USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.507 K(o=-0.51,f=-5.7!) USER MOD Single : A 18 MET CE :methyl 178:sc= -0.11 (180deg=-0.127) USER MOD Single : A 19 MET CE :methyl -132:sc= -0.0655 (180deg=-0.898) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0.516 (180deg=0.481) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 160:sc= 1.08 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.95 K(o=2,f=-0.018) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 69:sc= 0.153 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.565 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -46:sc= 0.707 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.874 K(o=0.87,f=-0.58) USER MOD Single : A 102 LYS NZ :NH3+ -160:sc= -0.0921 (180deg=-0.546) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0787 USER MOD Single : A 106 MET CE :methyl -156:sc= -1.37 (180deg=-2.44) USER MOD Single : A 111 LYS NZ :NH3+ -164:sc= -0.0378 (180deg=-0.295) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 9.126 3.678 -3.667 1.00 0.00 N ATOM 42 CA LEU A 4 10.354 3.053 -4.140 1.00 0.00 C ATOM 43 C LEU A 4 10.082 1.620 -4.585 1.00 0.00 C ATOM 44 O LEU A 4 9.711 0.777 -3.769 1.00 0.00 O ATOM 45 CB LEU A 4 11.398 3.113 -3.017 1.00 0.00 C ATOM 46 CG LEU A 4 12.658 2.302 -3.339 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.888 3.111 -2.934 1.00 0.00 C ATOM 48 CD2 LEU A 4 12.671 0.997 -2.540 1.00 0.00 C ATOM 0 HA LEU A 4 10.741 3.588 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.675 4.152 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.955 2.738 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 4 12.667 2.081 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.789 2.541 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.904 4.050 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.850 3.321 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.572 0.432 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 4 12.657 1.223 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 4 11.793 0.405 -2.796 1.00 0.00 H new ATOM 60 N THR A 5 10.270 1.348 -5.880 1.00 0.00 N ATOM 61 CA THR A 5 10.130 0.012 -6.445 1.00 0.00 C ATOM 62 C THR A 5 11.075 -0.257 -7.612 1.00 0.00 C ATOM 63 O THR A 5 11.535 -1.384 -7.777 1.00 0.00 O ATOM 64 CB THR A 5 8.679 -0.272 -6.863 1.00 0.00 C ATOM 65 OG1 THR A 5 8.425 0.336 -8.108 1.00 0.00 O ATOM 66 CG2 THR A 5 7.653 0.224 -5.841 1.00 0.00 C ATOM 0 H THR A 5 10.525 2.058 -6.567 1.00 0.00 H new ATOM 0 HA THR A 5 10.412 -0.673 -5.645 1.00 0.00 H new ATOM 0 HB THR A 5 8.571 -1.355 -6.927 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.500 0.155 -8.378 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.648 -0.006 -6.194 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.824 -0.270 -4.885 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.756 1.302 -5.716 1.00 0.00 H new ATOM 74 N GLN A 6 11.375 0.763 -8.423 1.00 0.00 N ATOM 75 CA GLN A 6 12.238 0.584 -9.584 1.00 0.00 C ATOM 76 C GLN A 6 13.687 0.527 -9.117 1.00 0.00 C ATOM 77 O GLN A 6 14.233 1.538 -8.677 1.00 0.00 O ATOM 78 CB GLN A 6 12.039 1.742 -10.572 1.00 0.00 C ATOM 79 CG GLN A 6 10.557 2.071 -10.802 1.00 0.00 C ATOM 80 CD GLN A 6 9.753 0.895 -11.348 1.00 0.00 C ATOM 81 OE1 GLN A 6 10.310 -0.098 -11.810 1.00 0.00 O ATOM 82 NE2 GLN A 6 8.429 1.002 -11.305 1.00 0.00 N ATOM 0 H GLN A 6 11.032 1.715 -8.294 1.00 0.00 H new ATOM 0 HA GLN A 6 11.984 -0.346 -10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.550 2.628 -10.196 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.503 1.486 -11.525 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.115 2.398 -9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.482 2.907 -11.497 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.997 1.840 -10.915 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.844 0.246 -11.662 1.00 0.00 H new ATOM 91 N ILE A 7 14.315 -0.648 -9.209 1.00 0.00 N ATOM 92 CA ILE A 7 15.682 -0.816 -8.735 1.00 0.00 C ATOM 93 C ILE A 7 16.562 -1.487 -9.783 1.00 0.00 C ATOM 94 O ILE A 7 16.141 -2.442 -10.435 1.00 0.00 O ATOM 95 CB ILE A 7 15.673 -1.576 -7.402 1.00 0.00 C ATOM 96 CG1 ILE A 7 14.982 -0.683 -6.359 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.108 -1.909 -6.969 1.00 0.00 C ATOM 98 CD1 ILE A 7 15.040 -1.273 -4.951 1.00 0.00 C ATOM 0 H ILE A 7 13.898 -1.490 -9.606 1.00 0.00 H new ATOM 0 HA ILE A 7 16.122 0.166 -8.562 1.00 0.00 H new ATOM 0 HB ILE A 7 15.135 -2.518 -7.503 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.454 0.299 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.941 -0.536 -6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.086 -2.448 -6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.583 -2.530 -7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.675 -0.986 -6.848 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.537 -0.602 -4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.544 -2.243 -4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.081 -1.395 -4.650 1.00 0.00 H new ATOM 110 N LEU A 8 17.789 -0.978 -9.935 1.00 0.00 N ATOM 111 CA LEU A 8 18.779 -1.573 -10.821 1.00 0.00 C ATOM 112 C LEU A 8 19.765 -2.403 -10.004 1.00 0.00 C ATOM 113 O LEU A 8 19.986 -2.124 -8.827 1.00 0.00 O ATOM 114 CB LEU A 8 19.517 -0.478 -11.599 1.00 0.00 C ATOM 115 CG LEU A 8 20.200 -1.071 -12.838 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.240 -1.025 -14.024 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.463 -0.290 -13.195 1.00 0.00 C ATOM 0 H LEU A 8 18.117 -0.145 -9.447 1.00 0.00 H new ATOM 0 HA LEU A 8 18.276 -2.224 -11.536 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.815 0.299 -11.900 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.260 -0.005 -10.957 1.00 0.00 H new ATOM 0 HG LEU A 8 20.474 -2.102 -12.613 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.727 -1.447 -14.903 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.346 -1.604 -13.791 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.960 0.009 -14.225 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.927 -0.732 -14.077 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.202 0.748 -13.404 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.162 -0.328 -12.360 1.00 0.00 H new ATOM 129 N ILE A 9 20.362 -3.418 -10.629 1.00 0.00 N ATOM 130 CA ILE A 9 21.366 -4.250 -9.989 1.00 0.00 C ATOM 131 C ILE A 9 22.642 -4.234 -10.827 1.00 0.00 C ATOM 132 O ILE A 9 22.586 -4.211 -12.057 1.00 0.00 O ATOM 133 CB ILE A 9 20.828 -5.676 -9.818 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.528 -5.673 -9.000 1.00 0.00 C ATOM 135 CG2 ILE A 9 21.876 -6.552 -9.132 1.00 0.00 C ATOM 136 CD1 ILE A 9 18.819 -7.023 -9.124 1.00 0.00 C ATOM 0 H ILE A 9 20.159 -3.682 -11.593 1.00 0.00 H new ATOM 0 HA ILE A 9 21.599 -3.859 -8.998 1.00 0.00 H new ATOM 0 HB ILE A 9 20.612 -6.083 -10.806 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.750 -5.466 -7.953 1.00 0.00 H new ATOM 0 HG13 ILE A 9 18.872 -4.876 -9.350 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.485 -7.563 -9.015 1.00 0.00 H new ATOM 0 HG22 ILE A 9 22.780 -6.581 -9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.111 -6.138 -8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.899 -7.006 -8.539 1.00 0.00 H new ATOM 0 HD12 ILE A 9 18.580 -7.214 -10.170 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.472 -7.812 -8.751 1.00 0.00 H new ATOM 148 N VAL A 10 23.795 -4.245 -10.155 1.00 0.00 N ATOM 149 CA VAL A 10 25.090 -4.307 -10.820 1.00 0.00 C ATOM 150 C VAL A 10 25.971 -5.330 -10.116 1.00 0.00 C ATOM 151 O VAL A 10 26.468 -5.075 -9.022 1.00 0.00 O ATOM 152 CB VAL A 10 25.748 -2.924 -10.852 1.00 0.00 C ATOM 153 CG1 VAL A 10 27.004 -2.975 -11.722 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.794 -1.862 -11.400 1.00 0.00 C ATOM 0 H VAL A 10 23.853 -4.211 -9.137 1.00 0.00 H new ATOM 0 HA VAL A 10 24.952 -4.622 -11.854 1.00 0.00 H new ATOM 0 HB VAL A 10 26.009 -2.651 -9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.471 -1.991 -11.744 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.704 -3.700 -11.308 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.733 -3.271 -12.735 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.294 -0.893 -11.408 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.499 -2.127 -12.415 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.908 -1.808 -10.767 1.00 0.00 H new ATOM 164 N GLU A 11 26.154 -6.487 -10.750 1.00 0.00 N ATOM 165 CA GLU A 11 26.854 -7.610 -10.146 1.00 0.00 C ATOM 166 C GLU A 11 27.387 -8.538 -11.238 1.00 0.00 C ATOM 167 O GLU A 11 26.801 -8.626 -12.314 1.00 0.00 O ATOM 168 CB GLU A 11 25.875 -8.350 -9.227 1.00 0.00 C ATOM 169 CG GLU A 11 26.481 -9.623 -8.636 1.00 0.00 C ATOM 170 CD GLU A 11 27.730 -9.325 -7.809 1.00 0.00 C ATOM 171 OE1 GLU A 11 27.736 -8.282 -7.123 1.00 0.00 O ATOM 172 OE2 GLU A 11 28.667 -10.151 -7.875 1.00 0.00 O ATOM 0 H GLU A 11 25.820 -6.668 -11.696 1.00 0.00 H new ATOM 0 HA GLU A 11 27.705 -7.260 -9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 11 25.568 -7.687 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 11 24.976 -8.605 -9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 11 25.741 -10.121 -8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 11 26.734 -10.313 -9.441 1.00 0.00 H new ATOM 179 N ASP A 12 28.498 -9.230 -10.963 1.00 0.00 N ATOM 180 CA ASP A 12 29.085 -10.172 -11.909 1.00 0.00 C ATOM 181 C ASP A 12 28.940 -11.637 -11.474 1.00 0.00 C ATOM 182 O ASP A 12 28.930 -12.535 -12.312 1.00 0.00 O ATOM 183 CB ASP A 12 30.531 -9.760 -12.224 1.00 0.00 C ATOM 184 CG ASP A 12 31.338 -10.884 -12.868 1.00 0.00 C ATOM 185 OD1 ASP A 12 32.438 -11.171 -12.344 1.00 0.00 O ATOM 186 OD2 ASP A 12 30.850 -11.442 -13.878 1.00 0.00 O ATOM 0 H ASP A 12 29.009 -9.151 -10.084 1.00 0.00 H new ATOM 0 HA ASP A 12 28.517 -10.121 -12.838 1.00 0.00 H new ATOM 0 HB2 ASP A 12 30.521 -8.898 -12.890 1.00 0.00 H new ATOM 0 HB3 ASP A 12 31.024 -9.446 -11.304 1.00 0.00 H new ATOM 191 N GLU A 13 28.821 -11.892 -10.167 1.00 0.00 N ATOM 192 CA GLU A 13 28.620 -13.252 -9.686 1.00 0.00 C ATOM 193 C GLU A 13 27.214 -13.715 -10.081 1.00 0.00 C ATOM 194 O GLU A 13 26.253 -12.970 -9.891 1.00 0.00 O ATOM 195 CB GLU A 13 28.793 -13.287 -8.159 1.00 0.00 C ATOM 196 CG GLU A 13 28.678 -14.710 -7.602 1.00 0.00 C ATOM 197 CD GLU A 13 29.863 -15.596 -7.989 1.00 0.00 C ATOM 198 OE1 GLU A 13 29.831 -16.783 -7.594 1.00 0.00 O ATOM 199 OE2 GLU A 13 30.784 -15.088 -8.666 1.00 0.00 O ATOM 0 H GLU A 13 28.860 -11.182 -9.436 1.00 0.00 H new ATOM 0 HA GLU A 13 29.355 -13.922 -10.132 1.00 0.00 H new ATOM 0 HB2 GLU A 13 29.765 -12.871 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.038 -12.653 -7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.604 -14.665 -6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.756 -15.164 -7.966 1.00 0.00 H new ATOM 206 N PRO A 14 27.066 -14.932 -10.625 1.00 0.00 N ATOM 207 CA PRO A 14 25.778 -15.434 -11.073 1.00 0.00 C ATOM 208 C PRO A 14 24.778 -15.530 -9.926 1.00 0.00 C ATOM 209 O PRO A 14 23.610 -15.175 -10.088 1.00 0.00 O ATOM 210 CB PRO A 14 26.057 -16.825 -11.659 1.00 0.00 C ATOM 211 CG PRO A 14 27.558 -16.832 -11.944 1.00 0.00 C ATOM 212 CD PRO A 14 28.130 -15.879 -10.899 1.00 0.00 C ATOM 0 HA PRO A 14 25.333 -14.761 -11.806 1.00 0.00 H new ATOM 0 HB2 PRO A 14 25.784 -17.613 -10.957 1.00 0.00 H new ATOM 0 HB3 PRO A 14 25.480 -16.994 -12.568 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.979 -17.833 -11.846 1.00 0.00 H new ATOM 0 HG3 PRO A 14 27.775 -16.492 -12.957 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.423 -16.415 -9.996 1.00 0.00 H new ATOM 0 HD3 PRO A 14 29.021 -15.374 -11.273 1.00 0.00 H new ATOM 220 N LEU A 15 25.236 -16.010 -8.767 1.00 0.00 N ATOM 221 CA LEU A 15 24.370 -16.268 -7.629 1.00 0.00 C ATOM 222 C LEU A 15 23.850 -14.972 -7.022 1.00 0.00 C ATOM 223 O LEU A 15 22.649 -14.827 -6.822 1.00 0.00 O ATOM 224 CB LEU A 15 25.145 -17.061 -6.573 1.00 0.00 C ATOM 225 CG LEU A 15 25.063 -18.559 -6.858 1.00 0.00 C ATOM 226 CD1 LEU A 15 26.081 -19.291 -5.989 1.00 0.00 C ATOM 227 CD2 LEU A 15 23.667 -19.075 -6.515 1.00 0.00 C ATOM 0 H LEU A 15 26.218 -16.228 -8.598 1.00 0.00 H new ATOM 0 HA LEU A 15 23.511 -16.845 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.188 -16.743 -6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 15 24.740 -16.851 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 15 25.271 -18.735 -7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.027 -20.361 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 15 27.083 -18.929 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.861 -19.106 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 15 23.614 -20.144 -6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.463 -18.897 -5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 15 22.927 -18.552 -7.121 1.00 0.00 H new ATOM 239 N ILE A 16 24.738 -14.022 -6.728 1.00 0.00 N ATOM 240 CA ILE A 16 24.331 -12.806 -6.046 1.00 0.00 C ATOM 241 C ILE A 16 23.422 -11.974 -6.952 1.00 0.00 C ATOM 242 O ILE A 16 22.591 -11.216 -6.464 1.00 0.00 O ATOM 243 CB ILE A 16 25.575 -12.015 -5.614 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.562 -12.905 -4.835 1.00 0.00 C ATOM 245 CG2 ILE A 16 25.154 -10.815 -4.759 1.00 0.00 C ATOM 246 CD1 ILE A 16 25.930 -13.566 -3.609 1.00 0.00 C ATOM 0 H ILE A 16 25.732 -14.075 -6.951 1.00 0.00 H new ATOM 0 HA ILE A 16 23.763 -13.060 -5.151 1.00 0.00 H new ATOM 0 HB ILE A 16 26.084 -11.660 -6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 16 26.948 -13.678 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.414 -12.303 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.039 -10.257 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.498 -10.167 -5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.625 -11.167 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 16 26.675 -14.180 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 16 25.568 -12.797 -2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.096 -14.193 -3.923 1.00 0.00 H new ATOM 258 N ALA A 17 23.570 -12.117 -8.273 1.00 0.00 N ATOM 259 CA ALA A 17 22.745 -11.387 -9.215 1.00 0.00 C ATOM 260 C ALA A 17 21.328 -11.962 -9.245 1.00 0.00 C ATOM 261 O ALA A 17 20.359 -11.206 -9.205 1.00 0.00 O ATOM 262 CB ALA A 17 23.386 -11.450 -10.603 1.00 0.00 C ATOM 0 H ALA A 17 24.257 -12.735 -8.705 1.00 0.00 H new ATOM 0 HA ALA A 17 22.675 -10.345 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.768 -10.902 -11.314 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.379 -11.003 -10.566 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.468 -12.490 -10.919 1.00 0.00 H new ATOM 268 N MET A 18 21.191 -13.290 -9.313 1.00 0.00 N ATOM 269 CA MET A 18 19.877 -13.913 -9.407 1.00 0.00 C ATOM 270 C MET A 18 19.151 -13.859 -8.063 1.00 0.00 C ATOM 271 O MET A 18 17.923 -13.863 -8.026 1.00 0.00 O ATOM 272 CB MET A 18 20.016 -15.361 -9.900 1.00 0.00 C ATOM 273 CG MET A 18 20.761 -16.246 -8.897 1.00 0.00 C ATOM 274 SD MET A 18 20.790 -18.008 -9.332 1.00 0.00 S ATOM 275 CE MET A 18 21.839 -17.945 -10.807 1.00 0.00 C ATOM 0 H MET A 18 21.972 -13.947 -9.304 1.00 0.00 H new ATOM 0 HA MET A 18 19.278 -13.357 -10.128 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.025 -15.777 -10.083 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.546 -15.369 -10.852 1.00 0.00 H new ATOM 0 HG2 MET A 18 21.787 -15.889 -8.807 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.298 -16.133 -7.917 1.00 0.00 H new ATOM 0 HE1 MET A 18 21.992 -18.955 -11.188 1.00 0.00 H new ATOM 0 HE2 MET A 18 21.355 -17.338 -11.572 1.00 0.00 H new ATOM 0 HE3 MET A 18 22.802 -17.504 -10.550 1.00 0.00 H new ATOM 285 N MET A 19 19.899 -13.811 -6.958 1.00 0.00 N ATOM 286 CA MET A 19 19.306 -13.716 -5.635 1.00 0.00 C ATOM 287 C MET A 19 18.719 -12.327 -5.404 1.00 0.00 C ATOM 288 O MET A 19 17.703 -12.191 -4.726 1.00 0.00 O ATOM 289 CB MET A 19 20.359 -14.051 -4.574 1.00 0.00 C ATOM 290 CG MET A 19 20.661 -15.555 -4.569 1.00 0.00 C ATOM 291 SD MET A 19 19.243 -16.613 -4.164 1.00 0.00 S ATOM 292 CE MET A 19 18.950 -16.084 -2.455 1.00 0.00 C ATOM 0 H MET A 19 20.919 -13.837 -6.960 1.00 0.00 H new ATOM 0 HA MET A 19 18.490 -14.435 -5.559 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.273 -13.492 -4.772 1.00 0.00 H new ATOM 0 HB3 MET A 19 20.003 -13.743 -3.591 1.00 0.00 H new ATOM 0 HG2 MET A 19 21.040 -15.839 -5.551 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.458 -15.749 -3.852 1.00 0.00 H new ATOM 0 HE1 MET A 19 18.841 -16.961 -1.816 1.00 0.00 H new ATOM 0 HE2 MET A 19 19.793 -15.486 -2.110 1.00 0.00 H new ATOM 0 HE3 MET A 19 18.039 -15.487 -2.410 1.00 0.00 H new ATOM 302 N LEU A 20 19.354 -11.290 -5.968 1.00 0.00 N ATOM 303 CA LEU A 20 18.863 -9.929 -5.825 1.00 0.00 C ATOM 304 C LEU A 20 17.610 -9.721 -6.675 1.00 0.00 C ATOM 305 O LEU A 20 16.730 -8.948 -6.296 1.00 0.00 O ATOM 306 CB LEU A 20 19.965 -8.950 -6.240 1.00 0.00 C ATOM 307 CG LEU A 20 21.039 -8.834 -5.153 1.00 0.00 C ATOM 308 CD1 LEU A 20 22.206 -8.004 -5.684 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.476 -8.139 -3.913 1.00 0.00 C ATOM 0 H LEU A 20 20.205 -11.376 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 20 18.596 -9.748 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.421 -9.285 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.531 -7.969 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 20 21.371 -9.837 -4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.972 -7.919 -4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.628 -8.490 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.852 -7.009 -5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.253 -8.066 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.134 -7.139 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.638 -8.716 -3.521 1.00 0.00 H new ATOM 321 N GLU A 21 17.523 -10.404 -7.815 1.00 0.00 N ATOM 322 CA GLU A 21 16.355 -10.314 -8.675 1.00 0.00 C ATOM 323 C GLU A 21 15.162 -11.012 -8.029 1.00 0.00 C ATOM 324 O GLU A 21 14.018 -10.613 -8.248 1.00 0.00 O ATOM 325 CB GLU A 21 16.667 -10.955 -10.027 1.00 0.00 C ATOM 326 CG GLU A 21 17.688 -10.110 -10.788 1.00 0.00 C ATOM 327 CD GLU A 21 18.175 -10.801 -12.063 1.00 0.00 C ATOM 328 OE1 GLU A 21 17.731 -11.945 -12.315 1.00 0.00 O ATOM 329 OE2 GLU A 21 18.988 -10.173 -12.777 1.00 0.00 O ATOM 0 H GLU A 21 18.253 -11.027 -8.161 1.00 0.00 H new ATOM 0 HA GLU A 21 16.102 -9.264 -8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.056 -11.963 -9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.753 -11.049 -10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.242 -9.149 -11.045 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.540 -9.903 -10.141 1.00 0.00 H new ATOM 336 N ASP A 22 15.420 -12.054 -7.229 1.00 0.00 N ATOM 337 CA ASP A 22 14.361 -12.796 -6.563 1.00 0.00 C ATOM 338 C ASP A 22 13.806 -11.997 -5.384 1.00 0.00 C ATOM 339 O ASP A 22 12.594 -11.974 -5.156 1.00 0.00 O ATOM 340 CB ASP A 22 14.924 -14.145 -6.103 1.00 0.00 C ATOM 341 CG ASP A 22 13.886 -14.997 -5.373 1.00 0.00 C ATOM 342 OD1 ASP A 22 14.318 -15.855 -4.570 1.00 0.00 O ATOM 343 OD2 ASP A 22 12.680 -14.787 -5.621 1.00 0.00 O ATOM 0 H ASP A 22 16.360 -12.398 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 22 13.536 -12.968 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.295 -14.694 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.776 -13.974 -5.445 1.00 0.00 H new ATOM 348 N PHE A 23 14.690 -11.334 -4.630 1.00 0.00 N ATOM 349 CA PHE A 23 14.277 -10.584 -3.454 1.00 0.00 C ATOM 350 C PHE A 23 13.482 -9.321 -3.745 1.00 0.00 C ATOM 351 O PHE A 23 12.666 -8.900 -2.927 1.00 0.00 O ATOM 352 CB PHE A 23 15.470 -10.303 -2.541 1.00 0.00 C ATOM 353 CG PHE A 23 15.923 -11.496 -1.725 1.00 0.00 C ATOM 354 CD1 PHE A 23 15.006 -12.197 -0.929 1.00 0.00 C ATOM 355 CD2 PHE A 23 17.265 -11.900 -1.764 1.00 0.00 C ATOM 356 CE1 PHE A 23 15.428 -13.305 -0.181 1.00 0.00 C ATOM 357 CE2 PHE A 23 17.687 -13.004 -1.010 1.00 0.00 C ATOM 358 CZ PHE A 23 16.768 -13.705 -0.218 1.00 0.00 C ATOM 0 H PHE A 23 15.692 -11.306 -4.818 1.00 0.00 H new ATOM 0 HA PHE A 23 13.573 -11.232 -2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.305 -9.955 -3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.210 -9.491 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.973 -11.883 -0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.974 -11.361 -2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 23 14.718 -13.850 0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 23 18.721 -13.314 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 23 17.094 -14.554 0.364 1.00 0.00 H new ATOM 368 N LEU A 24 13.704 -8.699 -4.907 1.00 0.00 N ATOM 369 CA LEU A 24 12.962 -7.505 -5.274 1.00 0.00 C ATOM 370 C LEU A 24 11.547 -7.879 -5.699 1.00 0.00 C ATOM 371 O LEU A 24 10.602 -7.155 -5.399 1.00 0.00 O ATOM 372 CB LEU A 24 13.688 -6.773 -6.400 1.00 0.00 C ATOM 373 CG LEU A 24 14.987 -6.135 -5.897 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.750 -5.565 -7.085 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.684 -5.006 -4.914 1.00 0.00 C ATOM 0 H LEU A 24 14.387 -9.005 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 24 12.897 -6.841 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.911 -7.471 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.038 -6.003 -6.815 1.00 0.00 H new ATOM 0 HG LEU A 24 15.581 -6.895 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.677 -5.108 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.981 -6.366 -7.787 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.139 -4.812 -7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.618 -4.565 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.084 -4.243 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.133 -5.404 -4.062 1.00 0.00 H new ATOM 387 N GLU A 25 11.388 -9.009 -6.394 1.00 0.00 N ATOM 388 CA GLU A 25 10.079 -9.409 -6.887 1.00 0.00 C ATOM 389 C GLU A 25 9.198 -9.961 -5.765 1.00 0.00 C ATOM 390 O GLU A 25 7.976 -9.911 -5.875 1.00 0.00 O ATOM 391 CB GLU A 25 10.246 -10.427 -8.016 1.00 0.00 C ATOM 392 CG GLU A 25 10.869 -9.756 -9.241 1.00 0.00 C ATOM 393 CD GLU A 25 10.980 -10.721 -10.421 1.00 0.00 C ATOM 394 OE1 GLU A 25 11.370 -10.243 -11.509 1.00 0.00 O ATOM 395 OE2 GLU A 25 10.678 -11.922 -10.232 1.00 0.00 O ATOM 0 H GLU A 25 12.145 -9.653 -6.623 1.00 0.00 H new ATOM 0 HA GLU A 25 9.571 -8.528 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.877 -11.251 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.278 -10.853 -8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.266 -8.896 -9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.859 -9.379 -8.985 1.00 0.00 H new ATOM 402 N VAL A 26 9.802 -10.486 -4.687 1.00 0.00 N ATOM 403 CA VAL A 26 9.029 -10.970 -3.547 1.00 0.00 C ATOM 404 C VAL A 26 8.603 -9.833 -2.612 1.00 0.00 C ATOM 405 O VAL A 26 7.622 -9.963 -1.881 1.00 0.00 O ATOM 406 CB VAL A 26 9.787 -12.086 -2.816 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.826 -11.524 -1.848 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.798 -12.944 -2.028 1.00 0.00 C ATOM 0 H VAL A 26 10.812 -10.583 -4.587 1.00 0.00 H new ATOM 0 HA VAL A 26 8.102 -11.400 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 26 10.302 -12.683 -3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.341 -12.345 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.549 -10.923 -2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.330 -10.902 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.337 -13.737 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.277 -12.323 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.074 -13.386 -2.712 1.00 0.00 H new ATOM 418 N LEU A 27 9.342 -8.718 -2.643 1.00 0.00 N ATOM 419 CA LEU A 27 8.974 -7.513 -1.907 1.00 0.00 C ATOM 420 C LEU A 27 7.996 -6.664 -2.725 1.00 0.00 C ATOM 421 O LEU A 27 7.763 -5.500 -2.396 1.00 0.00 O ATOM 422 CB LEU A 27 10.239 -6.713 -1.577 1.00 0.00 C ATOM 423 CG LEU A 27 11.095 -7.398 -0.510 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.382 -6.593 -0.325 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.352 -7.457 0.824 1.00 0.00 C ATOM 0 H LEU A 27 10.206 -8.630 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 27 8.479 -7.796 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.829 -6.580 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.958 -5.718 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 27 11.317 -8.415 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.003 -7.069 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.926 -6.555 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.135 -5.580 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.979 -7.948 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.119 -6.445 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.427 -8.020 0.701 1.00 0.00 H new ATOM 437 N ASP A 28 7.422 -7.241 -3.786 1.00 0.00 N ATOM 438 CA ASP A 28 6.528 -6.536 -4.698 1.00 0.00 C ATOM 439 C ASP A 28 7.170 -5.306 -5.350 1.00 0.00 C ATOM 440 O ASP A 28 6.468 -4.396 -5.802 1.00 0.00 O ATOM 441 CB ASP A 