOM 510 CG HIS A 33 -9.577 5.315 3.706 1.00 0.00 C ATOM 511 ND1 HIS A 33 -8.767 6.164 4.423 1.00 0.00 N ATOM 512 CD2 HIS A 33 -10.842 5.836 3.728 1.00 0.00 C ATOM 513 CE1 HIS A 33 -9.537 7.160 4.887 1.00 0.00 C ATOM 514 NE2 HIS A 33 -10.814 7.002 4.495 1.00 0.00 N ATOM 0 H HIS A 33 -10.740 3.358 0.661 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.316 4.914 1.410 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.867 3.251 3.319 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.191 3.722 3.515 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.764 6.056 4.574 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.709 5.419 3.238 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.179 7.979 5.494 1.00 0.00 H new ATOM 522 N ILE A 34 -7.911 1.845 1.749 1.00 0.00 N ATOM 523 CA ILE A 34 -7.232 0.619 1.344 1.00 0.00 C ATOM 524 C ILE A 34 -6.997 -0.306 2.557 1.00 0.00 C ATOM 525 O ILE A 34 -7.032 0.183 3.692 1.00 0.00 O ATOM 526 CB ILE A 34 -5.845 1.044 0.740 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.731 0.686 -0.757 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.633 0.627 1.591 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.456 -0.030 -1.208 1.00 0.00 C ATOM 0 H ILE A 34 -8.075 1.884 2.755 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.839 0.074 0.621 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.815 2.133 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.582 0.058 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.823 1.607 -1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.716 0.958 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.706 1.085 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.617 -0.458 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.506 -0.222 -2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.591 0.597 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.362 -0.976 -0.674 1.00 0.00 H new ATOM 541 N PRO A 35 -6.631 -1.582 2.326 1.00 0.00 N ATOM 542 CA PRO A 35 -6.299 -2.552 3.354 1.00 0.00 C ATOM 543 C PRO A 35 -5.040 -2.114 4.136 1.00 0.00 C ATOM 544 O PRO A 35 -3.910 -2.233 3.679 1.00 0.00 O ATOM 545 CB PRO A 35 -6.146 -3.904 2.630 1.00 0.00 C ATOM 546 CG PRO A 35 -5.918 -3.567 1.157 1.00 0.00 C ATOM 547 CD PRO A 35 -6.600 -2.216 1.016 1.00 0.00 C ATOM 0 HA PRO A 35 -7.075 -2.636 4.115 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.308 -4.471 3.035 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.038 -4.518 2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.857 -3.513 0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.359 -4.314 0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.061 -1.591 0.304 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.612 -2.340 0.630 1.00 0.00 H new ATOM 555 N GLU A 36 -5.270 -1.581 5.331 1.00 0.00 N ATOM 556 CA GLU A 36 -4.353 -1.132 6.387 1.00 0.00 C ATOM 557 C GLU A 36 -3.231 -0.100 6.144 1.00 0.00 C ATOM 558 O GLU A 36 -2.386 0.075 7.030 1.00 0.00 O ATOM 559 CB GLU A 36 -3.759 -2.418 6.999 1.00 0.00 C ATOM 560 CG GLU A 36 -3.923 -2.477 8.521 1.00 0.00 C ATOM 561 CD GLU A 36 -5.314 -2.928 8.989 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.305 -2.847 8.225 1.00 0.00 O ATOM 563 OE2 GLU A 36 -5.399 -3.349 10.165 1.00 0.00 O ATOM 0 H GLU A 36 -6.235 -1.431 5.626 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.993 -0.514 7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.243 -3.286 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.700 -2.479 6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.176 -3.158 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.715 -1.491 8.936 1.00 0.00 H new ATOM 570 N ALA A 37 -3.179 0.595 5.008 1.00 0.00 N ATOM 571 CA ALA A 37 -2.117 1.573 4.749 1.00 0.00 C ATOM 572 C ALA A 37 -2.247 2.886 5.548 1.00 0.00 C ATOM 573 O ALA A 37 -3.137 3.052 6.388 1.00 0.00 O ATOM 574 CB ALA A 37 -2.091 1.898 3.260 1.00 0.00 C ATOM 0 H ALA A 37 -3.857 0.501 4.252 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.189 1.107 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.304 2.625 3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.898 0.988 2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.053 2.314 2.962 1.00 0.00 H new ATOM 580 N ASP A 38 -1.336 3.828 5.290 1.00 0.00 N ATOM 581 CA ASP A 38 -1.265 5.171 5.865 1.00 0.00 C ATOM 582 C ASP A 38 -0.854 6.102 4.730 1.00 0.00 C ATOM 583 O ASP A 38 -0.050 5.719 3.869 1.00 0.00 O ATOM 584 CB ASP A 38 -0.260 5.307 7.013 1.00 0.00 C ATOM 585 CG ASP A 38 -0.242 6.739 7.583 1.00 0.00 C ATOM 586 OD1 ASP A 38 -1.343 7.294 7.798 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.834 7.326 7.844 1.00 0.00 O ATOM 0 H ASP A 38 -0.578 3.660 4.629 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.237 5.413 6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.514 4.602 7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.736 5.043 6.659 1.00 0.00 H new ATOM 592 N LEU A 39 -1.413 7.309 4.736 1.00 0.00 N ATOM 593 CA LEU A 39 -1.192 8.350 3.753 1.00 0.00 C ATOM 594 C LEU A 39 0.228 8.918 3.787 1.00 0.00 C ATOM 595 O LEU A 39 0.585 9.667 4.703 1.00 0.00 O ATOM 596 CB LEU A 39 -2.246 9.449 3.946 1.00 0.00 C ATOM 597 CG LEU A 39 -2.059 10.636 2.983 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.148 10.196 1.515 1.00 0.00 C ATOM 599 CD2 LEU A 39 -3.118 11.690 3.301 1.00 0.00 C ATOM 0 H LEU A 39 -2.065 7.596 5.466 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.299 7.908 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.239 9.023 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.202 9.811 4.973 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.063 11.056 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.011 11.062 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.370 9.461 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.126 9.753 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.000 12.539 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.111 11.259 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.000 12.025 4.331 1.00 0.00 H new ATOM 611 N ALA A 40 1.018 8.575 2.770 1.00 0.00 N ATOM 612 CA ALA A 40 2.389 9.013 2.554 1.00 0.00 C ATOM 613 C ALA A 40 2.660 8.833 1.049 1.00 0.00 C ATOM 614 O ALA A 40 3.242 7.819 0.657 1.00 0.00 O ATOM 615 CB ALA A 40 3.362 8.230 3.447 1.00 0.00 C ATOM 0 H ALA A 40 0.695 7.947 2.034 1.00 0.00 H new ATOM 0 HA ALA A 40 2.538 10.056 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.380 8.576 3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.104 8.390 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.294 7.167 3.215 1.00 0.00 H new ATOM 621 N PRO A 41 2.210 9.769 0.188 1.00 0.00 N ATOM 622 CA PRO A 41 2.407 9.678 -1.254 1.00 0.00 C ATOM 623 C PRO A 41 3.894 9.770 -1.641 1.00 0.00 C ATOM 624 O PRO A 41 4.756 10.098 -0.818 1.00 0.00 O ATOM 625 CB PRO A 41 1.527 10.776 -1.859 1.00 0.00 C ATOM 626 CG PRO A 41 1.443 11.823 -0.757 1.00 0.00 C ATOM 627 CD PRO A 41 1.503 10.996 0.526 1.00 0.00 C ATOM 0 HA PRO A 41 2.110 8.707 -1.650 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.967 11.186 -2.768 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.541 10.396 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.267 12.534 -0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.520 12.399 -0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.023 11.540 1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.501 10.778 0.896 1.00 0.00 H new ATOM 635 N LEU A 42 4.200 9.499 -2.918 1.00 0.00 N ATOM 636 CA LEU A 42 5.561 9.528 -3.463 1.00 0.00 C ATOM 637 C LEU A 42 6.257 10.855 -3.148 1.00 0.00 C ATOM 638 O LEU A 42 7.438 10.861 -2.805 1.00 0.00 O ATOM 639 CB LEU A 42 5.534 9.208 -4.968 1.00 0.00 C ATOM 640 CG LEU A 42 6.940 9.145 -5.606 1.00 0.00 C ATOM 641 CD1 LEU A 42 7.010 8.028 -6.654 1.00 0.00 C ATOM 642 CD2 LEU A 42 7.317 10.465 -6.299 1.00 0.00 C ATOM 0 H LEU A 42 3.495 9.249 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 42 6.156 8.754 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.031 8.253 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.943 9.965 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 42 7.639 8.952 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.008 8.001 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.795 7.070 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.276 8.218 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.313 10.376 -6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.595 10.682 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.311 11.274 -5.569 1.00 0.00 H new ATOM 654 N SER A 43 5.526 11.970 -3.202 1.00 0.00 N ATOM 655 CA SER A 43 6.044 13.298 -2.905 1.00 0.00 C ATOM 656 C SER A 43 6.629 13.407 -1.490 1.00 0.00 C ATOM 657 O SER A 43 7.461 14.284 -1.275 1.00 0.00 O ATOM 658 CB SER A 43 4.934 14.333 -3.111 1.00 0.00 C ATOM 659 OG SER A 43 4.853 14.711 -4.469 1.00 0.00 O ATOM 0 H SER A 43 4.539 11.970 -3.459 1.00 0.00 H new ATOM 0 HA SER A 43 6.868 13.493 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.979 13.920 -2.785 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.129 15.211 -2.495 1.00 0.00 H new ATOM 0 HG SER A 43 4.138 15.371 -4.583 1.00 0.00 H new ATOM 665 N VAL A 44 6.254 12.546 -0.540 1.00 0.00 N ATOM 666 CA VAL A 44 6.776 12.568 0.825 1.00 0.00 C ATOM 667 C VAL A 44 7.909 11.542 0.936 1.00 0.00 C ATOM 668 O VAL A 44 8.935 11.805 1.568 1.00 0.00 O ATOM 669 CB VAL A 44 5.661 12.283 1.852 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.125 12.696 3.249 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.370 13.054 1.577 1.00 0.00 C ATOM 0 H VAL A 44 5.571 11.806 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 44 7.165 13.561 1.049 1.00 0.00 H new ATOM 0 HB VAL A 44 5.459 11.215 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.334 12.492 3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.016 12.129 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.357 13.761 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.629 12.806 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.573 14.125 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.986 12.782 0.594 1.00 0.00 H new ATOM 681 N LEU A 45 7.745 10.370 0.314 1.00 0.00 N ATOM 682 CA LEU A 45 8.733 9.291 0.321 1.00 0.00 C ATOM 683 C LEU A 45 10.047 9.788 -0.279 1.00 0.00 C ATOM 684 O LEU A 45 11.109 9.527 0.272 1.00 0.00 O ATOM 685 CB LEU A 45 8.210 8.086 -0.487 1.00 0.00 C ATOM 686 CG LEU A 45 7.182 7.147 0.192 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.819 5.827 0.640 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.458 7.721 1.418 1.00 0.00 C ATOM 0 H LEU A 45 6.905 10.142 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 45 8.905 8.977 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.759 8.468 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.069 7.483 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 45 6.446 7.003 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.062 5.199 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.232 5.310 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.616 6.032 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.764 6.978 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.189 7.977 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.907 8.616 1.129 1.00 0.00 H new ATOM 700 N GLU A 46 9.978 10.541 -1.373 1.00 0.00 N ATOM 701 CA GLU A 46 11.109 11.090 -2.085 1.00 0.00 C ATOM 702 C GLU A 46 11.630 12.366 -1.437 1.00 0.00 C ATOM 703 O GLU A 46 12.689 12.855 -1.832 1.00 0.00 O ATOM 704 CB GLU A 46 10.643 11.392 -3.510 1.00 0.00 C ATOM 705 CG GLU A 46 10.471 10.147 -4.387 1.00 0.00 C ATOM 706 CD GLU A 46 11.773 9.401 -4.702 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.859 9.805 -4.234 1.00 0.00 O ATOM 708 OE2 GLU A 46 11.693 8.387 -5.432 1.00 0.00 O ATOM 0 H GLU A 46 9.087 10.792 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 46 11.928 10.370 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.694 11.926 -3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.363 12.060 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.786 9.460 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.001 10.442 -5.325 1.00 0.00 H new ATOM 715 N GLN A 47 10.864 12.996 -0.545 1.00 0.00 N ATOM 716 CA GLN A 47 11.316 14.197 0.144 1.00 0.00 C ATOM 717 C GLN A 47 12.143 13.766 1.355 1.00 0.00 C ATOM 718 O GLN A 47 12.962 14.557 1.828 1.00 0.00 O ATOM 719 CB GLN A 47 10.125 15.058 0.581 1.00 0.00 C ATOM 720 CG GLN A 47 9.722 16.070 -0.502 1.00 0.00 C ATOM 721 CD GLN A 47 10.602 17.313 -0.542 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.897 17.904 0.493 1.00 0.00 O ATOM 723 NE2 GLN A 47 11.010 17.775 -1.710 1.00 0.00 N ATOM 0 H GLN A 47 9.926 12.690 -0.285 1.00 0.00 H new ATOM 0 HA GLN A 47 11.923 14.803 -0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.276 14.414 0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.378 15.589 1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.758 15.580 -1.475 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.688 16.373 -0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.763 17.282 -2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.572 18.625 -1.754 1.00 0.00 H new ATOM 732 N SER A 48 11.946 12.535 1.843 1.00 0.00 N ATOM 733 CA SER A 48 12.674 12.022 2.988 1.00 0.00 C ATOM 734 C SER A 48 12.919 10.527 2.817 1.00 0.00 C ATOM 735 O SER A 48 13.964 10.140 2.297 1.00 0.00 O ATOM 736 CB SER A 48 11.929 12.388 4.281 1.00 0.00 C ATOM 737 OG SER A 48 12.656 11.910 5.393 1.00 0.00 O ATOM 0 H SER A 48 11.276 11.875 1.449 1.00 0.00 H new ATOM 0 HA SER A 48 13.658 12.485 3.059 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.807 13.469 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.929 11.954 4.273 1.00 0.00 H new ATOM 0 HG SER A 48 12.183 12.144 6.219 1.00 0.00 H new ATOM 743 N GLY A 49 11.962 9.704 3.239 1.00 0.00 N ATOM 744 CA GLY A 49 12.008 8.261 3.187 1.00 0.00 C ATOM 745 C GLY A 49 10.874 7.700 4.036 1.00 0.00 C ATOM 746 O GLY A 49 10.083 8.463 4.604 1.00 0.00 O ATOM 0 H GLY A 49 11.094 10.052 3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.913 7.918 2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.969 7.901 3.556 1.00 0.00 H new ATOM 750 N LEU A 50 10.790 6.375 4.139 1.00 0.00 N ATOM 751 CA LEU A 50 9.774 5.647 4.900 1.00 0.00 C ATOM 752 C LEU A 50 9.738 6.135 6.365 1.00 0.00 C ATOM 753 O LEU A 50 10.766 6.077 7.048 1.00 0.00 O ATOM 754 CB LEU A 50 10.086 4.148 4.771 1.00 0.00 C ATOM 755 CG LEU A 50 8.931 3.186 5.078 1.00 0.00 C ATOM 756 CD1 LEU A 50 8.396 3.241 6.504 1.00 0.00 C ATOM 757 CD2 LEU A 50 7.760 3.380 4.109 1.00 0.00 C ATOM 0 H LEU A 50 11.454 5.754 3.677 1.00 0.00 H new ATOM 0 HA LEU A 50 8.775 5.832 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.431 3.956 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.915 3.912 5.438 1.00 0.00 H new ATOM 0 HG LEU A 50 9.382 2.202 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.583 2.523 6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.196 2.995 7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.026 4.244 6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.962 2.681 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.387 4.401 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.098 3.196 3.089 1.00 0.00 H new ATOM 769 N PRO A 51 8.613 6.670 6.876 1.00 0.00 N ATOM 770 CA PRO A 51 8.548 7.167 8.247 1.00 0.00 C ATOM 771 C PRO A 51 8.559 6.074 9.318 1.00 0.00 C ATOM 772 O PRO A 51 7.990 4.996 9.144 1.00 0.00 O ATOM 773 CB PRO A 51 7.244 7.951 8.343 1.00 0.00 C ATOM 774 CG PRO A 51 6.356 7.326 7.272 1.00 0.00 C ATOM 775 CD PRO A 51 7.326 6.825 6.209 1.00 0.00 C ATOM 0 HA PRO A 51 9.438 7.765 8.442 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.797 7.862 9.333 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.403 9.014 8.159 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.759 6.510 7.679 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.659 8.056 6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.988 5.878 5.789 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.398 7.532 5.383 1.00 0.00 H new ATOM 783 N ALA A 52 9.103 6.423 10.490 1.00 0.00 N ATOM 784 CA ALA A 52 9.215 5.553 11.661 1.00 0.00 C ATOM 785 C ALA A 52 7.863 4.937 12.041 1.00 0.00 C ATOM 786 O ALA A 52 7.799 3.774 12.428 1.00 0.00 O ATOM 787 CB ALA A 52 9.808 6.344 12.829 1.00 0.00 C ATOM 0 H ALA A 52 9.490 7.353 10.652 1.00 0.00 H new ATOM 0 HA ALA A 52 9.880 4.725 11.415 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.892 5.696 13.702 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.796 6.712 12.554 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.159 7.187 13.064 1.00 0.00 H new ATOM 793 N LYS A 53 6.766 5.682 11.882 1.00 0.00 N ATOM 794 CA LYS A 53 5.423 5.201 12.199 1.00 0.00 C ATOM 795 C LYS A 53 5.063 3.880 11.511 1.00 0.00 C ATOM 796 O LYS A 53 4.269 3.131 12.087 1.00 0.00 O ATOM 797 CB LYS A 53 4.397 6.293 11.934 1.00 0.00 C ATOM 798 CG LYS A 53 4.213 6.523 10.435 1.00 0.00 C ATOM 799 CD LYS A 53 3.662 7.899 10.139 1.00 0.00 C ATOM 800 CE LYS A 53 2.242 7.997 10.690 1.00 0.00 C ATOM 801 NZ LYS A 53 1.477 9.011 9.971 1.00 0.00 N ATOM 0 H LYS A 53 6.787 6.639 11.529 1.00 0.00 H new ATOM 0 HA LYS A 53 5.411 4.967 13.264 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.443 6.016 12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.716 7.220 12.411 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.170 6.399 9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.539 5.768 10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.295 8.663 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.662 8.081 9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.746 7.031 10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.275 8.244 11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.682 9.330 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.093 9.820 9.