28 5.181 -6.233 -4.029 1.00 0.00 C ATOM 442 CG ASP A 28 4.361 -7.497 -3.764 1.00 0.00 C ATOM 443 OD1 ASP A 28 3.284 -7.356 -3.139 1.00 0.00 O ATOM 444 OD2 ASP A 28 4.808 -8.586 -4.184 1.00 0.00 O ATOM 0 H ASP A 28 7.569 -8.219 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 28 6.327 -7.211 -5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.356 -5.713 -3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.607 -5.558 -4.664 1.00 0.00 H new ATOM 449 N LYS A 29 8.506 -5.275 -5.401 1.00 0.00 N ATOM 450 CA LYS A 29 9.257 -4.227 -6.084 1.00 0.00 C ATOM 451 C LYS A 29 9.516 -4.662 -7.526 1.00 0.00 C ATOM 452 O LYS A 29 8.997 -5.687 -7.971 1.00 0.00 O ATOM 453 CB LYS A 29 10.572 -3.955 -5.344 1.00 0.00 C ATOM 454 CG LYS A 29 10.358 -3.718 -3.846 1.00 0.00 C ATOM 455 CD LYS A 29 9.344 -2.603 -3.591 1.00 0.00 C ATOM 456 CE LYS A 29 9.296 -2.286 -2.097 1.00 0.00 C ATOM 457 NZ LYS A 29 8.423 -1.129 -1.829 1.00 0.00 N ATOM 0 H LYS A 29 9.097 -5.983 -4.965 1.00 0.00 H new ATOM 0 HA LYS A 29 8.682 -3.301 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.246 -4.800 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.059 -3.083 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.012 -4.639 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.308 -3.460 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.620 -1.711 -4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.358 -2.908 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.932 -3.155 -1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.302 -2.078 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.513 -0.850 -0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.704 -0.334 -2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.435 -1.386 -2.029 1.00 0.00 H new ATOM 471 N THR A 30 10.316 -3.886 -8.259 1.00 0.00 N ATOM 472 CA THR A 30 10.576 -4.141 -9.669 1.00 0.00 C ATOM 473 C THR A 30 12.052 -4.024 -10.041 1.00 0.00 C ATOM 474 O THR A 30 12.584 -2.913 -10.090 1.00 0.00 O ATOM 475 CB THR A 30 9.714 -3.216 -10.535 1.00 0.00 C ATOM 476 OG1 THR A 30 8.398 -3.157 -10.028 1.00 0.00 O ATOM 477 CG2 THR A 30 9.684 -3.711 -11.979 1.00 0.00 C ATOM 0 H THR A 30 10.799 -3.067 -7.890 1.00 0.00 H new ATOM 0 HA THR A 30 10.302 -5.178 -9.862 1.00 0.00 H new ATOM 0 HB THR A 30 10.153 -2.218 -10.511 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.858 -2.562 -10.589 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.067 -3.043 -12.580 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.698 -3.727 -12.379 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.265 -4.717 -12.010 1.00 0.00 H new ATOM 485 N PRO A 31 12.728 -5.151 -10.307 1.00 0.00 N ATOM 486 CA PRO A 31 14.066 -5.146 -10.866 1.00 0.00 C ATOM 487 C PRO A 31 13.985 -4.738 -12.337 1.00 0.00 C ATOM 488 O PRO A 31 13.630 -5.550 -13.190 1.00 0.00 O ATOM 489 CB PRO A 31 14.583 -6.573 -10.702 1.00 0.00 C ATOM 490 CG PRO A 31 13.325 -7.436 -10.614 1.00 0.00 C ATOM 491 CD PRO A 31 12.234 -6.501 -10.097 1.00 0.00 C ATOM 0 HA PRO A 31 14.735 -4.441 -10.373 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.206 -6.867 -11.546 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.194 -6.672 -9.805 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.061 -7.848 -11.588 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.473 -8.280 -9.940 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.298 -6.661 -10.632 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.033 -6.683 -9.041 1.00 0.00 H new ATOM 499 N VAL A 32 14.314 -3.477 -12.634 1.00 0.00 N ATOM 500 CA VAL A 32 14.166 -2.937 -13.985 1.00 0.00 C ATOM 501 C VAL A 32 15.321 -3.338 -14.899 1.00 0.00 C ATOM 502 O VAL A 32 15.281 -3.039 -16.093 1.00 0.00 O ATOM 503 CB VAL A 32 13.982 -1.417 -13.940 1.00 0.00 C ATOM 504 CG1 VAL A 32 12.861 -1.059 -12.968 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.262 -0.702 -13.500 1.00 0.00 C ATOM 0 H VAL A 32 14.685 -2.812 -11.955 1.00 0.00 H new ATOM 0 HA VAL A 32 13.267 -3.376 -14.417 1.00 0.00 H new ATOM 0 HB VAL A 32 13.732 -1.089 -14.949 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.735 0.023 -12.941 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.932 -1.524 -13.297 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.114 -1.420 -11.971 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.090 0.374 -13.481 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.544 -1.042 -12.504 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.065 -0.928 -14.202 1.00 0.00 H new ATOM 515 N GLY A 33 16.344 -4.011 -14.365 1.00 0.00 N ATOM 516 CA GLY A 33 17.436 -4.499 -15.190 1.00 0.00 C ATOM 517 C GLY A 33 18.677 -4.827 -14.370 1.00 0.00 C ATOM 518 O GLY A 33 18.776 -4.468 -13.197 1.00 0.00 O ATOM 0 H GLY A 33 16.433 -4.226 -13.372 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.112 -5.390 -15.728 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.686 -3.748 -15.939 1.00 0.00 H new ATOM 522 N THR A 34 19.624 -5.515 -15.012 1.00 0.00 N ATOM 523 CA THR A 34 20.897 -5.890 -14.411 1.00 0.00 C ATOM 524 C THR A 34 22.035 -5.757 -15.412 1.00 0.00 C ATOM 525 O THR A 34 21.870 -6.090 -16.586 1.00 0.00 O ATOM 526 CB THR A 34 20.829 -7.306 -13.831 1.00 0.00 C ATOM 527 OG1 THR A 34 19.659 -7.463 -13.057 1.00 0.00 O ATOM 528 CG2 THR A 34 22.056 -7.597 -12.972 1.00 0.00 C ATOM 0 H THR A 34 19.522 -5.830 -15.977 1.00 0.00 H new ATOM 0 HA THR A 34 21.099 -5.202 -13.590 1.00 0.00 H new ATOM 0 HB THR A 34 20.807 -8.012 -14.661 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.455 -8.417 -12.962 1.00 0.00 H new ATOM 0 HG21 THR A 34 21.987 -8.608 -12.570 1.00 0.00 H new ATOM 0 HG22 THR A 34 22.956 -7.509 -13.581 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.103 -6.882 -12.150 1.00 0.00 H new ATOM 536 N VAL A 35 23.190 -5.275 -14.949 1.00 0.00 N ATOM 537 CA VAL A 35 24.362 -5.109 -15.799 1.00 0.00 C ATOM 538 C VAL A 35 25.629 -5.598 -15.104 1.00 0.00 C ATOM 539 O VAL A 35 25.662 -5.707 -13.878 1.00 0.00 O ATOM 540 CB VAL A 35 24.489 -3.652 -16.276 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.154 -3.115 -16.790 1.00 0.00 C ATOM 542 CG2 VAL A 35 24.949 -2.753 -15.133 1.00 0.00 C ATOM 0 H VAL A 35 23.335 -4.991 -13.980 1.00 0.00 H new ATOM 0 HA VAL A 35 24.230 -5.732 -16.684 1.00 0.00 H new ATOM 0 HB VAL A 35 25.221 -3.645 -17.084 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.279 -2.083 -17.119 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.815 -3.724 -17.628 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.414 -3.154 -15.990 1.00 0.00 H new ATOM 0 HG21 VAL A 35 25.033 -1.726 -15.489 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.223 -2.797 -14.321 1.00 0.00 H new ATOM 0 HG23 VAL A 35 25.920 -3.092 -14.771 1.00 0.00 H new ATOM 552 N ASP A 36 26.669 -5.895 -15.888 1.00 0.00 N ATOM 553 CA ASP A 36 27.937 -6.403 -15.371 1.00 0.00 C ATOM 554 C ASP A 36 29.142 -5.561 -15.795 1.00 0.00 C ATOM 555 O ASP A 36 30.284 -5.926 -15.516 1.00 0.00 O ATOM 556 CB ASP A 36 28.112 -7.887 -15.714 1.00 0.00 C ATOM 557 CG ASP A 36 27.786 -8.202 -17.179 1.00 0.00 C ATOM 558 OD1 ASP A 36 27.704 -7.250 -17.987 1.00 0.00 O ATOM 559 OD2 ASP A 36 27.624 -9.408 -17.474 1.00 0.00 O ATOM 0 H ASP A 36 26.652 -5.789 -16.902 1.00 0.00 H new ATOM 0 HA ASP A 36 27.894 -6.314 -14.285 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.139 -8.185 -15.503 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.468 -8.483 -15.067 1.00 0.00 H new ATOM 564 N THR A 37 28.887 -4.434 -16.467 1.00 0.00 N ATOM 565 CA THR A 37 29.918 -3.471 -16.839 1.00 0.00 C ATOM 566 C THR A 37 29.506 -2.049 -16.493 1.00 0.00 C ATOM 567 O THR A 37 28.319 -1.731 -16.458 1.00 0.00 O ATOM 568 CB THR A 37 30.327 -3.605 -18.308 1.00 0.00 C ATOM 569 OG1 THR A 37 29.370 -2.965 -19.128 1.00 0.00 O ATOM 570 CG2 THR A 37 30.465 -5.066 -18.723 1.00 0.00 C ATOM 0 H THR A 37 27.950 -4.166 -16.769 1.00 0.00 H new ATOM 0 HA THR A 37 30.802 -3.705 -16.245 1.00 0.00 H new ATOM 0 HB THR A 37 31.300 -3.129 -18.430 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.635 -3.051 -20.068 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.756 -5.120 -19.772 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.226 -5.548 -18.110 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.511 -5.575 -18.585 1.00 0.00 H new ATOM 578 N VAL A 38 30.492 -1.185 -16.235 1.00 0.00 N ATOM 579 CA VAL A 38 30.207 0.155 -15.756 1.00 0.00 C ATOM 580 C VAL A 38 29.646 1.072 -16.836 1.00 0.00 C ATOM 581 O VAL A 38 28.937 2.027 -16.528 1.00 0.00 O ATOM 582 CB VAL A 38 31.439 0.742 -15.062 1.00 0.00 C ATOM 583 CG1 VAL A 38 32.407 1.383 -16.056 1.00 0.00 C ATOM 584 CG2 VAL A 38 30.983 1.813 -14.086 1.00 0.00 C ATOM 0 H VAL A 38 31.484 -1.394 -16.351 1.00 0.00 H new ATOM 0 HA VAL A 38 29.409 0.077 -15.018 1.00 0.00 H new ATOM 0 HB VAL A 38 31.957 -0.072 -14.555 1.00 0.00 H new ATOM 0 HG11 VAL A 38 33.266 1.786 -15.519 1.00 0.00 H new ATOM 0 HG12 VAL A 38 32.745 0.632 -16.770 1.00 0.00 H new ATOM 0 HG13 VAL A 38 31.901 2.189 -16.588 1.00 0.00 H new ATOM 0 HG21 VAL A 38 31.851 2.241 -13.584 1.00 0.00 H new ATOM 0 HG22 VAL A 38 30.454 2.597 -14.627 1.00 0.00 H new ATOM 0 HG23 VAL A 38 30.317 1.371 -13.346 1.00 0.00 H new ATOM 594 N ALA A 39 29.951 0.791 -18.104 1.00 0.00 N ATOM 595 CA ALA A 39 29.403 1.565 -19.204 1.00 0.00 C ATOM 596 C ALA A 39 27.914 1.261 -19.360 1.00 0.00 C ATOM 597 O ALA A 39 27.153 2.101 -19.836 1.00 0.00 O ATOM 598 CB ALA A 39 30.174 1.232 -20.476 1.00 0.00 C ATOM 0 H ALA A 39 30.573 0.034 -18.388 1.00 0.00 H new ATOM 0 HA ALA A 39 29.506 2.631 -19.003 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.770 1.809 -21.308 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.226 1.481 -20.339 1.00 0.00 H new ATOM 0 HB3 ALA A 39 30.078 0.168 -20.692 1.00 0.00 H new ATOM 604 N GLY A 40 27.499 0.056 -18.956 1.00 0.00 N ATOM 605 CA GLY A 40 26.094 -0.316 -18.955 1.00 0.00 C ATOM 606 C GLY A 40 25.402 0.237 -17.718 1.00 0.00 C ATOM 607 O GLY A 40 24.214 0.547 -17.757 1.00 0.00 O ATOM 0 H GLY A 40 28.126 -0.677 -18.625 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.609 0.067 -19.853 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.998 -1.402 -18.979 1.00 0.00 H new ATOM 611 N ALA A 41 26.141 0.370 -16.613 1.00 0.00 N ATOM 612 CA ALA A 41 25.596 0.914 -15.379 1.00 0.00 C ATOM 613 C ALA A 41 25.371 2.416 -15.516 1.00 0.00 C ATOM 614 O ALA A 41 24.412 2.954 -14.963 1.00 0.00 O ATOM 615 CB ALA A 41 26.560 0.603 -14.236 1.00 0.00 C ATOM 0 H ALA A 41 27.124 0.105 -16.554 1.00 0.00 H new ATOM 0 HA ALA A 41 24.630 0.456 -15.165 1.00 0.00 H new ATOM 0 HB1 ALA A 41 26.162 1.006 -13.305 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.678 -0.477 -14.143 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.529 1.057 -14.443 1.00 0.00 H new ATOM 621 N LEU A 42 26.254 3.100 -16.254 1.00 0.00 N ATOM 622 CA LEU A 42 26.111 4.522 -16.523 1.00 0.00 C ATOM 623 C LEU A 42 24.969 4.753 -17.507 1.00 0.00 C ATOM 624 O LEU A 42 24.271 5.761 -17.419 1.00 0.00 O ATOM 625 CB LEU A 42 27.421 5.052 -17.120 1.00 0.00 C ATOM 626 CG LEU A 42 28.497 5.257 -16.047 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.851 5.463 -16.721 1.00 0.00 C ATOM 628 CD2 LEU A 42 28.180 6.494 -15.207 1.00 0.00 C ATOM 0 H LEU A 42 27.081 2.679 -16.676 1.00 0.00 H new ATOM 0 HA LEU A 42 25.889 5.048 -15.594 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.787 4.352 -17.872 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.232 5.997 -17.629 1.00 0.00 H new ATOM 0 HG LEU A 42 28.521 4.377 -15.404 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.618 5.609 -15.960 1.00 0.00 H new ATOM 0 HD12 LEU A 42 30.096 4.586 -17.320 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.807 6.341 -17.365 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.952 6.627 -14.449 1.00 0.00 H new ATOM 0 HD22 LEU A 42 28.148 7.373 -15.851 1.00 0.00 H new ATOM 0 HD23 LEU A 42 27.213 6.366 -14.721 1.00 0.00 H new ATOM 640 N ALA A 43 24.772 3.817 -18.440 1.00 0.00 N ATOM 641 CA ALA A 43 23.732 3.945 -19.450 1.00 0.00 C ATOM 642 C ALA A 43 22.351 3.659 -18.861 1.00 0.00 C ATOM 643 O ALA A 43 21.349 4.179 -19.350 1.00 0.00 O ATOM 644 CB ALA A 43 24.043 2.983 -20.596 1.00 0.00 C ATOM 0 H ALA A 43 25.324 2.962 -18.512 1.00 0.00 H new ATOM 0 HA ALA A 43 23.716 4.969 -19.823 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.272 3.067 -21.361 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.012 3.233 -21.028 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.068 1.961 -20.217 1.00 0.00 H new ATOM 650 N ARG A 44 22.288 2.832 -17.809 1.00 0.00 N ATOM 651 CA ARG A 44 21.026 2.485 -17.171 1.00 0.00 C ATOM 652 C ARG A 44 20.539 3.585 -16.235 1.00 0.00 C ATOM 653 O ARG A 44 19.350 3.896 -16.231 1.00 0.00 O ATOM 654 CB ARG A 44 21.179 1.164 -16.408 1.00 0.00 C ATOM 655 CG ARG A 44 21.035 -0.045 -17.337 1.00 0.00 C ATOM 656 CD ARG A 44 19.625 -0.106 -17.918 1.00 0.00 C ATOM 657 NE ARG A 44 19.369 -1.403 -18.560 1.00 0.00 N ATOM 658 CZ ARG A 44 18.259 -2.121 -18.374 1.00 0.00 C ATOM 659 NH1 ARG A 44 17.284 -1.677 -17.583 1.00 0.00 N ATOM 660 NH2 ARG A 44 18.117 -3.296 -18.983 1.00 0.00 N ATOM 0 H ARG A 44 23.105 2.392 -17.385 1.00 0.00 H new ATOM 0 HA ARG A 44 20.275 2.371 -17.953 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.154 1.135 -15.921 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.428 1.109 -15.620 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.765 0.020 -18.144 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.248 -0.962 -16.787 1.00 0.00 H new ATOM 0 HD2 ARG A 44 18.895 0.061 -17.126 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.494 0.695 -18.646 1.00 0.00 H new ATOM 0 HE ARG A 44 20.083 -1.777 -19.185 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.380 -0.778 -17.110 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.441 -2.236 -17.450 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.856 -3.648 -19.592 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.269 -3.845 -18.841 1.00 0.00 H new ATOM 674 N VAL A 45 21.439 4.175 -15.444 1.00 0.00 N ATOM 675 CA VAL A 45 21.042 5.240 -14.529 1.00 0.00 C ATOM 676 C VAL A 45 20.746 6.547 -15.267 1.00 0.00 C ATOM 677 O VAL A 45 20.009 7.389 -14.759 1.00 0.00 O ATOM 678 CB VAL A 45 22.092 5.411 -13.422 1.00 0.00 C ATOM 679 CG1 VAL A 45 23.346 6.116 -13.930 1.00 0.00 C ATOM 680 CG2 VAL A 45 21.498 6.237 -12.281 1.00 0.00 C ATOM 0 H VAL A 45 22.430 3.936 -15.420 1.00 0.00 H new ATOM 0 HA VAL A 45 20.106 4.950 -14.052 1.00 0.00 H new ATOM 0 HB VAL A 45 22.372 4.415 -13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 45 24.063 6.216 -13.115 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.791 5.531 -14.735 1.00 0.00 H new ATOM 0 HG13 VAL A 45 23.081 7.105 -14.304 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.243 6.359 -11.494 1.00 0.00 H new ATOM 0 HG22 VAL A 45 21.203 7.217 -12.656 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.625 5.725 -11.877 1.00 0.00 H new ATOM 690 N GLU A 46 21.316 6.720 -16.463 1.00 0.00 N ATOM 691 CA GLU A 46 21.082 7.901 -17.276 1.00 0.00 C ATOM 692 C GLU A 46 19.666 7.890 -17.860 1.00 0.00 C ATOM 693 O GLU A 46 19.142 8.939 -18.235 1.00 0.00 O ATOM 694 CB GLU A 46 22.153 7.955 -18.372 1.00 0.00 C ATOM 695 CG GLU A 46 21.889 9.041 -19.421 1.00 0.00 C ATOM 696 CD GLU A 46 21.888 10.458 -18.834 1.00 0.00 C ATOM 697 OE1 GLU A 46 22.137 10.594 -17.612 1.00 0.00 O ATOM 698 OE2 GLU A 46 21.634 11.397 -19.623 1.00 0.00 O ATOM 0 H GLU A 46 21.950 6.043 -16.888 1.00 0.00 H new ATOM 0 HA GLU A 46 21.156 8.799 -16.662 1.00 0.00 H new ATOM 0 HB2 GLU A 46 23.125 8.132 -17.912 1.00 0.00 H new ATOM 0 HB3 GLU A 46 22.206 6.986 -18.867 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.649 8.978 -20.200 1.00 0.00 H new ATOM 0 HG3 GLU A 46 20.927 8.851 -19.898 1.00 0.00 H new ATOM 705 N ASP A 47 19.041 6.713 -17.938 1.00 0.00 N ATOM 706 CA ASP A 47 17.683 6.586 -18.453 1.00 0.00 C ATOM 707 C ASP A 47 16.712 7.189 -17.436 1.00 0.00 C ATOM 708 O ASP A 47 15.614 7.608 -17.794 1.00 0.00 O ATOM 709 CB ASP A 47 17.380 5.099 -18.672 1.00 0.00 C ATOM 710 CG ASP A 47 16.066 4.872 -19.426 1.00 0.00 C ATOM 711 OD1 ASP A 47 15.546 3.740 -19.331 1.00 0.00 O ATOM 712 OD2 ASP A 47 15.603 5.826 -20.089 1.00 0.00 O ATOM 0 H ASP A 47 19.461 5.830 -17.648 1.00 0.00 H new ATOM 0 HA ASP A 47 17.576 7.115 -19.400 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.198 4.643 -19.230 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.333 4.595 -17.707 1.00 0.00 H new ATOM 717 N GLY A 48 17.120 7.236 -16.163 1.00 0.00 N ATOM 718 CA GLY A 48 16.329 7.826 -15.094 1.00 0.00 C ATOM 719 C GLY A 48 15.099 6.982 -14.767 1.00 0.00 C ATOM 720 O GLY A 48 14.934 5.879 -15.290 1.00 0.00 O ATOM 0 H GLY A 48 18.016 6.861 -15.850 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.945 7.931 -14.201 1.00 0.00 H new ATOM 0 HA3 GLY A 48 16.015 8.829 -15.385 1.00 0.00 H new ATOM 724 N GLY A 49 14.237 7.507 -13.894 1.00 0.00 N ATOM 725 CA GLY A 49 13.014 6.829 -13.479 1.00 0.00 C ATOM 726 C GLY A 49 13.291 5.724 -12.458 1.00 0.00 C ATOM 727 O GLY A 49 12.358 5.074 -11.988 1.00 0.00 O ATOM 0 H GLY A 49 14.371 8.418 -13.455 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.324 7.556 -13.049 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.522 6.401 -14.352 1.00 0.00 H new ATOM 731 N ILE A 50 14.566 5.512 -12.115 1.00 0.00 N ATOM 732 CA ILE A 50 14.968 4.503 -11.144 1.00 0.00 C ATOM 733 C ILE A 50 14.896 5.083 -9.731 1.00 0.00 C ATOM 734 O ILE A 50 15.223 6.251 -9.521 1.00 0.00 O ATOM 735 CB ILE A 50 16.376 3.997 -11.483 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.359 3.355 -12.879 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.843 2.978 -10.443 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.778 3.052 -13.360 1.00 0.00 C ATOM 0 H ILE A 50 15.346 6.039 -12.507 1.00 0.00 H new ATOM 0 HA ILE A 50 14.287 3.653 -11.186 1.00 0.00 H new ATOM 0 HB ILE A 50 17.070 4.837 -11.475 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.776 2.435 -12.853 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.867 4.024 -13.585 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.844 2.629 -10.699 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.862 3.446 -9.459 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.156 2.132 -10.429 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.737 2.598 -14.350 1.00 0.00 H new ATOM 0 HD12 ILE A 50 18.351 3.978 -13.408 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.259 2.364 -12.665 1.00 0.00 H new ATOM 750 N ASP A 51 14.470 4.266 -8.762 1.00 0.00 N ATOM 751 CA ASP A 51 14.277 4.710 -7.385 1.00 0.00 C ATOM 752 C ASP A 51 15.494 4.407 -6.510 1.00 0.00 C ATOM 753 O ASP A 51 15.714 5.092 -5.515 1.00 0.00 O ATOM 754 CB ASP A 51 13.031 4.029 -6.811 1.00 0.00 C ATOM 755 CG ASP A 51 11.774 4.357 -7.615 1.00 0.00 C ATOM 756 OD1 ASP A 51 10.821 3.548 -7.532 1.00 0.00 O ATOM 757 OD2 ASP A 51 11.775 5.403 -8.299 1.00 0.00 O ATOM 0 H ASP A 51 14.251 3.281 -8.914 1.00 0.00 H new ATOM 0 HA ASP A 51 14.146 5.792 -7.389 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.182 2.950 -6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.891 4.343 -5.777 1.00 0.00 H new ATOM 762 N ALA A 52 16.278 3.388 -6.879 1.00 0.00 N ATOM 763 CA ALA A 52 17.510 3.038 -6.180 1.00 0.00 C ATOM 764 C ALA A 52 18.319 2.052 -7.022 1.00 0.00 C ATOM 765 O ALA A 52 17.821 1.538 -8.024 1.00 0.00 O ATOM 766 CB ALA A 52 17.181 2.420 -4.819 1.00 0.00 C ATOM 0 H ALA A 52 16.071 2.784 -7.674 1.00 0.00 H new ATOM 0 HA ALA A 52 18.101 3.940 -6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.106 2.162 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.620 3.137 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.582 1.521 -4.963 1.00 0.00 H new ATOM 772 N ALA A 53 19.567 1.781 -6.626 1.00 0.00 N ATOM 773 CA ALA A 53 20.403 0.842 -7.360 1.00 0.00 C ATOM 774 C ALA A 53 21.354 0.095 -6.423 1.00 0.00 C ATOM 775 O ALA A 53 21.588 0.527 -5.293 1.00 0.00 O ATOM 776 CB ALA A 53 21.177 1.591 -8.445 1.00 0.00 C ATOM 0 H ALA A 53 20.012 2.197 -5.808 1.00 0.00 H new ATOM 0 HA ALA A 53 19.763 0.095 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.803 0.889 -8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.475 2.066 -9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.805 2.353 -7.984 1.00 0.00 H new ATOM 782 N ILE A 54 21.903 -1.025 -6.903 1.00 0.00 N ATOM 783 CA ILE A 54 22.874 -1.829 -6.166 1.00 0.00 C ATOM 784 C ILE A 54 24.167 -1.908 -6.979 1.00 0.00 C ATOM 785 O ILE A 54 24.111 -1.983 -8.209 1.00 0.00 O ATOM 786 CB ILE A 54 22.294 -3.217 -5.869 1.00 0.00 C ATOM 787 CG1 ILE A 54 20.905 -3.071 -5.225 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.249 -3.991 -4.953 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.318 -4.429 -4.835 1.00 0.00 C ATOM 0 H ILE A 54 21.681 -1.400 -7.825 1.00 0.00 H new ATOM 0 HA ILE A 54 23.099 -1.366 -5.205 1.00 0.00 H new ATOM 0 HB ILE A 54 22.183 -3.776 -6.798 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.978 -2.438 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.232 -2.570 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.834 -4.977 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.215 -4.101 -5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.378 -3.446 -4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.337 -4.285 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.220 -5.052 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.978 -4.919 -4.119 1.00 0.00 H new ATOM 801 N LEU A 55 25.324 -1.898 -6.313 1.00 0.00 N ATOM 802 CA LEU A 55 26.605 -1.760 -6.990 1.00 0.00 C ATOM 803 C LEU A 55 27.691 -2.641 -6.380 1.00 0.00 C ATOM 804 O LEU A 55 27.965 -2.561 -5.187 1.00 0.00 O ATOM 805 CB LEU A 55 27.029 -0.293 -6.931 1.00 0.00 C ATOM 806 CG LEU A 55 28.423 -0.076 -7.525 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.447 -0.425 -9.013 1.00 0.00 C ATOM 808 CD2 LEU A 55 28.794 1.387 -7.349 1.00 0.00 C ATOM 0 H LEU A 55 25.394 -1.985 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 55 26.480 -2.089 -8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.305 0.316 -7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.019 0.046 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 55 29.134 -0.724 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.449 -0.262 -9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.170 -1.471 -9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.738 0.208 -9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 55 29.785 1.564 -7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.066 2.012 -7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 55 28.797 1.636 -6.288 1.00 0.00 H new ATOM 820 N ASP A 56 28.314 -3.478 -7.208 1.00 0.00 N ATOM 821 CA ASP A 56 29.474 -4.258 -6.810 1.00 0.00 C ATOM 822 C ASP A 56 30.719 -3.355 -6.823 1.00 0.00 C ATOM 823 O ASP A 56 30.880 -2.540 -7.729 1.00 0.00 O ATOM 824 CB ASP A 56 29.612 -5.446 -7.767 1.00 0.00 C ATOM 825 CG ASP A 56 30.778 -6.378 -7.431 1.00 0.00 C ATOM 826 OD1 ASP A 56 31.452 -6.139 -6.405 1.00 0.00 O ATOM 827 OD2 ASP A 56 30.983 -7.330 -8.217 1.00 0.00 O ATOM 0 H ASP A 56 28.025 -3.631 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 56 29.361 -4.647 -5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.685 -6.020 -7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 56 29.741 -5.070 -8.782 1.00 0.00 H new ATOM 832 N VAL A 57 31.592 -3.495 -5.821 1.00 0.00 N ATOM 833 CA VAL A 57 32.762 -2.633 -5.671 1.00 0.00 C ATOM 834 C VAL A 57 33.706 -2.781 -6.865 1.00 0.00 C ATOM 835 O VAL A 57 34.446 -1.853 -7.186 1.00 0.00 O ATOM 836 CB VAL A 57 33.483 -2.990 -4.365 1.00 0.00 C ATOM 837 CG1 VAL A 57 34.735 -2.132 -4.173 1.00 0.00 C ATOM 838 CG2 VAL A 57 32.548 -2.762 -3.186 1.00 0.00 C ATOM 0 H VAL A 57 31.506 -4.207 -5.095 1.00 0.00 H new ATOM 0 HA VAL A 57 32.438 -1.593 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 57 33.778 -4.038 -4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.225 -2.407 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.420 -2.297 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.453 -1.080 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.062 -3.016 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.246 -1.715 -3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.665 -3.391 -3.295 1.00 0.00 H new ATOM 848 N ASN A 58 33.682 -3.941 -7.524 1.00 0.00 N ATOM 849 CA ASN A 58 34.514 -4.176 -8.695 1.00 0.00 C ATOM 850 C ASN A 58 33.801 -5.080 -9.696 1.00 0.00 C ATOM 851 O ASN A 58 33.470 -6.224 -9.390 1.00 0.00 O ATOM 852 CB ASN A 58 35.875 -4.755 -8.286 1.00 0.00 C ATOM 853 CG ASN A 58 35.794 -5.657 -7.058 1.00 0.00 C ATOM 854 OD1 ASN A 58 36.532 -5.461 -6.097 1.00 0.00 O ATOM 855 ND2 ASN A 58 34.907 -6.646 -7.075 1.00 0.00 N ATOM 0 H ASN A 58 33.092 -4.731 -7.262 1.00 0.00 H new ATOM 0 HA ASN A 58 34.694 -3.220 -9.186 1.00 0.00 H new ATOM 0 HB2 ASN A 58 36.288 -5.322 -9.120 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.566 -3.937 -8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 58 34.824 -7.271 -6.273 1.00 0.00 H new ATOM 0 