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.110 8.606 9.086 1.00 0.00 H new ATOM 815 N LEU A 54 5.614 3.582 10.321 1.00 0.00 N ATOM 816 CA LEU A 54 5.336 2.335 9.607 1.00 0.00 C ATOM 817 C LEU A 54 6.657 1.677 9.201 1.00 0.00 C ATOM 818 O LEU A 54 6.690 0.908 8.245 1.00 0.00 O ATOM 819 CB LEU A 54 4.548 2.661 8.313 1.00 0.00 C ATOM 820 CG LEU A 54 3.238 3.452 8.508 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.213 4.677 7.594 1.00 0.00 C ATOM 822 CD2 LEU A 54 1.984 2.617 8.289 1.00 0.00 C ATOM 0 H LEU A 54 6.262 4.200 9.833 1.00 0.00 H new ATOM 0 HA LEU A 54 4.763 1.669 10.252 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.198 3.229 7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.313 1.725 7.807 1.00 0.00 H new ATOM 0 HG LEU A 54 3.227 3.765 9.552 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.282 5.224 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.057 5.325 7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.282 4.357 6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.102 3.238 8.443 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.980 2.227 7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.971 1.787 8.996 1.00 0.00 H new ATOM 834 N ARG A 55 7.696 1.792 10.032 1.00 0.00 N ATOM 835 CA ARG A 55 9.023 1.213 9.771 1.00 0.00 C ATOM 836 C ARG A 55 9.122 -0.293 10.016 1.00 0.00 C ATOM 837 O ARG A 55 10.243 -0.802 10.027 1.00 0.00 O ATOM 838 CB ARG A 55 10.082 1.956 10.597 1.00 0.00 C ATOM 839 CG ARG A 55 9.938 1.707 12.113 1.00 0.00 C ATOM 840 CD ARG A 55 11.039 0.815 12.690 1.00 0.00 C ATOM 841 NE ARG A 55 10.901 0.620 14.140 1.00 0.00 N ATOM 842 CZ ARG A 55 11.736 -0.129 14.868 1.00 0.00 C ATOM 843 NH1 ARG A 55 12.740 -0.797 14.307 1.00 0.00 N ATOM 844 NH2 ARG A 55 11.573 -0.213 16.180 1.00 0.00 N ATOM 0 H ARG A 55 7.642 2.296 10.917 1.00 0.00 H new ATOM 0 HA ARG A 55 9.202 1.344 8.704 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.075 1.642 10.274 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.006 3.025 10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.947 2.665 12.633 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.969 1.247 12.308 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.015 -0.154 12.192 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.011 1.259 12.477 1.00 0.00 H new ATOM 0 HE ARG A 55 10.126 1.081 14.617 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.887 -0.745 13.299 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.363 -1.361 14.885 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.812 0.293 16.633 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.209 -0.784 16.737 1.00 0.00 H new ATOM 858 N HIS A 56 8.000 -0.970 10.263 1.00 0.00 N ATOM 859 CA HIS A 56 7.880 -2.403 10.526 1.00 0.00 C ATOM 860 C HIS A 56 8.842 -3.235 9.677 1.00 0.00 C ATOM 861 O HIS A 56 9.208 -2.879 8.559 1.00 0.00 O ATOM 862 CB HIS A 56 6.429 -2.873 10.298 1.00 0.00 C ATOM 863 CG HIS A 56 5.727 -3.381 11.536 1.00 0.00 C ATOM 864 ND1 HIS A 56 4.994 -2.615 12.412 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.648 -4.682 11.962 1.00 0.00 C ATOM 866 CE1 HIS A 56 4.487 -3.430 13.351 1.00 0.00 C ATOM 867 NE2 HIS A 56 4.875 -4.701 13.134 1.00 0.00 N ATOM 0 H HIS A 56 7.094 -0.502 10.286 1.00 0.00 H new ATOM 0 HA HIS A 56 8.152 -2.558 11.570 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.854 -2.044 9.885 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.431 -3.664 9.548 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.099 -5.538 11.482 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.856 -3.110 14.167 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.652 -5.515 13.707 1.00 0.00 H new ATOM 875 N GLU A 57 9.178 -4.407 10.211 1.00 0.00 N ATOM 876 CA GLU A 57 10.083 -5.386 9.621 1.00 0.00 C ATOM 877 C GLU A 57 9.696 -5.799 8.193 1.00 0.00 C ATOM 878 O GLU A 57 10.548 -6.288 7.446 1.00 0.00 O ATOM 879 CB GLU A 57 10.085 -6.584 10.573 1.00 0.00 C ATOM 880 CG GLU A 57 11.139 -7.638 10.243 1.00 0.00 C ATOM 881 CD GLU A 57 11.095 -8.723 11.309 1.00 0.00 C ATOM 882 OE1 GLU A 57 10.213 -9.609 11.207 1.00 0.00 O ATOM 883 OE2 GLU A 57 11.915 -8.642 12.254 1.00 0.00 O ATOM 0 H GLU A 57 8.808 -4.713 11.111 1.00 0.00 H new ATOM 0 HA GLU A 57 11.077 -4.952 9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.249 -6.227 11.590 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.100 -7.051 10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.949 -8.067 9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.129 -7.184 10.207 1.00 0.00 H new ATOM 890 N GLN A 58 8.422 -5.622 7.835 1.00 0.00 N ATOM 891 CA GLN A 58 7.829 -5.920 6.550 1.00 0.00 C ATOM 892 C GLN A 58 6.791 -4.850 6.248 1.00 0.00 C ATOM 893 O GLN A 58 5.952 -4.501 7.088 1.00 0.00 O ATOM 894 CB GLN A 58 7.210 -7.330 6.569 1.00 0.00 C ATOM 895 CG GLN A 58 8.227 -8.320 5.989 1.00 0.00 C ATOM 896 CD GLN A 58 7.878 -9.796 6.124 1.00 0.00 C ATOM 897 OE1 GLN A 58 8.087 -10.568 5.190 1.00 0.00 O ATOM 898 NE2 GLN A 58 7.446 -10.256 7.288 1.00 0.00 N ATOM 0 H GLN A 58 7.739 -5.239 8.488 1.00 0.00 H new ATOM 0 HA GLN A 58 8.584 -5.913 5.764 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.946 -7.613 7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.290 -7.347 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.360 -8.094 4.931 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.188 -8.149 6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.274 -9.611 8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.285 -11.255 7.413 1.00 0.00 H new ATOM 907 N ILE A 59 6.887 -4.314 5.039 1.00 0.00 N ATOM 908 CA ILE A 59 6.030 -3.303 4.485 1.00 0.00 C ATOM 909 C ILE A 59 5.685 -3.760 3.057 1.00 0.00 C ATOM 910 O ILE A 59 6.241 -4.724 2.525 1.00 0.00 O ATOM 911 CB ILE A 59 6.608 -1.864 4.585 1.00 0.00 C ATOM 912 CG1 ILE A 59 7.525 -1.451 3.418 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.312 -1.471 5.906 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.305 -0.011 2.991 1.00 0.00 C ATOM 0 H ILE A 59 7.616 -4.600 4.386 1.00 0.00 H new ATOM 0 HA ILE A 59 5.116 -3.211 5.072 1.00 0.00 H new ATOM 0 HB ILE A 59 5.672 -1.307 4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.566 -1.585 3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.347 -2.110 2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.666 -0.442 5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.608 -1.558 6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.159 -2.135 6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.975 0.230 2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.272 0.119 2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.510 0.653 3.831 1.00 0.00 H new ATOM 926 N ILE A 60 4.776 -3.050 2.409 1.00 0.00 N ATOM 927 CA ILE A 60 4.275 -3.290 1.064 1.00 0.00 C ATOM 928 C ILE A 60 4.023 -1.906 0.455 1.00 0.00 C ATOM 929 O ILE A 60 3.893 -0.905 1.169 1.00 0.00 O ATOM 930 CB ILE A 60 3.003 -4.198 1.120 1.00 0.00 C ATOM 931 CG1 ILE A 60 3.322 -5.519 1.875 1.00 0.00 C ATOM 932 CG2 ILE A 60 2.426 -4.503 -0.283 1.00 0.00 C ATOM 933 CD1 ILE A 60 2.362 -6.691 1.673 1.00 0.00 C ATOM 0 H ILE A 60 4.338 -2.235 2.838 1.00 0.00 H new ATOM 0 HA ILE A 60 4.981 -3.833 0.436 1.00 0.00 H new ATOM 0 HB ILE A 60 2.236 -3.645 1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.319 -5.845 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.363 -5.297 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.545 -5.137 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.149 -3.570 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.178 -5.018 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.704 -7.546 2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.363 -6.404 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.334 -6.960 0.617 1.00 0.00 H new ATOM 945 N PHE A 61 3.918 -1.858 -0.868 1.00 0.00 N ATOM 946 CA PHE A 61 3.672 -0.683 -1.680 1.00 0.00 C ATOM 947 C PHE A 61 2.564 -0.957 -2.695 1.00 0.00 C ATOM 948 O PHE A 61 2.629 -1.961 -3.405 1.00 0.00 O ATOM 949 CB PHE A 61 4.989 -0.351 -2.388 1.00 0.00 C ATOM 950 CG PHE A 61 5.943 0.466 -1.540 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.506 1.595 -0.822 1.00 0.00 C ATOM 952 CD2 PHE A 61 7.289 0.088 -1.468 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.408 2.323 -0.030 1.00 0.00 C ATOM 954 CE2 PHE A 61 8.186 0.808 -0.668 1.00 0.00 C ATOM 955 CZ PHE A 61 7.755 1.939 0.042 1.00 0.00 C ATOM 0 H PHE A 61 4.010 -2.700 -1.436 1.00 0.00 H new ATOM 0 HA PHE A 61 3.342 0.155 -1.066 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.479 -1.280 -2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.771 0.196 -3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.472 1.903 -0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.638 -0.764 -2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.063 3.182 0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.216 0.490 -0.597 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.453 2.508 0.638 1.00 0.00 H new ATOM 965 N HIS A 62 1.566 -0.069 -2.774 1.00 0.00 N ATOM 966 CA HIS A 62 0.424 -0.138 -3.685 1.00 0.00 C ATOM 967 C HIS A 62 0.079 1.300 -4.089 1.00 0.00 C ATOM 968 O HIS A 62 0.231 2.202 -3.261 1.00 0.00 O ATOM 969 CB HIS A 62 -0.756 -0.858 -2.995 1.00 0.00 C ATOM 970 CG HIS A 62 -1.686 -1.614 -3.907 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.347 -2.166 -5.113 1.00 0.00 N ATOM 972 CD2 HIS A 62 -2.921 -2.099 -3.577 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.350 -2.978 -5.486 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.360 -2.937 -4.610 1.00 0.00 N ATOM 0 H HIS A 62 1.534 0.756 -2.175 1.00 0.00 H new ATOM 0 HA HIS A 62 0.655 -0.715 -4.581 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.352 -1.555 -2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.338 -0.118 -2.446 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.466 -1.874 -2.672 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.342 -3.586 -6.379 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -4.259 -3.414 -4.679 1.00 0.00 H new ATOM 982 N CYS A 63 -0.364 1.522 -5.337 1.00 0.00 N ATOM 983 CA CYS A 63 -0.708 2.855 -5.831 1.00 0.00 C ATOM 984 C CYS A 63 -2.198 2.965 -6.197 1.00 0.00 C ATOM 985 O CYS A 63 -3.038 2.938 -5.306 1.00 0.00 O ATOM 986 CB CYS A 63 0.237 3.266 -6.978 1.00 0.00 C ATOM 987 SG CYS A 63 1.973 3.330 -6.475 1.00 0.00 S ATOM 0 H CYS A 63 -0.492 0.781 -6.026 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.557 3.573 -5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.129 2.560 -7.801 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.062 4.244 -7.355 1.00 0.00 H new ATOM 0 HG CYS A 63 2.192 4.425 -5.810 1.00 0.00 H new ATOM 993 N GLN A 64 -2.546 3.133 -7.479 1.00 0.00 N ATOM 994 CA GLN A 64 -3.914 3.226 -8.009 1.00 0.00 C ATOM 995 C GLN A 64 -4.092 2.186 -9.135 1.00 0.00 C ATOM 996 O GLN A 64 -3.163 1.434 -9.445 1.00 0.00 O ATOM 997 CB GLN A 64 -4.219 4.655 -8.487 1.00 0.00 C ATOM 998 CG GLN A 64 -4.254 5.655 -7.324 1.00 0.00 C ATOM 999 CD GLN A 64 -4.731 7.036 -7.763 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -5.640 7.169 -8.578 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -4.126 8.088 -7.243 1.00 0.00 N ATOM 0 H GLN A 64 -1.844 3.212 -8.215 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.631 3.003 -7.219 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.463 4.965 -9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.178 4.667 -9.005 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.913 5.277 -6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.258 5.738 -6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.373 7.961 -6.567 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.412 9.028 -7.517 1.00 0.00 H new ATOM 1010 N ALA A 65 -5.250 2.145 -9.793 1.00 0.00 N ATOM 1011 CA ALA A 65 -5.584 1.213 -10.869 1.00 0.00 C ATOM 1012 C ALA A 65 -4.913 1.706 -12.160 1.00 0.00 C ATOM 1013 O ALA A 65 -5.560 2.132 -13.118 1.00 0.00 O ATOM 1014 CB ALA A 65 -7.112 1.178 -11.027 1.00 0.00 C ATOM 0 H ALA A 65 -6.013 2.788 -9.582 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.230 0.207 -10.646 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.379 0.487 -11.826 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.567 0.847 -10.094 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.475 2.176 -11.273 1.00 0.00 H new ATOM 1020 N GLY A 66 -3.586 1.685 -12.166 1.00 0.00 N ATOM 1021 CA GLY A 66 -2.724 2.107 -13.261 1.00 0.00 C ATOM 1022 C GLY A 66 -1.255 1.840 -12.942 1.00 0.00 C ATOM 1023 O GLY A 66 -0.453 2.768 -13.003 1.00 0.00 O ATOM 0 H GLY A 66 -3.053 1.354 -11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.003 1.577 -14.172 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.870 3.170 -13.453 1.00 0.00 H new ATOM 1027 N LYS A 67 -0.900 0.597 -12.587 1.00 0.00 N ATOM 1028 CA LYS A 67 0.449 0.125 -12.225 1.00 0.00 C ATOM 1029 C LYS A 67 1.278 1.142 -11.438 1.00 0.00 C ATOM 1030 O LYS A 67 1.016 1.299 -10.247 1.00 0.00 O ATOM 1031 CB LYS A 67 1.207 -0.395 -13.467 1.00 0.00 C ATOM 1032 CG LYS A 67 0.680 -1.729 -13.996 1.00 0.00 C ATOM 1033 CD LYS A 67 1.050 -2.929 -13.109 1.00 0.00 C ATOM 1034 CE LYS A 67 2.519 -3.346 -13.219 1.00 0.00 C ATOM 1035 NZ LYS A 67 2.751 -4.203 -14.394 1.00 0.00 N ATOM 0 H LYS A 67 -1.588 -0.154 -12.541 1.00 0.00 H new ATOM 0 HA LYS A 67 0.298 -0.708 -11.538 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.142 0.351 -14.259 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.262 -0.505 -13.218 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.405 -1.673 -14.084 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.073 -1.894 -14.999 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.828 -2.684 -12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.420 -3.777 -13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.146 -2.457 -13.286 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.816 -3.878 -12.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.756 -4.467 -14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.170 -5.062 -14.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.491 -3.686 -15.258 1.00 0.00 H new ATOM 1049 N ARG A 68 2.223 1.863 -12.059 1.00 0.00 N ATOM 1050 CA ARG A 68 3.129 2.859 -11.463 1.00 0.00 C ATOM 1051 C ARG A 68 4.087 2.287 -10.408 1.00 0.00 C ATOM 1052 O ARG A 68 5.154 2.864 -10.220 1.00 0.00 O ATOM 1053 CB ARG A 68 2.364 4.085 -10.919 1.00 0.00 C ATOM 1054 CG ARG A 68 1.784 4.975 -12.033 1.00 0.00 C ATOM 1055 CD ARG A 68 0.429 5.596 -11.690 1.00 0.00 C ATOM 1056 NE ARG A 68 0.482 6.544 -10.563 1.00 0.00 N ATOM 1057 CZ ARG A 68 -0.586 7.214 -10.111 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -1.783 6.977 -10.635 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -0.469 8.111 -9.142 1.00 0.00 N ATOM 0 H ARG A 68 2.387 1.759 -13.060 1.00 0.00 H new ATOM 0 HA ARG A 68 3.761 3.190 -12.287 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.553 3.744 -10.275 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.035 4.679 -10.299 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.493 5.773 -12.252 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.681 4.382 -12.941 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.042 6.111 -12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.276 4.800 -11.451 1.00 0.00 H new ATOM 0 HE ARG A 68 1.379 6.698 -10.103 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.887 6.287 -11.379 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.599 7.485 -10.294 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.444 8.300 -8.729 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.292 8.613 -8.809 1.00 0.00 H new ATOM 1073 N THR A 69 3.777 1.154 -9.784 1.00 0.00 N ATOM 1074 CA THR A 69 4.525 0.453 -8.765 1.00 0.00 C ATOM 1075 C THR A 69 5.793 -0.139 -9.371 1.00 0.00 C ATOM 1076 O THR A 69 6.886 0.403 -9.195 1.00 0.00 O ATOM 1077 CB THR A 69 3.589 -0.630 -8.179 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.775 -1.210 -9.195 1.00 0.00 O ATOM 1079 CG2 THR A 69 2.672 -0.048 -7.103 1.00 0.00 C ATOM 0 H THR A 69 2.911 0.663 -10.007 1.00 0.00 H new ATOM 0 HA THR A 69 4.847 1.120 -7.965 1.00 0.00 H new ATOM 0 HB THR A 69 4.230 -1.394 -7.739 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.194 -1.892 -8.799 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.027 -0.834 -6.711 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.276 0.363 -6.294 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.059 0.742 -7.536 1.00 0.00 H new ATOM 1087 N SER A 70 5.639 -1.196 -10.171 1.00 0.00 N ATOM 1088 CA SER A 70 6.718 -1.917 -10.830 1.00 0.00 C ATOM 1089 C SER A 70 7.558 -1.057 -11.784 1.00 0.00 C ATOM 1090 O SER A 70 8.570 -1.514 -12.303 1.00 0.00 O ATOM 1091 CB SER A 70 6.135 -3.119 -11.595 1.00 0.00 C ATOM 1092 OG SER A 70 4.980 -3.643 -10.955 1.00 0.00 O ATOM 0 H SER A 70 4.720 -1.585 -10.383 1.00 0.00 H new ATOM 0 HA SER A 70 7.396 -2.243 -10.041 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.881 -2.815 -12.610 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.891 -3.900 -11.676 1.00 0.00 H new ATOM 0 HG SER A 70 4.731 -4.493 -11.375 1.00 0.00 H new ATOM 1098 N ASN A 71 7.122 0.170 -12.068 1.00 0.00 N ATOM 1099 CA ASN A 71 7.799 1.098 -12.973 1.00 0.00 C ATOM 1100 C ASN A 71 9.010 1.782 -12.344 1.00 0.00 C ATOM 1101 O ASN A 71 9.867 2.307 -13.050 1.00 0.00 O ATOM 1102 CB ASN A 71 6.796 2.167 -13.417 1.00 0.00 C ATOM 1103 CG ASN A 71 7.067 2.645 -14.838 1.00 0.00 C ATOM 1104 OD1 ASN A 71 8.040 3.332 -15.127 1.00 0.00 O ATOM 1105 ND2 ASN A 71 6.197 2.281 -15.758 1.00 0.00 N ATOM 0 H ASN A 71 6.268 0.555 -11.665 1.00 0.00 H new ATOM 0 HA ASN A 71 8.169 0.516 -13.817 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.785 1.764 -13.356 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.843 3.015 -12.734 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.328 2.571 -16.727 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.392 1.709 -15.501 1.00 0.00 H new ATOM 1112 N ASN A 72 9.084 1.804 -11.014 1.00 0.00 N ATOM 1113 CA ASN A 72 10.156 2.445 -10.248 1.00 0.00 C ATOM 1114 C ASN A 72 10.298 1.790 -8.871 1.00 0.00 C ATOM 1115 O ASN A 72 10.731 2.417 -7.894 1.00 0.00 O ATOM 1116 CB ASN A 72 9.866 3.951 -10.130 1.00 0.00 C ATOM 1117 CG ASN A 72 8.411 4.246 -9.758 1.00 0.00 C ATOM 1118 OD1 ASN A 72 8.016 4.253 -8.596 1.00 0.00 O ATOM 1119 ND2 ASN A 72 7.567 4.465 -10.751 1.00 0.00 N ATOM 0 H ASN A 72 8.380 1.364 -10.421 1.00 0.00 H new ATOM 0 HA ASN A 72 11.105 2.314 -10.768 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.524 4.385 -9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.100 4.437 -11.077 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.582 4.641 -10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.901 4.458 -11.715 1.00 0.00 H new ATOM 1126 N ALA A 73 9.929 0.510 -8.801 1.00 0.00 N ATOM 1127 CA ALA A 73 9.973 -0.292 -7.593 1.00 0.00 C ATOM 1128 C ALA A 73 11.372 -0.386 -6.985 1.00 0.00 C ATOM 1129 O ALA A 73 11.483 -0.523 -5.770 1.00 0.00 O ATOM 1130 CB ALA A 73 9.422 -1.687 -7.892 1.00 0.00 C ATOM 0 H ALA A 73 9.582 -0.005 -9.610 1.00 0.00 H new ATOM 0 HA ALA A 73 9.353 0.206 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.454 -2.293 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.392 -1.605 -8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.028 -2.159 -8.665 1.00 0.00 H new ATOM 1136 N ASP A 74 12.439 -0.274 -7.781 1.00 0.00 N ATOM 1137 CA ASP A 74 13.799 -0.377 -7.235 1.00 0.00 C ATOM 1138 C ASP A 74 14.081 0.795 -6.291 1.00 0.00 C ATOM 1139 O ASP A 74 14.726 0.623 -5.254 1.00 0.00 O ATOM 1140 CB ASP A 74 14.866 -0.516 -8.331 1.00 0.00 C ATOM 1141 CG ASP A 74 14.650 -1.760 -9.195 1.00 0.00 C ATOM 1142 OD1 ASP A 74 14.658 -2.894 -8.665 1.00 0.00 O ATOM 1143 OD2 ASP A 74 14.399 -1.586 -10.409 1.00 0.00 O ATOM 0 H ASP A 74 12.393 -0.115 -8.787 1.00 0.00 H new ATOM 0 HA ASP A 74 13.857 -1.298 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.851 0.371 -8.964 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.853 -0.563 -7.871 1.00 0.00 H new ATOM 1148 N LYS A 75 13.590 1.998 -6.616 1.00 0.00 N ATOM 1149 CA LYS A 75 13.765 3.179 -5.794 1.00 0.00 C ATOM 1150 C LYS A 75 12.932 2.990 -4.528 1.00 0.00 C ATOM 1151 O LYS A 75 13.407 3.281 -3.437 1.00 0.00 O ATOM 1152 CB LYS A 75 13.351 4.421 -6.610 1.00 0.00 C ATOM 1153 CG LYS A 75 14.317 5.595 -6.439 1.00 0.00 C ATOM 1154 CD LYS A 75 14.246 6.178 -5.031 1.00 0.00 C ATOM 1155 CE LYS A 75 15.149 7.418 -4.968 1.00 0.00 C ATOM 1156 NZ LYS A 75 14.994 8.216 -3.734 1.00 0.00 N ATOM 0 H LYS A 75 13.056 2.169 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 75 14.803 3.327 -5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.295 4.154 -7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.351 4.732 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.335 5.263 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.081 6.371 -7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.219 6.445 -4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.568 5.438 -4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.189 7.102 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.936 8.053 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.785 8.886 -3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.097 8.741 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.991 7.583 -2.909 1.00 0.00 H new ATOM 1170 N LEU A 76 11.704 2.468 -4.663 1.00 0.00 N ATOM 1171 CA LEU A 76 10.805 2.221 -3.536 1.00 0.00 C ATOM 1172 C LEU A 76 11.454 1.242 -2.550 1.00 0.00 C ATOM 1173 O LEU A 76 11.394 1.470 -1.343 1.00 0.00 O ATOM 1174 CB LEU A 76 9.439 1.689 -4.011 1.00 0.00 C ATOM 1175 CG LEU A 76 8.569 2.701 -4.775 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.340 2.005 -5.377 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.089 3.841 -3.867 1.00 0.00 C ATOM 0 H LEU A 76 11.308 2.205 -5.565 1.00 0.00 H new ATOM 0 HA LEU A 76 10.629 3.169 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.608 0.823 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.882 1.339 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 76 9.191 3.120 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.735 2.735 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.665 1.225 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.747 1.559 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.478 4.534 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.497 3.430 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.951 4.370 -3.461 1.00 0.00 H new ATOM 1189 N ALA A 77 12.084 0.169 -3.043 1.00 0.00 N ATOM 1190 CA ALA A 77 12.756 -0.825 -2.206 1.00 0.00 C ATOM 1191 C ALA A 77 13.828 -0.119 -1.381 1.00 0.00 C ATOM 1192 O ALA A 77 13.819 -0.187 -0.153 1.00 0.00 O ATOM 1193 CB ALA A 77 13.389 -1.938 -3.049 1.00 0.00 C ATOM 0 H ALA A 77 12.141 -0.033 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 77 12.019 -1.292 -1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.879 -2.658 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.614 -2.442 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.125 -1.507 -3.728 1.00 0.00 H new ATOM 1199 N ALA A 78 14.721 0.599 -2.068 1.00 0.00 N ATOM 1200 CA ALA A 78 15.814 1.351 -1.467 1.00 0.00 C ATOM 1201 C ALA A 78 15.336 2.433 -0.488 1.00 0.00 C ATOM 1202 O ALA A 78 16.147 2.938 0.286 1.00 0.00 O ATOM 1203 CB ALA A 78 16.634 1.992 -2.592 1.00 0.00 C ATOM 0 H ALA A 78 14.699 0.672 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 78 16.418 0.656 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.459 2.561 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.031 1.213 -3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.997 2.659 -3.172 1.00 0.00 H new ATOM 1209 N ILE A 79 14.051 2.789 -0.513 1.00 0.00 N ATOM 1210 CA ILE A 79 13.440 3.797 0.334 1.00 0.00 C ATOM 1211 C ILE A 79 12.874 3.219 1.634 1.00 0.00 C ATOM 1212 O ILE A 79 12.771 3.974 2.605 1.00 0.00 O ATOM 1213 CB ILE A 79 12.374 4.546 -0.512 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.044 5.784 -1.127 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.074 4.910 0.220 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.138 6.557 -2.091 1.00 0.00 C ATOM 0 H ILE A 79 13.384 2.360 -1.155 1.00 0.00 H new ATOM 0 HA ILE A 79 14.200 4.503 0.668 1.00 0.00 H new ATOM 0 HB ILE A 79 12.033 3.852 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.361 6.451 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.944 5.474 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.404 5.429 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.592 4.001 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.302 5.559 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.678 7.418 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.842 5.906 -2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.249 6.898 -1.560 1.00 0.00 H new ATOM 1228 N ALA A 80 12.530 1.929 1.682 1.00 0.00 N ATOM 1229 CA ALA A 80 11.953 1.288 2.866 1.00 0.00 C ATOM 1230 C ALA A 80 12.814 0.148 3.434 1.00 0.00 C ATOM 1231 O ALA A 80 12.417 -0.478 4.421 1.00 0.00 O ATOM 1232 CB ALA A 80 10.523 0.924 2.504 1.00 0.00 C ATOM 0 H ALA A 80 12.646 1.294 0.892 1.00 0.00 H new ATOM 0 HA ALA A 80 11.937 1.970 3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.044 0.441 3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.973 1.828 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.525 0.242 1.654 1.00 0.00 H new ATOM 1238 N ALA A 81 13.995 -0.095 2.857 1.00 0.00 N ATOM 1239 CA ALA A 81 14.958 -1.115 3.270 1.00 0.00 C ATOM 1240 C ALA A 81 15.470 -0.831 4.703 1.00 0.00 C ATOM 1241 O ALA A 81 15.320 0.301 5.183 1.00 0.00 O ATOM 1242 CB ALA A 81 16.104 -1.082 2.250 1.00 0.00 C ATOM 0 H ALA A 81 14.319 0.441 2.052 1.00 0.00 