HD22 ASN A 58 34.309 -6.781 -7.890 1.00 0.00 H new ATOM 862 N LEU A 59 33.565 -4.555 -10.900 1.00 0.00 N ATOM 863 CA LEU A 59 32.898 -5.287 -11.972 1.00 0.00 C ATOM 864 C LEU A 59 33.929 -6.140 -12.712 1.00 0.00 C ATOM 865 O LEU A 59 35.084 -6.228 -12.295 1.00 0.00 O ATOM 866 CB LEU A 59 32.225 -4.276 -12.912 1.00 0.00 C ATOM 867 CG LEU A 59 30.837 -3.862 -12.391 1.00 0.00 C ATOM 868 CD1 LEU A 59 30.838 -3.516 -10.905 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.369 -2.640 -13.167 1.00 0.00 C ATOM 0 H LEU A 59 33.834 -3.605 -11.157 1.00 0.00 H new ATOM 0 HA LEU A 59 32.132 -5.952 -11.573 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.856 -3.393 -13.011 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.127 -4.711 -13.907 1.00 0.00 H new ATOM 0 HG LEU A 59 30.171 -4.714 -12.531 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.832 -3.232 -10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.163 -4.383 -10.330 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.520 -2.685 -10.725 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.386 -2.336 -12.808 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.077 -1.824 -13.022 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.308 -2.884 -14.228 1.00 0.00 H new ATOM 881 N ARG A 60 33.506 -6.769 -13.816 1.00 0.00 N ATOM 882 CA ARG A 60 34.388 -7.596 -14.627 1.00 0.00 C ATOM 883 C ARG A 60 35.669 -6.848 -14.981 1.00 0.00 C ATOM 884 O ARG A 60 35.645 -5.641 -15.218 1.00 0.00 O ATOM 885 CB ARG A 60 33.650 -8.046 -15.884 1.00 0.00 C ATOM 886 CG ARG A 60 32.653 -9.148 -15.544 1.00 0.00 C ATOM 887 CD ARG A 60 31.823 -9.493 -16.779 1.00 0.00 C ATOM 888 NE ARG A 60 30.939 -10.626 -16.510 1.00 0.00 N ATOM 889 CZ ARG A 60 30.328 -11.341 -17.456 1.00 0.00 C ATOM 890 NH1 ARG A 60 30.485 -11.045 -18.744 1.00 0.00 N ATOM 891 NH2 ARG A 60 29.555 -12.366 -17.107 1.00 0.00 N ATOM 0 H ARG A 60 32.549 -6.715 -14.164 1.00 0.00 H new ATOM 0 HA ARG A 60 34.676 -8.476 -14.052 1.00 0.00 H new ATOM 0 HB2 ARG A 60 33.129 -7.199 -16.331 1.00 0.00 H new ATOM 0 HB3 ARG A 60 34.364 -8.407 -16.624 1.00 0.00 H new ATOM 0 HG2 ARG A 60 33.182 -10.033 -15.191 1.00 0.00 H new ATOM 0 HG3 ARG A 60 32.000 -8.823 -14.734 1.00 0.00 H new ATOM 0 HD2 ARG A 60 31.232 -8.628 -17.079 1.00 0.00 H new ATOM 0 HD3 ARG A 60 32.484 -9.731 -17.612 1.00 0.00 H new ATOM 0 HE ARG A 60 30.779 -10.886 -15.537 1.00 0.00 H new ATOM 0 HH11 ARG A 60 31.079 -10.263 -19.019 1.00 0.00 H new ATOM 0 HH12 ARG A 60 30.012 -11.601 -19.456 1.00 0.00 H new ATOM 0 HH21 ARG A 60 29.433 -12.600 -16.122 1.00 0.00 H new ATOM 0 HH22 ARG A 60 29.084 -12.917 -17.825 1.00 0.00 H new ATOM 905 N GLY A 61 36.785 -7.577 -15.012 1.00 0.00 N ATOM 906 CA GLY A 61 38.099 -7.004 -15.263 1.00 0.00 C ATOM 907 C GLY A 61 38.725 -6.432 -13.986 1.00 0.00 C ATOM 908 O GLY A 61 39.890 -6.042 -13.995 1.00 0.00 O ATOM 0 H GLY A 61 36.798 -8.586 -14.862 1.00 0.00 H new ATOM 0 HA2 GLY A 61 38.755 -7.769 -15.678 1.00 0.00 H new ATOM 0 HA3 GLY A 61 38.015 -6.216 -16.011 1.00 0.00 H new ATOM 912 N GLY A 62 37.956 -6.385 -12.895 1.00 0.00 N ATOM 913 CA GLY A 62 38.442 -5.906 -11.601 1.00 0.00 C ATOM 914 C GLY A 62 38.650 -4.391 -11.590 1.00 0.00 C ATOM 915 O GLY A 62 39.183 -3.850 -10.623 1.00 0.00 O ATOM 0 H GLY A 62 36.979 -6.678 -12.885 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.729 -6.179 -10.823 1.00 0.00 H new ATOM 0 HA3 GLY A 62 39.382 -6.402 -11.361 1.00 0.00 H new ATOM 919 N GLU A 63 38.238 -3.705 -12.659 1.00 0.00 N ATOM 920 CA GLU A 63 38.404 -2.266 -12.781 1.00 0.00 C ATOM 921 C GLU A 63 37.504 -1.533 -11.784 1.00 0.00 C ATOM 922 O GLU A 63 36.433 -2.026 -11.421 1.00 0.00 O ATOM 923 CB GLU A 63 38.111 -1.850 -14.230 1.00 0.00 C ATOM 924 CG GLU A 63 38.249 -0.340 -14.461 1.00 0.00 C ATOM 925 CD GLU A 63 39.683 0.163 -14.281 1.00 0.00 C ATOM 926 OE1 GLU A 63 40.581 -0.678 -14.046 1.00 0.00 O ATOM 927 OE2 GLU A 63 39.867 1.395 -14.385 1.00 0.00 O ATOM 0 H GLU A 63 37.780 -4.138 -13.461 1.00 0.00 H new ATOM 0 HA GLU A 63 39.431 -1.990 -12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 63 38.792 -2.378 -14.898 1.00 0.00 H new ATOM 0 HB3 GLU A 63 37.100 -2.161 -14.494 1.00 0.00 H new ATOM 0 HG2 GLU A 63 37.909 -0.099 -15.468 1.00 0.00 H new ATOM 0 HG3 GLU A 63 37.594 0.189 -13.769 1.00 0.00 H new ATOM 934 N LYS A 64 37.941 -0.346 -11.340 1.00 0.00 N ATOM 935 CA LYS A 64 37.174 0.483 -10.422 1.00 0.00 C ATOM 936 C LYS A 64 35.816 0.816 -11.036 1.00 0.00 C ATOM 937 O LYS A 64 35.713 1.031 -12.242 1.00 0.00 O ATOM 938 CB LYS A 64 37.977 1.747 -10.109 1.00 0.00 C ATOM 939 CG LYS A 64 37.201 2.676 -9.175 1.00 0.00 C ATOM 940 CD LYS A 64 38.067 3.881 -8.815 1.00 0.00 C ATOM 941 CE LYS A 64 37.276 4.828 -7.914 1.00 0.00 C ATOM 942 NZ LYS A 64 38.077 6.011 -7.551 1.00 0.00 N ATOM 0 H LYS A 64 38.837 0.059 -11.612 1.00 0.00 H new ATOM 0 HA LYS A 64 36.991 -0.051 -9.490 1.00 0.00 H new ATOM 0 HB2 LYS A 64 38.926 1.474 -9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.212 2.271 -11.035 1.00 0.00 H new ATOM 0 HG2 LYS A 64 36.281 3.007 -9.657 1.00 0.00 H new ATOM 0 HG3 LYS A 64 36.912 2.140 -8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 64 38.973 3.552 -8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.380 4.401 -9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 64 36.366 5.144 -8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 64 36.969 4.302 -7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 37.515 6.636 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 38.933 5.708 -7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 38.349 6.524 -8.414 1.00 0.00 H new ATOM 956 N SER A 65 34.771 0.860 -10.203 1.00 0.00 N ATOM 957 CA SER A 65 33.406 0.994 -10.691 1.00 0.00 C ATOM 958 C SER A 65 32.586 1.965 -9.845 1.00 0.00 C ATOM 959 O SER A 65 31.419 1.703 -9.561 1.00 0.00 O ATOM 960 CB SER A 65 32.753 -0.385 -10.744 1.00 0.00 C ATOM 961 OG SER A 65 33.449 -1.208 -11.653 1.00 0.00 O ATOM 0 H SER A 65 34.851 0.804 -9.188 1.00 0.00 H new ATOM 0 HA SER A 65 33.438 1.416 -11.695 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.757 -0.838 -9.753 1.00 0.00 H new ATOM 0 HB3 SER A 65 31.710 -0.292 -11.048 1.00 0.00 H new ATOM 0 HG SER A 65 34.336 -1.417 -11.292 1.00 0.00 H new ATOM 967 N THR A 66 33.186 3.089 -9.439 1.00 0.00 N ATOM 968 CA THR A 66 32.472 4.139 -8.719 1.00 0.00 C ATOM 969 C THR A 66 31.955 5.323 -9.549 1.00 0.00 C ATOM 970 O THR A 66 31.484 6.289 -8.951 1.00 0.00 O ATOM 971 CB THR A 66 33.270 4.637 -7.507 1.00 0.00 C ATOM 972 OG1 THR A 66 34.160 5.652 -7.913 1.00 0.00 O ATOM 973 CG2 THR A 66 34.069 3.527 -6.838 1.00 0.00 C ATOM 0 H THR A 66 34.172 3.292 -9.600 1.00 0.00 H new ATOM 0 HA THR A 66 31.565 3.632 -8.390 1.00 0.00 H new ATOM 0 HB THR A 66 32.549 5.015 -6.783 1.00 0.00 H new ATOM 0 HG1 THR A 66 34.668 5.971 -7.138 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.615 3.934 -5.987 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.390 2.746 -6.494 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.775 3.105 -7.553 1.00 0.00 H new ATOM 981 N PRO A 67 32.016 5.320 -10.896 1.00 0.00 N ATOM 982 CA PRO A 67 31.571 6.467 -11.667 1.00 0.00 C ATOM 983 C PRO A 67 30.051 6.585 -11.569 1.00 0.00 C ATOM 984 O PRO A 67 29.493 7.649 -11.830 1.00 0.00 O ATOM 985 CB PRO A 67 32.029 6.204 -13.101 1.00 0.00 C ATOM 986 CG PRO A 67 32.084 4.687 -13.182 1.00 0.00 C ATOM 987 CD PRO A 67 32.464 4.255 -11.773 1.00 0.00 C ATOM 0 HA PRO A 67 31.984 7.407 -11.302 1.00 0.00 H new ATOM 0 HB2 PRO A 67 31.331 6.620 -13.828 1.00 0.00 H new ATOM 0 HB3 PRO A 67 33.002 6.652 -13.300 1.00 0.00 H new ATOM 0 HG2 PRO A 67 31.123 4.269 -13.482 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.820 4.353 -13.914 1.00 0.00 H new ATOM 0 HD2 PRO A 67 31.989 3.309 -11.513 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.540 4.105 -11.687 1.00 0.00 H new ATOM 995 N VAL A 68 29.382 5.487 -11.191 1.00 0.00 N ATOM 996 CA VAL A 68 27.944 5.486 -10.987 1.00 0.00 C ATOM 997 C VAL A 68 27.585 5.845 -9.552 1.00 0.00 C ATOM 998 O VAL A 68 26.610 6.549 -9.336 1.00 0.00 O ATOM 999 CB VAL A 68 27.338 4.140 -11.397 1.00 0.00 C ATOM 1000 CG1 VAL A 68 27.791 3.761 -12.803 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.741 3.022 -10.432 1.00 0.00 C ATOM 0 H VAL A 68 29.827 4.585 -11.021 1.00 0.00 H new ATOM 0 HA VAL A 68 27.514 6.256 -11.628 1.00 0.00 H new ATOM 0 HB VAL A 68 26.254 4.254 -11.370 1.00 0.00 H new ATOM 0 HG11 VAL A 68 27.353 2.802 -13.081 1.00 0.00 H new ATOM 0 HG12 VAL A 68 27.467 4.526 -13.508 1.00 0.00 H new ATOM 0 HG13 VAL A 68 28.878 3.683 -12.826 1.00 0.00 H new ATOM 0 HG21 VAL A 68 27.292 2.083 -10.755 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.826 2.922 -10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 68 27.392 3.264 -9.428 1.00 0.00 H new ATOM 1011 N ALA A 69 28.356 5.377 -8.565 1.00 0.00 N ATOM 1012 CA ALA A 69 28.035 5.644 -7.169 1.00 0.00 C ATOM 1013 C ALA A 69 28.108 7.147 -6.897 1.00 0.00 C ATOM 1014 O ALA A 69 27.398 7.668 -6.036 1.00 0.00 O ATOM 1015 CB ALA A 69 29.025 4.896 -6.284 1.00 0.00 C ATOM 0 H ALA A 69 29.197 4.818 -8.709 1.00 0.00 H new ATOM 0 HA ALA A 69 27.023 5.303 -6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 69 28.794 5.089 -5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.953 3.826 -6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 69 30.037 5.237 -6.501 1.00 0.00 H new ATOM 1021 N GLU A 70 28.975 7.837 -7.642 1.00 0.00 N ATOM 1022 CA GLU A 70 29.110 9.279 -7.560 1.00 0.00 C ATOM 1023 C GLU A 70 27.942 9.951 -8.280 1.00 0.00 C ATOM 1024 O GLU A 70 27.536 11.055 -7.918 1.00 0.00 O ATOM 1025 CB GLU A 70 30.442 9.675 -8.202 1.00 0.00 C ATOM 1026 CG GLU A 70 31.629 9.061 -7.444 1.00 0.00 C ATOM 1027 CD GLU A 70 31.914 9.776 -6.123 1.00 0.00 C ATOM 1028 OE1 GLU A 70 32.838 9.309 -5.420 1.00 0.00 O ATOM 1029 OE2 GLU A 70 31.218 10.775 -5.821 1.00 0.00 O ATOM 0 H GLU A 70 29.602 7.402 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 70 29.096 9.604 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 70 30.460 9.345 -9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 70 30.536 10.761 -8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 70 31.425 8.009 -7.247 1.00 0.00 H new ATOM 0 HG3 GLU A 70 32.518 9.101 -8.074 1.00 0.00 H new ATOM 1036 N ALA A 71 27.397 9.281 -9.299 1.00 0.00 N ATOM 1037 CA ALA A 71 26.271 9.790 -10.061 1.00 0.00 C ATOM 1038 C ALA A 71 24.950 9.537 -9.328 1.00 0.00 C ATOM 1039 O ALA A 71 24.040 10.361 -9.411 1.00 0.00 O ATOM 1040 CB ALA A 71 26.255 9.124 -11.437 1.00 0.00 C ATOM 0 H ALA A 71 27.730 8.370 -9.613 1.00 0.00 H new ATOM 0 HA ALA A 71 26.381 10.868 -10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 71 25.411 9.502 -12.014 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.184 9.349 -11.961 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.158 8.045 -11.318 1.00 0.00 H new ATOM 1046 N LEU A 72 24.830 8.413 -8.609 1.00 0.00 N ATOM 1047 CA LEU A 72 23.621 8.133 -7.850 1.00 0.00 C ATOM 1048 C LEU A 72 23.508 9.160 -6.723 1.00 0.00 C ATOM 1049 O LEU A 72 22.405 9.587 -6.386 1.00 0.00 O ATOM 1050 CB LEU A 72 23.684 6.710 -7.271 1.00 0.00 C ATOM 1051 CG LEU A 72 23.124 5.617 -8.204 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.631 5.815 -8.439 1.00 0.00 C ATOM 1053 CD2 LEU A 72 23.837 5.546 -9.547 1.00 0.00 C ATOM 0 H LEU A 72 25.551 7.695 -8.542 1.00 0.00 H new ATOM 0 HA LEU A 72 22.747 8.200 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.721 6.473 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 72 23.130 6.688 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 72 23.300 4.672 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 72 21.260 5.032 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 72 21.103 5.766 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 72 21.461 6.789 -8.899 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.393 4.756 -10.153 1.00 0.00 H new ATOM 0 HD22 LEU A 72 23.736 6.501 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 72 24.893 5.330 -9.387 1.00 0.00 H new ATOM 1065 N ALA A 73 24.645 9.558 -6.150 1.00 0.00 N ATOM 1066 CA ALA A 73 24.664 10.553 -5.092 1.00 0.00 C ATOM 1067 C ALA A 73 24.357 11.946 -5.657 1.00 0.00 C ATOM 1068 O ALA A 73 23.805 12.786 -4.950 1.00 0.00 O ATOM 1069 CB ALA A 73 26.036 10.531 -4.418 1.00 0.00 C ATOM 0 H ALA A 73 25.565 9.201 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 73 23.895 10.319 -4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 73 26.062 11.275 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 73 26.219 9.542 -3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.807 10.761 -5.154 1.00 0.00 H new ATOM 1075 N ALA A 74 24.715 12.193 -6.922 1.00 0.00 N ATOM 1076 CA ALA A 74 24.446 13.473 -7.563 1.00 0.00 C ATOM 1077 C ALA A 74 22.967 13.600 -7.924 1.00 0.00 C ATOM 1078 O ALA A 74 22.440 14.708 -7.988 1.00 0.00 O ATOM 1079 CB ALA A 74 25.310 13.586 -8.817 1.00 0.00 C ATOM 0 H ALA A 74 25.193 11.518 -7.519 1.00 0.00 H new ATOM 0 HA ALA A 74 24.689 14.280 -6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 74 25.118 14.541 -9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 74 26.363 13.526 -8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 74 25.067 12.772 -9.501 1.00 0.00 H new ATOM 1085 N ARG A 75 22.302 12.461 -8.160 1.00 0.00 N ATOM 1086 CA ARG A 75 20.881 12.422 -8.481 1.00 0.00 C ATOM 1087 C ARG A 75 20.045 12.284 -7.211 1.00 0.00 C ATOM 1088 O ARG A 75 18.822 12.174 -7.283 1.00 0.00 O ATOM 1089 CB ARG A 75 20.615 11.262 -9.452 1.00 0.00 C ATOM 1090 CG ARG A 75 21.396 11.457 -10.755 1.00 0.00 C ATOM 1091 CD ARG A 75 21.388 10.158 -11.559 1.00 0.00 C ATOM 1092 NE ARG A 75 22.288 10.245 -12.716 1.00 0.00 N ATOM 1093 CZ ARG A 75 21.886 10.413 -13.981 1.00 0.00 C ATOM 1094 NH1 ARG A 75 20.593 10.532 -14.277 1.00 0.00 N ATOM 1095 NH2 ARG A 75 22.788 10.464 -14.953 1.00 0.00 N ATOM 0 H ARG A 75 22.742 11.541 -8.132 1.00 0.00 H new ATOM 0 HA ARG A 75 20.591 13.357 -8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.903 10.319 -8.987 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.548 11.199 -9.667 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.950 12.261 -11.341 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.422 11.753 -10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.692 9.329 -10.920 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.375 9.943 -11.898 1.00 0.00 H new ATOM 0 HE ARG A 75 23.291 10.172 -12.543 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.894 10.496 -13.535 1.00 0.00 H new ATOM 0 HH12 ARG A 75 20.301 10.660 -15.246 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.780 10.375 -14.733 1.00 0.00 H new ATOM 0 HH22 ARG A 75 22.489 10.592 -15.920 1.00 0.00 H new ATOM 1109 N ASP A 76 20.707 12.290 -6.048 1.00 0.00 N ATOM 1110 CA ASP A 76 20.077 12.113 -4.743 1.00 0.00 C ATOM 1111 C ASP A 76 19.322 10.774 -4.658 1.00 0.00 C ATOM 1112 O ASP A 76 18.432 10.604 -3.827 1.00 0.00 O ATOM 1113 CB ASP A 76 19.191 13.324 -4.428 1.00 0.00 C ATOM 1114 CG ASP A 76 18.608 13.280 -3.015 1.00 0.00 C ATOM 1115 OD1 ASP A 76 19.255 12.666 -2.135 1.00 0.00 O ATOM 1116 OD2 ASP A 76 17.514 13.860 -2.833 1.00 0.00 O ATOM 0 H ASP A 76 21.717 12.421 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 76 20.849 12.063 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.775 14.237 -4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.377 13.370 -5.151 1.00 0.00 H new ATOM 1121 N ILE A 77 19.681 9.824 -5.528 1.00 0.00 N ATOM 1122 CA ILE A 77 19.102 8.489 -5.516 1.00 0.00 C ATOM 1123 C ILE A 77 19.885 7.605 -4.539 1.00 0.00 C ATOM 1124 O ILE A 77 21.112 7.649 -4.535 1.00 0.00 O ATOM 1125 CB ILE A 77 19.145 7.899 -6.928 1.00 0.00 C ATOM 1126 CG1 ILE A 77 18.505 8.873 -7.926 1.00 0.00 C ATOM 1127 CG2 ILE A 77 18.423 6.551 -6.953 1.00 0.00 C ATOM 1128 CD1 ILE A 77 18.444 8.290 -9.338 1.00 0.00 C ATOM 0 H ILE A 77 20.381 9.965 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 77 18.063 8.539 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 77 20.184 7.742 -7.217 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.498 9.123 -7.593 1.00 0.00 H new ATOM 0 HG13 ILE A 77 19.075 9.802 -7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.458 6.138 -7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 77 18.911 5.864 -6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 77 17.384 6.689 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 77 17.984 9.014 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.453 8.065 -9.683 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.851 7.375 -9.329 1.00 0.00 H new ATOM 1140 N PRO A 78 19.205 6.802 -3.710 1.00 0.00 N ATOM 1141 CA PRO A 78 19.847 5.872 -2.797 1.00 0.00 C ATOM 1142 C PRO A 78 20.627 4.793 -3.551 1.00 0.00 C ATOM 1143 O PRO A 78 20.280 4.438 -4.677 1.00 0.00 O ATOM 1144 CB PRO A 78 18.723 5.253 -1.962 1.00 0.00 C ATOM 1145 CG PRO A 78 17.510 6.152 -2.200 1.00 0.00 C ATOM 1146 CD PRO A 78 17.766 6.758 -3.573 1.00 0.00 C ATOM 0 HA PRO A 78 20.575 6.385 -2.168 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.521 4.228 -2.271 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.989 5.221 -0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.581 5.582 -2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.427 6.922 -1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.315 6.154 -4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 78 17.333 7.755 -3.649 1.00 0.00 H new ATOM 1154 N PHE A 79 21.681 4.268 -2.924 1.00 0.00 N ATOM 1155 CA PHE A 79 22.496 3.219 -3.513 1.00 0.00 C ATOM 1156 C PHE A 79 23.009 2.218 -2.477 1.00 0.00 C ATOM 1157 O PHE A 79 23.356 2.602 -1.362 1.00 0.00 O ATOM 1158 CB PHE A 79 23.641 3.838 -4.322 1.00 0.00 C ATOM 1159 CG PHE A 79 24.417 4.906 -3.577 1.00 0.00 C ATOM 1160 CD1 PHE A 79 25.565 4.561 -2.850 1.00 0.00 C ATOM 1161 CD2 PHE A 79 23.993 6.241 -3.619 1.00 0.00 C ATOM 1162 CE1 PHE A 79 26.281 5.551 -2.160 1.00 0.00 C ATOM 1163 CE2 PHE A 79 24.707 7.231 -2.934 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.855 6.886 -2.201 1.00 0.00 C ATOM 0 H PHE A 79 21.988 4.561 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 79 21.861 2.646 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 79 24.328 3.047 -4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 79 23.234 4.271 -5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 79 25.898 3.534 -2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 79 23.111 6.507 -4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 79 27.162 5.284 -1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 79 24.376 8.258 -2.969 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.408 7.647 -1.671 1.00 0.00 H new ATOM 1174 N VAL A 80 23.057 0.935 -2.851 1.00 0.00 N ATOM 1175 CA VAL A 80 23.606 -0.123 -2.005 1.00 0.00 C ATOM 1176 C VAL A 80 24.909 -0.627 -2.612 1.00 0.00 C ATOM 1177 O VAL A 80 25.079 -0.587 -3.830 1.00 0.00 O ATOM 1178 CB VAL A 80 22.612 -1.290 -1.877 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.184 -2.390 -0.981 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.296 -0.853 -1.256 1.00 0.00 C ATOM 0 H VAL A 80 22.714 0.603 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 80 23.791 0.284 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 80 22.441 -1.654 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.466 -3.206 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.113 -2.764 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.382 -1.985 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.625 -1.709 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.479 -0.452 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.838 -0.084 -1.878 1.00 0.00 H new ATOM 1190 N PHE A 81 25.824 -1.102 -1.769 1.00 0.00 N ATOM 1191 CA PHE A 81 27.018 -1.783 -2.237 1.00 0.00 C ATOM 1192 C PHE A 81 26.953 -3.300 -2.106 1.00 0.00 C ATOM 1193 O PHE A 81 26.228 -3.819 -1.257 1.00 0.00 O ATOM 1194 CB PHE A 81 28.278 -1.185 -1.618 1.00 0.00 C ATOM 1195 CG PHE A 81 28.698 0.113 -2.272 1.00 0.00 C ATOM 1196 CD1 PHE A 81 29.516 0.090 -3.411 1.00 0.00 C ATOM 1197 CD2 PHE A 81 28.271 1.339 -1.740 1.00 0.00 C ATOM 1198 CE1 PHE A 81 29.936 1.291 -3.996 1.00 0.00 C ATOM 1199 CE2 PHE A 81 28.677 2.539 -2.339 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.517 2.518 -3.459 1.00 0.00 C ATOM 0 H PHE A 81 25.756 -1.024 -0.754 1.00 0.00 H new ATOM 0 HA PHE A 81 27.070 -1.606 -3.311 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.107 -1.012 -0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 81 29.092 -1.905 -1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 81 29.822 -0.854 -3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 81 27.631 1.358 -0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 81 30.583 1.273 -4.861 1.00 0.00 H new ATOM 0 HE2 PHE A 81 28.341 3.483 -1.936 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.842 3.445 -3.909 1.00 0.00 H new ATOM 1210 N ALA A 82 27.709 -4.014 -2.938 1.00 0.00 N ATOM 1211 CA ALA A 82 27.784 -5.459 -2.879 1.00 0.00 C ATOM 1212 C ALA A 82 29.244 -5.873 -2.756 1.00 0.00 C ATOM 1213 O ALA A 82 30.094 -5.402 -3.509 1.00 0.00 O ATOM 1214 CB ALA A 82 27.124 -6.064 -4.115 1.00 0.00 C ATOM 0 H ALA A 82 28.285 -3.599 -3.671 1.00 0.00 H new ATOM 0 HA ALA A 82 27.246 -5.832 -2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.184 -7.151 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 82 26.078 -5.760 -4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.638 -5.714 -5.010 1.00 0.00 H new ATOM 1220 N THR A 83 29.533 -6.757 -1.802 1.00 0.00 N ATOM 1221 CA THR A 83 30.895 -7.174 -1.500 1.00 0.00 C ATOM 1222 C THR A 83 31.013 -8.670 -1.232 1.00 0.00 C ATOM 1223 O THR A 83 30.019 -9.393 -1.229 1.00 0.00 O ATOM 1224 CB THR A 83 31.478 -6.339 -0.349 1.00 0.00 C ATOM 1225 OG1 THR A 83 31.018 -6.832 0.883 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.097 -4.864 -0.466 1.00 0.00 C ATOM 0 H THR A 83 28.826 -7.203 -1.218 1.00 0.00 H new ATOM 0 HA THR A 83 31.491 -6.985 -2.393 1.00 0.00 H new ATOM 0 HB THR A 83 32.563 -6.420 -0.408 1.00 0.00 H new ATOM 0 HG1 THR A 83 31.395 -6.296 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.529 -4.309 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 83 31.478 -4.463 -1.405 1.00 0.00 H new ATOM 0 HG23 THR A 83 30.012 -4.766 -0.443 1.00 0.00 H new ATOM 1234 N GLY A 84 32.243 -9.136 -1.002 1.00 0.00 N ATOM 1235 CA GLY A 84 32.514 -10.535 -0.727 1.00 0.00 C ATOM 1236 C GLY A 84 33.441 -10.674 0.477 1.00 0.00 C ATOM 1237 O GLY A 84 33.555 -9.757 1.287 1.00 0.00 O ATOM 0 H GLY A 84 33.075 -8.547 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 84 31.579 -11.062 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.970 -11.001 -1.600 1.00 0.00 H new ATOM 1241 N GLY A 85 34.107 -11.827 0.586 1.00 0.00 N ATOM 1242 CA GLY A 85 35.004 -12.116 1.698 1.00 0.00 C ATOM 1243 C GLY A 85 36.305 -11.313 1.622 1.00 0.00 C ATOM 1244 O GLY A 85 37.127 -11.392 2.532 1.00 0.00 O ATOM 0 H GLY A 85 34.037 -12.583 -0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 85 34.497 -11.894 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 85 35.237 -13.181 1.706 1.00 0.00 H new ATOM 1248 N SER A 86 36.497 -10.544 0.547 1.00 0.00 N ATOM 1249 CA SER A 86 37.692 -9.725 0.374 1.00 0.00 C ATOM 1250 C SER A 86 37.395 -8.462 -0.441 1.00 0.00 C ATOM 1251 O SER A 86 38.219 -7.552 -0.489 1.00 0.00 O ATOM 1252 CB SER A 86 38.775 -10.559 -0.313 1.00 0.00 C ATOM 1253 OG SER A 86 38.346 -10.957 -1.598 1.00 0.00 O ATOM 0 H SER A 86 35.831 -10.474 -0.222 1.00 0.00 H new ATOM 0 HA SER A 86 38.039 -9.404 1.356 1.00 0.00 H new ATOM 0 HB2 SER A 86 39.694 -9.979 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 86 39.004 -11.438 0.290 1.00 0.00 H new ATOM 0 HG SER A 86 39.049 -11.488 -2.027 1.00 0.00 H new ATOM 1259 N ASP A 87 36.220 -8.400 -1.079 1.00 0.00 N ATOM 1260 CA ASP A 87 35.808 -7.226 -1.840 1.00 0.00 C ATOM 1261 C ASP A 87 35.126 -6.173 -0.973 1.00 0.00 C ATOM 1262 O ASP A 87 34.599 -5.188 -1.487 1.00 0.00 O ATOM 1263 CB ASP A 87 34.931 -7.635 -3.027 1.00 0.00 C ATOM 1264 CG ASP A 87 35.714 -8.400 -4.094 1.00 0.00 C ATOM 1265 OD1 ASP A 87 35.083 -8.742 -5.117 1.00 0.00 O ATOM 1266 OD2 ASP A 87 36.924 -8.636 -3.879 1.00 0.00 O ATOM 0 H ASP A 87 35.537 -9.158 -1.080 1.00 0.00 H new ATOM 0 HA ASP A 87 36.713 -6.758 -2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 87 34.108 -8.254 -2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 87 34.490 -6.744 -3.473 1.00 0.00 H new ATOM 1271 N ASP A 88 35.131 -6.375 0.348 1.00 0.00 N ATOM 1272 CA ASP A 88 34.508 -5.452 1.294 1.00 0.00 C ATOM 1273 C ASP A 88 35.325 -4.171 1.490 1.00 0.00 C ATOM 1274 O ASP A 88 35.061 -3.401 2.414 1.00 0.00 O ATOM 1275 CB ASP A 88 34.209 -6.157 2.625 1.00 0.00 C ATOM 1276 CG ASP A 88 35.430 -6.854 3.229 1.00 0.00 C ATOM 1277 OD1 ASP A 88 36.543 -6.674 2.684 1.00 0.00 O ATOM 1278 OD2 ASP A 88 35.233 -7.562 4.243 1.00 0.00 O ATOM 0 H ASP A 88 35.568 -7.184 0.789 1.00 0.00 H new ATOM 0 HA ASP A 88 33.558 -5.136 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 88 33.827 -5.426 