H new ATOM 0 HA ALA A 81 14.499 -2.103 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.851 -1.829 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.713 -1.299 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.563 -0.094 2.251 1.00 0.00 H new ATOM 1248 N PRO A 82 16.098 -1.789 5.419 1.00 0.00 N ATOM 1249 CA PRO A 82 16.403 -3.167 5.019 1.00 0.00 C ATOM 1250 C PRO A 82 15.180 -4.084 5.027 1.00 0.00 C ATOM 1251 O PRO A 82 15.250 -5.190 4.496 1.00 0.00 O ATOM 1252 CB PRO A 82 17.428 -3.647 6.048 1.00 0.00 C ATOM 1253 CG PRO A 82 17.023 -2.918 7.320 1.00 0.00 C ATOM 1254 CD PRO A 82 16.609 -1.555 6.769 1.00 0.00 C ATOM 0 HA PRO A 82 16.768 -3.195 3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.391 -4.729 6.176 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.445 -3.396 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.204 -3.418 7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.847 -2.841 8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.846 -1.098 7.399 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.457 -0.871 6.749 1.00 0.00 H new ATOM 1262 N ALA A 83 14.080 -3.619 5.621 1.00 0.00 N ATOM 1263 CA ALA A 83 12.827 -4.337 5.716 1.00 0.00 C ATOM 1264 C ALA A 83 12.368 -4.764 4.308 1.00 0.00 C ATOM 1265 O ALA A 83 12.620 -4.069 3.323 1.00 0.00 O ATOM 1266 CB ALA A 83 11.859 -3.409 6.450 1.00 0.00 C ATOM 0 H ALA A 83 14.045 -2.700 6.061 1.00 0.00 H new ATOM 0 HA ALA A 83 12.901 -5.268 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.891 -3.900 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.255 -3.179 7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.740 -2.486 5.883 1.00 0.00 H new ATOM 1272 N GLU A 84 11.689 -5.903 4.206 1.00 0.00 N ATOM 1273 CA GLU A 84 11.191 -6.511 2.972 1.00 0.00 C ATOM 1274 C GLU A 84 9.999 -5.786 2.354 1.00 0.00 C ATOM 1275 O GLU A 84 9.021 -5.548 3.062 1.00 0.00 O ATOM 1276 CB GLU A 84 10.794 -7.951 3.304 1.00 0.00 C ATOM 1277 CG GLU A 84 11.966 -8.902 3.113 1.00 0.00 C ATOM 1278 CD GLU A 84 12.333 -9.025 1.635 1.00 0.00 C ATOM 1279 OE1 GLU A 84 11.439 -9.323 0.812 1.00 0.00 O ATOM 1280 OE2 GLU A 84 13.498 -8.749 1.267 1.00 0.00 O ATOM 0 H GLU A 84 11.457 -6.460 5.029 1.00 0.00 H new ATOM 0 HA GLU A 84 11.986 -6.454 2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.442 -8.006 4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.965 -8.259 2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.827 -8.543 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.711 -9.884 3.512 1.00 0.00 H new ATOM 1287 N ILE A 85 10.065 -5.458 1.055 1.00 0.00 N ATOM 1288 CA ILE A 85 9.011 -4.757 0.311 1.00 0.00 C ATOM 1289 C ILE A 85 8.325 -5.714 -0.656 1.00 0.00 C ATOM 1290 O ILE A 85 8.989 -6.531 -1.293 1.00 0.00 O ATOM 1291 CB ILE A 85 9.595 -3.509 -0.443 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.629 -2.230 0.408 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.812 -3.115 -1.710 1.00 0.00 C ATOM 1294 CD1 ILE A 85 10.169 -2.518 1.791 1.00 0.00 C ATOM 0 H ILE A 85 10.876 -5.680 0.478 1.00 0.00 H new ATOM 0 HA ILE A 85 8.266 -4.395 1.019 1.00 0.00 H new ATOM 0 HB ILE A 85 10.599 -3.853 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.250 -1.479 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.625 -1.812 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.280 -2.245 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.818 -3.946 -2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.783 -2.874 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.184 -1.598 2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.531 -3.251 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.182 -2.913 1.711 1.00 0.00 H new ATOM 1306 N PHE A 86 7.010 -5.539 -0.816 1.00 0.00 N ATOM 1307 CA PHE A 86 6.165 -6.306 -1.719 1.00 0.00 C ATOM 1308 C PHE A 86 5.242 -5.363 -2.482 1.00 0.00 C ATOM 1309 O PHE A 86 5.163 -4.168 -2.176 1.00 0.00 O ATOM 1310 CB PHE A 86 5.358 -7.395 -0.985 1.00 0.00 C ATOM 1311 CG PHE A 86 6.159 -8.430 -0.222 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.689 -8.139 1.051 1.00 0.00 C ATOM 1313 CD2 PHE A 86 6.348 -9.707 -0.780 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.429 -9.112 1.744 1.00 0.00 C ATOM 1315 CE2 PHE A 86 7.095 -10.675 -0.089 1.00 0.00 C ATOM 1316 CZ PHE A 86 7.645 -10.378 1.170 1.00 0.00 C ATOM 0 H PHE A 86 6.491 -4.831 -0.298 1.00 0.00 H new ATOM 0 HA PHE A 86 6.814 -6.826 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.680 -6.905 -0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.740 -7.914 -1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.526 -7.168 1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.918 -9.944 -1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.833 -8.887 2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.247 -11.651 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.231 -11.118 1.694 1.00 0.00 H new ATOM 1326 N LEU A 87 4.536 -5.919 -3.465 1.00 0.00 N ATOM 1327 CA LEU A 87 3.605 -5.219 -4.331 1.00 0.00 C ATOM 1328 C LEU A 87 2.272 -5.964 -4.319 1.00 0.00 C ATOM 1329 O LEU A 87 2.190 -7.075 -4.839 1.00 0.00 O ATOM 1330 CB LEU A 87 4.171 -5.141 -5.766 1.00 0.00 C ATOM 1331 CG LEU A 87 5.423 -4.262 -5.973 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.832 -4.312 -7.452 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.180 -2.801 -5.575 1.00 0.00 C ATOM 0 H LEU A 87 4.604 -6.913 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 87 3.456 -4.201 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.409 -6.153 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.383 -4.771 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 87 6.213 -4.656 -5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.716 -3.693 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.056 -5.341 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.015 -3.937 -8.068 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.090 -2.223 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.374 -2.388 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.904 -2.752 -4.522 1.00 0.00 H new ATOM 1345 N LEU A 88 1.233 -5.356 -3.744 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.106 -5.945 -3.681 1.00 0.00 C ATOM 1347 C LEU A 88 -0.631 -6.320 -5.074 1.00 0.00 C ATOM 1348 O LEU A 88 -1.347 -7.300 -5.174 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.122 -4.951 -3.072 1.00 0.00 C ATOM 1350 CG LEU A 88 -1.728 -5.312 -1.715 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.651 -4.210 -1.193 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.549 -6.603 -1.750 1.00 0.00 C ATOM 0 H LEU A 88 1.297 -4.437 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.012 -6.837 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.631 -3.983 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.938 -4.825 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.868 -5.443 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.061 -4.506 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.085 -3.285 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.466 -4.053 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.952 -6.805 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.369 -6.493 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.911 -7.432 -2.058 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.341 -5.535 -6.122 1.00 0.00 N ATOM 1365 CA GLU A 89 -0.741 -5.671 -7.538 1.00 0.00 C ATOM 1366 C GLU A 89 -0.533 -4.264 -8.155 1.00 0.00 C ATOM 1367 O GLU A 89 0.544 -3.678 -8.012 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.188 -6.251 -7.695 1.00 0.00 C ATOM 1369 CG GLU A 89 -2.250 -7.765 -7.994 1.00 0.00 C ATOM 1370 CD GLU A 89 -2.013 -8.118 -9.464 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -1.905 -7.203 -10.315 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -1.939 -9.322 -9.792 1.00 0.00 O ATOM 0 H GLU A 89 0.237 -4.705 -5.990 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.137 -6.404 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.745 -6.053 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.694 -5.715 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.506 -8.277 -7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.226 -8.145 -7.692 1.00 0.00 H new ATOM 1379 N ASP A 90 -1.565 -3.665 -8.764 1.00 0.00 N ATOM 1380 CA ASP A 90 -1.547 -2.343 -9.386 1.00 0.00 C ATOM 1381 C ASP A 90 -1.647 -1.246 -8.329 1.00 0.00 C ATOM 1382 O ASP A 90 -0.679 -0.546 -8.035 1.00 0.00 O ATOM 1383 CB ASP A 90 -2.646 -2.218 -10.455 1.00 0.00 C ATOM 1384 CG ASP A 90 -2.222 -2.828 -11.789 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -1.527 -3.864 -11.813 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -2.633 -2.303 -12.845 1.00 0.00 O ATOM 0 H