3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.420 -6.892 2.469 1.00 0.00 H new ATOM 1283 N SER A 89 36.313 -3.945 0.619 1.00 0.00 N ATOM 1284 CA SER A 89 37.158 -2.758 0.650 1.00 0.00 C ATOM 1285 C SER A 89 36.442 -1.554 0.027 1.00 0.00 C ATOM 1286 O SER A 89 37.082 -0.688 -0.567 1.00 0.00 O ATOM 1287 CB SER A 89 38.482 -3.060 -0.062 1.00 0.00 C ATOM 1288 OG SER A 89 39.372 -1.975 0.069 1.00 0.00 O ATOM 0 H SER A 89 36.547 -4.592 -0.134 1.00 0.00 H new ATOM 0 HA SER A 89 37.371 -2.495 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 89 38.931 -3.959 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 89 38.297 -3.261 -1.117 1.00 0.00 H new ATOM 0 HG SER A 89 38.899 -1.139 -0.122 1.00 0.00 H new ATOM 1294 N VAL A 90 35.111 -1.501 0.154 1.00 0.00 N ATOM 1295 CA VAL A 90 34.313 -0.394 -0.360 1.00 0.00 C ATOM 1296 C VAL A 90 34.802 0.909 0.276 1.00 0.00 C ATOM 1297 O VAL A 90 35.248 0.918 1.423 1.00 0.00 O ATOM 1298 CB VAL A 90 32.825 -0.650 -0.063 1.00 0.00 C ATOM 1299 CG1 VAL A 90 32.593 -1.012 1.401 1.00 0.00 C ATOM 1300 CG2 VAL A 90 31.977 0.578 -0.386 1.00 0.00 C ATOM 0 H VAL A 90 34.562 -2.226 0.616 1.00 0.00 H new ATOM 0 HA VAL A 90 34.426 -0.311 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 90 32.529 -1.487 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 90 31.530 -1.185 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 90 33.151 -1.916 1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 90 32.932 -0.194 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 90 30.931 0.366 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 90 32.312 1.421 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.082 0.825 -1.442 1.00 0.00 H new ATOM 1310 N ASP A 91 34.722 2.007 -0.480 1.00 0.00 N ATOM 1311 CA ASP A 91 35.252 3.299 -0.061 1.00 0.00 C ATOM 1312 C ASP A 91 34.604 3.743 1.254 1.00 0.00 C ATOM 1313 O ASP A 91 33.390 3.641 1.418 1.00 0.00 O ATOM 1314 CB ASP A 91 35.005 4.313 -1.184 1.00 0.00 C ATOM 1315 CG ASP A 91 35.569 5.701 -0.883 1.00 0.00 C ATOM 1316 OD1 ASP A 91 35.318 6.608 -1.708 1.00 0.00 O ATOM 1317 OD2 ASP A 91 36.243 5.847 0.161 1.00 0.00 O ATOM 0 H ASP A 91 34.286 2.021 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 91 36.324 3.225 0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 91 35.452 3.939 -2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 91 33.932 4.395 -1.360 1.00 0.00 H new ATOM 1322 N SER A 92 35.421 4.238 2.188 1.00 0.00 N ATOM 1323 CA SER A 92 34.954 4.661 3.499 1.00 0.00 C ATOM 1324 C SER A 92 34.005 5.853 3.393 1.00 0.00 C ATOM 1325 O SER A 92 33.290 6.157 4.345 1.00 0.00 O ATOM 1326 CB SER A 92 36.153 5.020 4.377 1.00 0.00 C ATOM 1327 OG SER A 92 36.959 3.876 4.572 1.00 0.00 O ATOM 0 H SER A 92 36.425 4.354 2.050 1.00 0.00 H new ATOM 0 HA SER A 92 34.403 3.836 3.950 1.00 0.00 H new ATOM 0 HB2 SER A 92 36.736 5.812 3.907 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.811 5.404 5.338 1.00 0.00 H new ATOM 0 HG SER A 92 37.728 4.109 5.134 1.00 0.00 H new ATOM 1333 N ARG A 93 33.991 6.528 2.240 1.00 0.00 N ATOM 1334 CA ARG A 93 33.078 7.641 1.997 1.00 0.00 C ATOM 1335 C ARG A 93 31.643 7.135 1.835 1.00 0.00 C ATOM 1336 O ARG A 93 30.697 7.918 1.886 1.00 0.00 O ATOM 1337 CB ARG A 93 33.541 8.408 0.756 1.00 0.00 C ATOM 1338 CG ARG A 93 32.636 9.606 0.471 1.00 0.00 C ATOM 1339 CD ARG A 93 33.245 10.464 -0.634 1.00 0.00 C ATOM 1340 NE ARG A 93 32.381 11.608 -0.948 1.00 0.00 N ATOM 1341 CZ ARG A 93 31.835 11.832 -2.147 1.00 0.00 C ATOM 1342 NH1 ARG A 93 32.053 10.996 -3.159 1.00 0.00 N ATOM 1343 NH2 ARG A 93 31.062 12.896 -2.336 1.00 0.00 N ATOM 0 H ARG A 93 34.609 6.318 1.456 1.00 0.00 H new ATOM 0 HA ARG A 93 33.089 8.316 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 93 34.566 8.750 0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 93 33.545 7.740 -0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 93 31.646 9.262 0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 93 32.508 10.200 1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 93 34.227 10.820 -0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 93 33.393 9.859 -1.529 1.00 0.00 H new ATOM 0 HE ARG A 93 32.184 12.276 -0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 93 32.642 10.174 -3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 93 31.631 11.177 -4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 93 30.886 13.541 -1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 93 30.645 13.067 -3.251 1.00 0.00 H new ATOM 1357 N PHE A 94 31.477 5.821 1.639 1.00 0.00 N ATOM 1358 CA PHE A 94 30.166 5.214 1.452 1.00 0.00 C ATOM 1359 C PHE A 94 29.921 4.106 2.471 1.00 0.00 C ATOM 1360 O PHE A 94 28.939 3.372 2.356 1.00 0.00 O ATOM 1361 CB PHE A 94 30.046 4.680 0.026 1.00 0.00 C ATOM 1362 CG PHE A 94 30.269 5.724 -1.043 1.00 0.00 C ATOM 1363 CD1 PHE A 94 31.333 5.584 -1.946 1.00 0.00 C ATOM 1364 CD2 PHE A 94 29.418 6.834 -1.132 1.00 0.00 C ATOM 1365 CE1 PHE A 94 31.543 6.553 -2.937 1.00 0.00 C ATOM 1366 CE2 PHE A 94 29.626 7.802 -2.121 1.00 0.00 C ATOM 1367 CZ PHE A 94 30.689 7.662 -3.024 1.00 0.00 C ATOM 0 H PHE A 94 32.249 5.156 1.607 1.00 0.00 H new ATOM 0 HA PHE A 94 29.403 5.976 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 94 30.768 3.875 -0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.055 4.246 -0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 94 31.990 4.730 -1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 94 28.600 6.943 -0.436 1.00 0.00 H new ATOM 0 HE1 PHE A 94 32.362 6.446 -3.633 1.00 0.00 H new ATOM 0 HE2 PHE A 94 28.968 8.656 -2.188 1.00 0.00 H new ATOM 0 HZ PHE A 94 30.850 8.409 -3.787 1.00 0.00 H new ATOM 1377 N ARG A 95 30.801 3.973 3.469 1.00 0.00 N ATOM 1378 CA ARG A 95 30.626 2.984 4.527 1.00 0.00 C ATOM 1379 C ARG A 95 29.406 3.318 5.394 1.00 0.00 C ATOM 1380 O ARG A 95 28.948 2.475 6.163 1.00 0.00 O ATOM 1381 CB ARG A 95 31.901 2.910 5.376 1.00 0.00 C ATOM 1382 CG ARG A 95 32.887 1.882 4.815 1.00 0.00 C ATOM 1383 CD ARG A 95 32.371 0.463 5.056 1.00 0.00 C ATOM 1384 NE ARG A 95 33.342 -0.541 4.603 1.00 0.00 N ATOM 1385 CZ ARG A 95 34.372 -0.969 5.343 1.00 0.00 C ATOM 1386 NH1 ARG A 95 34.578 -0.476 6.563 1.00 0.00 N ATOM 1387 NH2 ARG A 95 35.195 -1.895 4.861 1.00 0.00 N ATOM 0 H ARG A 95 31.643 4.542 3.562 1.00 0.00 H new ATOM 0 HA ARG A 95 30.447 2.009 4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 95 32.375 3.891 5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 95 31.642 2.646 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 95 33.027 2.048 3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 95 33.861 2.007 5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 95 32.168 0.323 6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 95 31.427 0.323 4.530 1.00 0.00 H new ATOM 0 HE ARG A 95 33.225 -0.935 3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 95 33.949 0.233 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 95 35.365 -0.807 7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 95 35.041 -2.278 3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 95 35.980 -2.222 5.424 1.00 0.00 H new ATOM 1401 N ASP A 96 28.880 4.541 5.270 1.00 0.00 N ATOM 1402 CA ASP A 96 27.658 4.941 5.965 1.00 0.00 C ATOM 1403 C ASP A 96 26.412 4.381 5.278 1.00 0.00 C ATOM 1404 O ASP A 96 25.356 4.276 5.902 1.00 0.00 O ATOM 1405 CB ASP A 96 27.586 6.468 6.059 1.00 0.00 C ATOM 1406 CG ASP A 96 28.694 7.055 6.939 1.00 0.00 C ATOM 1407 OD1 ASP A 96 29.443 6.258 7.548 1.00 0.00 O ATOM 1408 OD2 ASP A 96 28.778 8.301 6.987 1.00 0.00 O ATOM 0 H ASP A 96 29.287 5.274 4.689 1.00 0.00 H new ATOM 0 HA ASP A 96 27.688 4.525 6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 96 27.657 6.894 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.615 6.759 6.461 1.00 0.00 H new ATOM 1413 N ARG A 97 26.534 4.024 3.994 1.00 0.00 N ATOM 1414 CA ARG A 97 25.464 3.388 3.238 1.00 0.00 C ATOM 1415 C ARG A 97 25.461 1.887 3.512 1.00 0.00 C ATOM 1416 O ARG A 97 26.486 1.341 3.922 1.00 0.00 O ATOM 1417 CB ARG A 97 25.638 3.701 1.746 1.00 0.00 C ATOM 1418 CG ARG A 97 25.132 5.110 1.424 1.00 0.00 C ATOM 1419 CD ARG A 97 23.606 5.163 1.497 1.00 0.00 C ATOM 1420 NE ARG A 97 23.114 6.529 1.287 1.00 0.00 N ATOM 1421 CZ ARG A 97 22.253 7.146 2.102 1.00 0.00 C ATOM 1422 NH1 ARG A 97 21.786 6.538 3.192 1.00 0.00 N ATOM 1423 NH2 ARG A 97 21.850 8.383 1.832 1.00 0.00 N ATOM 0 H ARG A 97 27.386 4.172 3.453 1.00 0.00 H new ATOM 0 HA ARG A 97 24.496 3.780 3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 97 26.690 3.616 1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.093 2.969 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 97 25.560 5.825 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 97 25.464 5.403 0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 97 23.180 4.500 0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 97 23.272 4.798 2.469 1.00 0.00 H new ATOM 0 HE ARG A 97 23.449 7.039 0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 97 22.085 5.589 3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.129 7.022 3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 97 22.198 8.863 1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.193 8.853 2.455 1.00 0.00 H new ATOM 1437 N PRO A 98 24.322 1.211 3.296 1.00 0.00 N ATOM 1438 CA PRO A 98 24.194 -0.212 3.551 1.00 0.00 C ATOM 1439 C PRO A 98 25.010 -0.996 2.534 1.00 0.00 C ATOM 1440 O PRO A 98 25.343 -0.484 1.466 1.00 0.00 O ATOM 1441 CB PRO A 98 22.705 -0.521 3.413 1.00 0.00 C ATOM 1442 CG PRO A 98 22.207 0.562 2.458 1.00 0.00 C ATOM 1443 CD PRO A 98 23.089 1.765 2.775 1.00 0.00 C ATOM 0 HA PRO A 98 24.564 -0.490 4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.537 -1.520 3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.194 -0.475 4.375 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.310 0.255 1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.153 0.785 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.273 2.363 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 98 22.613 2.420 3.505 1.00 0.00 H new ATOM 1451 N VAL A 99 25.335 -2.248 2.861 1.00 0.00 N ATOM 1452 CA VAL A 99 26.110 -3.092 1.971 1.00 0.00 C ATOM 1453 C VAL A 99 25.685 -4.540 2.145 1.00 0.00 C ATOM 1454 O VAL A 99 25.674 -5.076 3.253 1.00 0.00 O ATOM 1455 CB VAL A 99 27.604 -2.898 2.261 1.00 0.00 C ATOM 1456 CG1 VAL A 99 27.936 -3.066 3.745 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.439 -3.907 1.474 1.00 0.00 C ATOM 0 H VAL A 99 25.070 -2.694 3.739 1.00 0.00 H new ATOM 0 HA VAL A 99 25.929 -2.815 0.933 1.00 0.00 H new ATOM 0 HB VAL A 99 27.843 -1.878 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.005 -2.919 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.382 -2.330 4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.658 -4.069 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.496 -3.754 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.152 -4.919 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.266 -3.769 0.407 1.00 0.00 H new ATOM 1467 N LEU A 100 25.333 -5.171 1.027 1.00 0.00 N ATOM 1468 CA LEU A 100 25.095 -6.601 0.976 1.00 0.00 C ATOM 1469 C LEU A 100 26.423 -7.312 0.709 1.00 0.00 C ATOM 1470 O LEU A 100 27.338 -6.723 0.133 1.00 0.00 O ATOM 1471 CB LEU A 100 24.053 -6.914 -0.103 1.00 0.00 C ATOM 1472 CG LEU A 100 22.702 -6.254 0.204 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.737 -6.544 -0.942 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.105 -6.819 1.494 1.00 0.00 C ATOM 0 H LEU A 100 25.206 -4.699 0.132 1.00 0.00 H new ATOM 0 HA LEU A 100 24.698 -6.958 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.416 -6.567 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 100 23.922 -7.993 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 100 22.856 -5.181 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.774 -6.079 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.142 -6.139 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.605 -7.621 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.148 -6.338 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 100 21.955 -7.893 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.786 -6.629 2.324 1.00 0.00 H new ATOM 1486 N GLN A 101 26.536 -8.573 1.128 1.00 0.00 N ATOM 1487 CA GLN A 101 27.797 -9.297 1.073 1.00 0.00 C ATOM 1488 C GLN A 101 27.542 -10.739 0.626 1.00 0.00 C ATOM 1489 O GLN A 101 26.961 -10.964 -0.438 1.00 0.00 O ATOM 1490 CB GLN A 101 28.467 -9.190 2.451 1.00 0.00 C ATOM 1491 CG GLN A 101 29.953 -9.558 2.390 1.00 0.00 C ATOM 1492 CD GLN A 101 30.675 -9.177 3.675 1.00 0.00 