ASP A 90 -2.478 -4.115 -8.837 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.592 -2.216 -9.896 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.552 -2.712 -10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.892 -1.166 -10.600 1.00 0.00 H new ATOM 1391 N GLY A 91 -2.832 -1.096 -7.741 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.087 -0.096 -6.710 1.00 0.00 C ATOM 1393 C GLY A 91 -4.357 -0.325 -5.932 1.00 0.00 C ATOM 1394 O GLY A 91 -4.452 0.061 -4.773 1.00 0.00 O ATOM 0 H GLY A 91 -3.645 -1.668 -7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.246 -0.082 -6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.132 0.888 -7.177 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.336 -0.957 -6.567 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.591 -1.264 -5.917 1.00 0.00 C ATOM 1400 C ILE A 92 -7.198 -2.544 -6.486 1.00 0.00 C ATOM 1401 O ILE A 92 -8.143 -3.071 -5.900 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.518 -0.027 -5.971 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -8.381 0.071 -4.703 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -8.412 -0.015 -7.208 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.601 0.718 -3.561 1.00 0.00 C ATOM 0 H ILE A 92 -5.278 -1.266 -7.537 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.432 -1.478 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.864 0.843 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.277 0.655 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.711 -0.924 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.041 0.875 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.792 -0.007 -8.105 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.042 -0.904 -7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.234 0.776 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.718 0.119 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.294 1.722 -3.853 1.00 0.00 H new ATOM 1417 N ASP A 93 -6.656 -3.061 -7.604 1.00 0.00 N ATOM 1418 CA ASP A 93 -7.214 -4.265 -8.202 1.00 0.00 C ATOM 1419 C ASP A 93 -7.020 -5.490 -7.307 1.00 0.00 C ATOM 1420 O ASP A 93 -7.992 -6.181 -7.028 1.00 0.00 O ATOM 1421 CB ASP A 93 -6.647 -4.454 -9.608 1.00 0.00 C ATOM 1422 CG ASP A 93 -7.077 -5.821 -10.147 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -8.295 -5.989 -10.381 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -6.202 -6.701 -10.318 1.00 0.00 O ATOM 0 H ASP A 93 -5.852 -2.668 -8.094 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.293 -4.146 -8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.004 -3.662 -10.266 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.559 -4.384 -9.586 1.00 0.00 H new ATOM 1429 N GLY A 94 -5.804 -5.716 -6.794 1.00 0.00 N ATOM 1430 CA GLY A 94 -5.471 -6.847 -5.928 1.00 0.00 C ATOM 1431 C GLY A 94 -6.478 -7.012 -4.793 1.00 0.00 C ATOM 1432 O GLY A 94 -7.181 -8.017 -4.740 1.00 0.00 O ATOM 0 H GLY A 94 -5.009 -5.103 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.440 -7.761 -6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.474 -6.703 -5.511 1.00 0.00 H new ATOM 1436 N TRP A 95 -6.575 -6.008 -3.912 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.486 -5.995 -2.767 1.00 0.00 C ATOM 1438 C TRP A 95 -8.903 -6.440 -3.186 1.00 0.00 C ATOM 1439 O TRP A 95 -9.476 -7.415 -2.689 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.582 -4.587 -2.204 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.567 -4.453 -1.082 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.593 -3.581 -1.045 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.633 -5.199 0.174 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.264 -3.732 0.152 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.670 -4.656 0.977 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -7.832 -6.193 0.768 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -9.904 -5.071 2.299 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.044 -6.622 2.091 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.085 -6.069 2.859 1.00 0.00 C ATOM 0 H TRP A 95 -6.007 -5.163 -3.980 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.093 -6.684 -2.019 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.598 -4.279 -1.851 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -7.862 -3.903 -3.005 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.849 -2.879 -1.824 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.108 -3.214 0.397 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.034 -6.638 0.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.702 -4.630 2.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.404 -7.380 2.519 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.254 -6.408 3.870 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.459 -5.688 -4.145 1.00 0.00 N ATOM 1461 CA LYS A 96 -10.791 -5.852 -4.710 1.00 0.00 C ATOM 1462 C LYS A 96 -11.024 -7.218 -5.334 1.00 0.00 C ATOM 1463 O LYS A 96 -12.139 -7.745 -5.268 1.00 0.00 O ATOM 1464 CB LYS A 96 -10.995 -4.736 -5.741 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.468 -4.551 -6.110 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.632 -3.265 -6.924 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.119 -3.024 -7.175 1.00 0.00 C ATOM 1468 NZ LYS A 96 -14.402 -1.633 -7.563 1.00 0.00 N ATOM 0 H LYS A 96 -8.957 -4.906 -4.566 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.521 -5.784 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.602 -3.800 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.423 -4.966 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.820 -5.406 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.077 -4.503 -5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.199 -2.421 -6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.099 -3.348 -7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.466 -3.696 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.682 -3.269 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.423 -1.518 -7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.096 -0.992 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.887 -1.405 -8.437 1.00 0.00 H new ATOM 1482 N LYS A 97 -9.992 -7.834 -5.903 1.00 0.00 N ATOM 1483 CA LYS A 97 -10.092 -9.138 -6.532 1.00 0.00 C ATOM 1484 C LYS A 97 -10.568 -10.195 -5.535 1.00 0.00 C ATOM 1485 O LYS A 97 -11.305 -11.100 -5.926 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.748 -9.466 -7.182 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.873 -10.619 -8.176 1.00 0.00 C ATOM 1488 CD LYS A 97 -7.973 -11.789 -7.798 1.00 0.00 C ATOM 1489 CE LYS A 97 -6.496 -11.433 -8.000 1.00 0.00 C ATOM 1490 NZ LYS A 97 -5.636 -12.624 -7.884 1.00 0.00 N ATOM 0 H LYS A 97 -9.055 -7.434 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.849 -9.129 -7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.365 -8.583 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.023 -9.726 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.909 -10.955 -8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.614 -10.268 -9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.146 -12.064 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.227 -12.659 -8.404 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.360 -10.979 -8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.194 -10.691 -7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.643 -12.350 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.748 -13.043 -6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.909 -13.321 -8.606 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.212 -10.084 -4.250 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.645 -11.027 -3.215 1.00 0.00 C ATOM 1506 C ALA A 98 -12.101 -10.761 -2.778 1.00 0.00 C ATOM 1507 O ALA A 98 -12.607 -11.413 -1.861 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.697 -10.939 -2.014 1.00 0.00 C ATOM 0 H ALA A 98 -9.614 -9.336 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.611 -12.034 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.019 -11.640 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.684 -11.188 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.713 -9.926 -1.612 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.789 -9.806 -3.414 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.160 -9.421 -3.109 1.00 0.00 C ATOM 1516 C GLY A 99 -14.225 -8.570 -1.841 1.00 0.00 C ATOM 1517 O GLY A 99 -15.301 -8.381 -1.269 1.00 0.00 O ATOM 0 H GLY A 99 -12.388 -9.265 -4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.579 -8.863 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.772 -10.314 -2.983 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.078 -8.065 -1.380 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.945 -7.260 -0.188 1.00 0.00 C ATOM 1523 C LEU A 100 -13.101 -5.782 -0.553 1.00 0.00 C ATOM 1524 O LEU A 100 -12.404 -5.305 -1.448 1.00 0.00 O ATOM 1525 CB LEU A 100 -11.559 -7.497 0.435 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.247 -8.954 0.825 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -9.778 -9.091 1.219 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.112 -9.426 1.999 1.00 0.00 C ATOM 0 H LEU A 100 -12.188 -8.218 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.716 -7.537 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.800 -7.158 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.469 -6.874 1.325 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.467 -9.573 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.570 -10.125 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.147 -8.804 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.567 -8.441 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.862 -10.458 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.926 -8.792 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.165 -9.364 1.723 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.053 -5.050 0.040 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.230 -3.628 -0.225 1.00 0.00 C ATOM 1542 C PRO A 101 -13.230 -2.853 0.656 1.00 0.00 C ATOM 1543 O PRO A 101 -12.796 -3.364 1.692 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.676 -3.354 0.185 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.942 -4.352 1.315 1.00 0.00 C ATOM 1546 CD PRO A 101 -14.957 -5.500 1.085 1.00 0.00 C ATOM 0 HA PRO A 101 -14.052 -3.331 -1.258 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.806 -2.326 0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.362 -3.505 -0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.787 -3.891 2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.972 -4.708 1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.411 -5.734 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.480 -6.408 0.784 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.818 -1.633 0.296 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.881 -0.862 1.120 1.00 0.00 C ATOM 1556 C VAL A 102 -12.661 -0.239 2.281 1.00 0.00 C ATOM 1557 O VAL A 102 -13.876 -0.429 2.388 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.210 0.238 0.272 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.328 -0.344 -0.827 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.202 1.221 -0.360 1.00 0.00 C ATOM 0 H VAL A 102 -13.117 -1.160 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.098 -1.514 1.508 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.596 0.791 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.876 0.467 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.543 -0.953 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.933 -0.962 -1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -11.657 1.965 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -12.885 0.679 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.771 1.719 0.425 1.00 0.00 H new ATOM 1570 N ALA A 103 -12.000 0.576 3.109 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.664 1.232 4.222 1.00 0.00 C ATOM 1572 C ALA A 103 -13.447 2.447 3.705 1.00 0.00 C ATOM 1573 O ALA A 103 -13.073 3.596 3.933 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.662 1.619 5.309 1.00 0.00 C ATOM 0 H ALA A 103 -11.007 0.792 3.023 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.369 0.538 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.186 2.108 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.163 0.723 5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.921 2.302 4.894 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.509 2.210 2.938 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.367 3.259 2.400 1.00 0.00 C ATOM 1582 C VAL A 104 -16.315 3.700 3.519 1.00 0.00 C ATOM 1583 O VAL A 104 -16.524 2.979 4.505 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.157 2.794 1.152 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.427 3.151 -0.147 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.470 1.294 1.143 1.00 0.00 C ATOM 0 H VAL A 104 -14.800 1.270 2.670 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.751 4.093 2.065 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.103 3.333 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.013 2.808 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.298 4.232 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.450 2.667 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.025 1.043 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.539 0.728 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.069 1.042 2.018 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.858 4.906 3.384 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.769 5.480 4.357 1.00 0.00 C ATOM 1598 C ASN A 105 -19.131 4.812 4.214 1.00 0.00 C ATOM 1599 O ASN A 105 -19.614 4.596 3.095 1.00 0.00 O ATOM 1600 CB ASN A 105 -17.863 6.993 4.132 1.00 0.00 C ATOM 1601 CG ASN A 105 -18.588 7.720 5.255 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -19.240 7.124 6.104 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -18.438 9.031 5.313 1.00 0.00 N ATOM 0 H ASN A 105 -16.673 5.515 2.587 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.405 5.309 5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.858 7.402 4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.380 7.183 3.191 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -18.868 9.560 6.072 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -17.892 9.514 4.599 1.00 0.00 H new ATOM 1610 N LYS A 106 -19.724 4.392 5.330 1.00 0.00 N ATOM 1611 CA LYS A 106 -21.034 3.768 5.311 1.00 0.00 C ATOM 1612 C LYS A 106 -22.031 4.875 4.976 1.00 0.00 C ATOM 1613 O LYS A 106 -22.089 5.903 5.653 1.00 0.00 O ATOM 1614 CB LYS A 106 -21.338 3.102 6.654 1.00 0.00 C ATOM 1615 CG LYS A 106 -22.668 2.345 6.577 1.00 0.00 C ATOM 1616 CD LYS A 106 -23.064 1.787 7.940 1.00 0.00 C ATOM 1617 CE LYS A 106 -24.458 1.169 7.830 1.00 0.00 C ATOM 1618 NZ LYS A 106 -25.060 1.018 9.162 1.00 0.00 N ATOM 0 H LYS A 106 -19.312 4.476 6.259 1.00 0.00 H new ATOM 0 HA LYS A 106 -21.090 2.972 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -20.534 2.415 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -21.384 3.856 7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -23.449 3.013 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -22.585 1.530 5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -22.343 1.037 8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -23.060 2.579 8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -25.093 1.798 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -24.394 0.197 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -26.006 0.597 9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -24.461 0.399 9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -25.139 1.951 9.615 1.00 0.00 H new ATOM 1632 N SER A 107 -22.775 4.679 3.899 1.00 0.00 N ATOM 1633 CA SER A 107 -23.783 5.592 3.400 1.00 0.00 C ATOM 1634 C SER A 107 -24.647 4.777 2.434 1.00 0.00 C ATOM 1635 O SER A 107 -24.659 3.539 2.504 1.00 0.00 O ATOM 1636 CB SER A 107 -23.091 6.782 2.713 1.00 0.00 C ATOM 1637 OG SER A 107 -23.995 7.862 2.587 1.00 0.00 O ATOM 0 H SER A 107 -22.686 3.840 3.325 1.00 0.00 H new ATOM 0 HA SER A 107 -24.408 6.011 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 107 -22.221 7.091 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.729 6.484 1.729 1.00 0.00 H new ATOM 0 HG SER A 107 -23.546 8.616 2.150 1.00 0.00 H new ATOM 1643 N GLN A 108 -25.415 5.442 1.579 1.00 0.00 N ATOM 1644 CA GLN A 108 -26.278 4.858 0.572 1.00 0.00 C ATOM 1645 C GLN A 108 -26.337 5.858 -0.562 1.00 0.00 C ATOM 1646 O GLN A 108 -26.599 7.048 -0.289 1.00 0.00 O ATOM 1647 CB GLN A 108 -27.678 4.513 1.112 1.00 0.00 C ATOM 1648 CG GLN A 108 -28.292 5.515 2.105 1.00 0.00 C ATOM 1649 CD GLN A 108 -29.805 5.326 2.185 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -30.296 4.389 2.817 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -30.570 6.161 1.505 1.00 0.00 N ATOM 0 H GLN A 108 -25.451 6.461 1.574 1.00 0.00 H new ATOM 0 HA GLN A 108 -25.877 3.902 0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -28.356 4.412 0.265 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -27.627 3.538 1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -27.849 5.377 3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -28.062 6.534 1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -30.149 6.932 0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -31.582 6.035 1.498 1.00 0.00 H new TER 1660 GLN A 108