C ATOM 1493 OE1 GLN A 101 30.060 -9.021 4.723 1.00 0.00 O ATOM 1494 NE2 GLN A 101 31.996 -9.024 3.597 1.00 0.00 N ATOM 0 H GLN A 101 25.760 -9.113 1.511 1.00 0.00 H new ATOM 0 HA GLN A 101 28.479 -8.869 0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 101 28.359 -8.174 2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 101 27.958 -9.848 3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 101 30.057 -10.629 2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 101 30.420 -9.052 1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 101 32.474 -9.162 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 101 32.530 -8.769 4.428 1.00 0.00 H new ATOM 1503 N LYS A 102 27.971 -11.715 1.436 1.00 0.00 N ATOM 1504 CA LYS A 102 27.678 -13.127 1.221 1.00 0.00 C ATOM 1505 C LYS A 102 26.161 -13.344 1.105 1.00 0.00 C ATOM 1506 O LYS A 102 25.394 -12.446 1.452 1.00 0.00 O ATOM 1507 CB LYS A 102 28.316 -13.954 2.354 1.00 0.00 C ATOM 1508 CG LYS A 102 28.084 -13.379 3.760 1.00 0.00 C ATOM 1509 CD LYS A 102 26.612 -13.437 4.186 1.00 0.00 C ATOM 1510 CE LYS A 102 26.456 -13.038 5.656 1.00 0.00 C ATOM 1511 NZ LYS A 102 27.191 -13.953 6.552 1.00 0.00 N ATOM 0 H LYS A 102 28.537 -11.539 2.266 1.00 0.00 H new ATOM 0 HA LYS A 102 28.112 -13.466 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.917 -14.968 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.389 -14.027 2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.688 -13.932 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 102 28.425 -12.344 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 102 26.021 -12.770 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 102 26.224 -14.444 4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 102 26.820 -12.020 5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 102 25.399 -13.039 5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 26.808 -13.877 7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 27.084 -14.930 6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 28.199 -13.697 6.559 1.00 0.00 H new ATOM 1525 N PRO A 103 25.713 -14.511 0.621 1.00 0.00 N ATOM 1526 CA PRO A 103 24.301 -14.801 0.440 1.00 0.00 C ATOM 1527 C PRO A 103 23.486 -14.404 1.667 1.00 0.00 C ATOM 1528 O PRO A 103 23.926 -14.593 2.803 1.00 0.00 O ATOM 1529 CB PRO A 103 24.221 -16.295 0.133 1.00 0.00 C ATOM 1530 CG PRO A 103 25.577 -16.590 -0.508 1.00 0.00 C ATOM 1531 CD PRO A 103 26.531 -15.629 0.198 1.00 0.00 C ATOM 0 HA PRO A 103 23.869 -14.220 -0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.065 -16.884 1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.397 -16.524 -0.543 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.872 -17.629 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.557 -16.416 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 103 27.011 -16.109 1.051 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.326 -15.302 -0.473 1.00 0.00 H new ATOM 1539 N PHE A 104 22.296 -13.852 1.425 1.00 0.00 N ATOM 1540 CA PHE A 104 21.490 -13.215 2.455 1.00 0.00 C ATOM 1541 C PHE A 104 20.050 -13.709 2.524 1.00 0.00 C ATOM 1542 O PHE A 104 19.486 -14.157 1.526 1.00 0.00 O ATOM 1543 CB PHE A 104 21.588 -11.692 2.336 1.00 0.00 C ATOM 1544 CG PHE A 104 21.788 -11.225 0.911 1.00 0.00 C ATOM 1545 CD1 PHE A 104 20.737 -11.290 -0.012 1.00 0.00 C ATOM 1546 CD2 PHE A 104 23.042 -10.744 0.508 1.00 0.00 C ATOM 1547 CE1 PHE A 104 20.944 -10.893 -1.342 1.00 0.00 C ATOM 1548 CE2 PHE A 104 23.252 -10.361 -0.825 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.204 -10.434 -1.748 1.00 0.00 C ATOM 0 H PHE A 104 21.866 -13.837 0.500 1.00 0.00 H new ATOM 0 HA PHE A 104 21.913 -13.516 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.680 -11.242 2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.416 -11.337 2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 104 19.766 -11.646 0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 104 23.847 -10.668 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 104 20.132 -10.941 -2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 104 24.224 -10.009 -1.139 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.366 -10.137 -2.774 1.00 0.00 H new ATOM 1559 N THR A 105 19.457 -13.624 3.718 1.00 0.00 N ATOM 1560 CA THR A 105 18.068 -14.001 3.941 1.00 0.00 C ATOM 1561 C THR A 105 17.082 -12.937 3.472 1.00 0.00 C ATOM 1562 O THR A 105 17.478 -11.833 3.096 1.00 0.00 O ATOM 1563 CB THR A 105 17.827 -14.387 5.405 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.512 -13.233 6.149 1.00 0.00 O ATOM 1565 CG2 THR A 105 19.050 -15.061 6.027 1.00 0.00 C ATOM 0 H THR A 105 19.932 -13.290 4.556 1.00 0.00 H new ATOM 0 HA THR A 105 17.881 -14.880 3.325 1.00 0.00 H new ATOM 0 HB THR A 105 17.000 -15.097 5.427 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.356 -13.479 7.085 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.836 -15.318 7.064 1.00 0.00 H new ATOM 0 HG22 THR A 105 19.288 -15.968 5.471 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.899 -14.379 5.990 1.00 0.00 H new ATOM 1573 N MET A 106 15.794 -13.276 3.496 1.00 0.00 N ATOM 1574 CA MET A 106 14.736 -12.348 3.125 1.00 0.00 C ATOM 1575 C MET A 106 14.751 -11.162 4.098 1.00 0.00 C ATOM 1576 O MET A 106 14.378 -10.049 3.739 1.00 0.00 O ATOM 1577 CB MET A 106 13.405 -13.104 3.186 1.00 0.00 C ATOM 1578 CG MET A 106 12.362 -12.586 2.186 1.00 0.00 C ATOM 1579 SD MET A 106 11.839 -10.866 2.401 1.00 0.00 S ATOM 1580 CE MET A 106 12.878 -10.099 1.130 1.00 0.00 C ATOM 0 H MET A 106 15.459 -14.199 3.773 1.00 0.00 H new ATOM 0 HA MET A 106 14.879 -11.959 2.117 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.587 -14.161 2.994 1.00 0.00 H new ATOM 0 HB3 MET A 106 12.999 -13.029 4.195 1.00 0.00 H new ATOM 0 HG2 MET A 106 12.766 -12.699 1.180 1.00 0.00 H new ATOM 0 HG3 MET A 106 11.480 -13.223 2.249 1.00 0.00 H new ATOM 0 HE1 MET A 106 13.032 -9.047 1.372 1.00 0.00 H new ATOM 0 HE2 MET A 106 13.841 -10.607 1.092 1.00 0.00 H new ATOM 0 HE3 MET A 106 12.386 -10.180 0.161 1.00 0.00 H new ATOM 1590 N ASP A 107 15.190 -11.399 5.340 1.00 0.00 N ATOM 1591 CA ASP A 107 15.271 -10.352 6.347 1.00 0.00 C ATOM 1592 C ASP A 107 16.581 -9.579 6.162 1.00 0.00 C ATOM 1593 O ASP A 107 16.685 -8.427 6.579 1.00 0.00 O ATOM 1594 CB ASP A 107 15.249 -11.018 7.721 1.00 0.00 C ATOM 1595 CG ASP A 107 15.055 -10.012 8.856 1.00 0.00 C ATOM 1596 OD1 ASP A 107 14.570 -8.894 8.569 1.00 0.00 O ATOM 1597 OD2 ASP A 107 15.393 -10.376 10.007 1.00 0.00 O ATOM 0 H ASP A 107 15.495 -12.316 5.666 1.00 0.00 H new ATOM 0 HA ASP A 107 14.435 -9.658 6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.446 -11.755 7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.183 -11.558 7.874 1.00 0.00 H new ATOM 1602 N GLY A 108 17.584 -10.205 5.537 1.00 0.00 N ATOM 1603 CA GLY A 108 18.895 -9.601 5.363 1.00 0.00 C ATOM 1604 C GLY A 108 18.851 -8.457 4.355 1.00 0.00 C ATOM 1605 O GLY A 108 19.510 -7.435 4.554 1.00 0.00 O ATOM 0 H GLY A 108 17.503 -11.142 5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.256 -9.229 6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.604 -10.357 5.027 1.00 0.00 H new ATOM 1609 N VAL A 109 18.083 -8.617 3.275 1.00 0.00 N ATOM 1610 CA VAL A 109 17.928 -7.553 2.293 1.00 0.00 C ATOM 1611 C VAL A 109 16.984 -6.477 2.818 1.00 0.00 C ATOM 1612 O VAL A 109 17.113 -5.313 2.449 1.00 0.00 O ATOM 1613 CB VAL A 109 17.429 -8.127 0.961 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.337 -9.265 0.501 1.00 0.00 C ATOM 1615 CG2 VAL A 109 15.996 -8.637 1.088 1.00 0.00 C ATOM 0 H VAL A 109 17.564 -9.469 3.063 1.00 0.00 H new ATOM 0 HA VAL A 109 18.899 -7.090 2.119 1.00 0.00 H new ATOM 0 HB VAL A 109 17.450 -7.326 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.971 -9.663 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.352 -8.890 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.338 -10.056 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.666 -9.039 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 109 15.955 -9.421 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.342 -7.816 1.381 1.00 0.00 H new ATOM 1625 N ALA A 110 16.036 -6.861 3.681 1.00 0.00 N ATOM 1626 CA ALA A 110 15.121 -5.910 4.281 1.00 0.00 C ATOM 1627 C ALA A 110 15.867 -5.037 5.292 1.00 0.00 C ATOM 1628 O ALA A 110 15.452 -3.912 5.562 1.00 0.00 O ATOM 1629 CB ALA A 110 13.974 -6.670 4.951 1.00 0.00 C ATOM 0 H ALA A 110 15.890 -7.827 3.973 1.00 0.00 H new ATOM 0 HA ALA A 110 14.707 -5.257 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.283 -5.960 5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.447 -7.264 4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.375 -7.328 5.722 1.00 0.00 H new ATOM 1635 N LYS A 111 16.968 -5.556 5.847 1.00 0.00 N ATOM 1636 CA LYS A 111 17.791 -4.821 6.792 1.00 0.00 C ATOM 1637 C LYS A 111 18.590 -3.740 6.067 1.00 0.00 C ATOM 1638 O LYS A 111 18.765 -2.638 6.585 1.00 0.00 O ATOM 1639 CB LYS A 111 18.723 -5.809 7.490 1.00 0.00 C ATOM 1640 CG LYS A 111 19.527 -5.111 8.588 1.00 0.00 C ATOM 1641 CD LYS A 111 20.468 -6.120 9.248 1.00 0.00 C ATOM 1642 CE LYS A 111 19.696 -7.190 10.022 1.00 0.00 C ATOM 1643 NZ LYS A 111 18.909 -6.598 11.127 1.00 0.00 N ATOM 0 H LYS A 111 17.307 -6.497 5.649 1.00 0.00 H new ATOM 0 HA LYS A 111 17.162 -4.327 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.141 -6.624 7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.402 -6.253 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 111 20.100 -4.285 8.166 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.854 -4.684 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 111 21.084 -6.596 8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.145 -5.598 9.925 1.00 0.00 H new ATOM 0 HE2 LYS A 111 19.029 -7.722 9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 111 20.394 -7.925 10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 18.621 -7.347 11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 19.490 -5.897 11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 18.063 -6.134 10.740 1.00 0.00 H new ATOM 1657 N ALA A 112 19.072 -4.059 4.862 1.00 0.00 N ATOM 1658 CA ALA A 112 19.864 -3.128 4.072 1.00 0.00 C ATOM 1659 C ALA A 112 18.984 -2.030 3.478 1.00 0.00 C ATOM 1660 O ALA A 112 19.375 -0.866 3.461 1.00 0.00 O ATOM 1661 CB ALA A 112 20.574 -3.902 2.963 1.00 0.00 C ATOM 0 H ALA A 112 18.923 -4.963 4.415 1.00 0.00 H new ATOM 0 HA ALA A 112 20.601 -2.647 4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.171 -3.214 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.224 -4.657 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.834 -4.388 2.327 1.00 0.00 H new ATOM 1667 N LEU A 113 17.793 -2.391 2.993 1.00 0.00 N ATOM 1668 CA LEU A 113 16.892 -1.428 2.375 1.00 0.00 C ATOM 1669 C LEU A 113 16.279 -0.504 3.428 1.00 0.00 C ATOM 1670 O LEU A 113 15.842 0.596 3.095 1.00 0.00 O ATOM 1671 CB LEU A 113 15.795 -2.177 1.616 1.00 0.00 C ATOM 1672 CG LEU A 113 16.362 -2.919 0.398 1.00 0.00 C ATOM 1673 CD1 LEU A 113 15.284 -3.816 -0.197 1.00 0.00 C ATOM 1674 CD2 LEU A 113 16.817 -1.926 -0.673 1.00 0.00 C ATOM 0 H LEU A 113 17.434 -3.346 3.019 1.00 0.00 H new ATOM 0 HA LEU A 113 17.457 -0.810 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.310 -2.889 2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 113 15.030 -1.472 1.291 1.00 0.00 H new ATOM 0 HG LEU A 113 17.215 -3.514 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.686 -4.343 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.960 -4.540 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 113 14.434 -3.208 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.216 -2.471 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.968 -1.321 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.591 -1.278 -0.263 1.00 0.00 H new ATOM 1686 N ALA A 114 16.241 -0.934 4.694 1.00 0.00 N ATOM 1687 CA ALA A 114 15.741 -0.088 5.770 1.00 0.00 C ATOM 1688 C ALA A 114 16.797 0.950 6.157 1.00 0.00 C ATOM 1689 O ALA A 114 16.461 2.075 6.521 1.00 0.00 O ATOM 1690 CB ALA A 114 15.383 -0.963 6.969 1.00 0.00 C ATOM 0 H ALA A 114 16.550 -1.859 4.992 1.00 0.00 H new ATOM 0 HA ALA A 114 14.850 0.443 5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.008 -0.336 7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.615 -1.680 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.270 -1.499 7.306 1.00 0.00 H new ATOM 1696 N ALA A 115 18.077 0.570 6.074 1.00 0.00 N ATOM 1697 CA ALA A 115 19.190 1.465 6.358 1.00 0.00 C ATOM 1698 C ALA A 115 19.518 2.338 5.144 1.00 0.00 C ATOM 1699 O ALA A 115 20.334 3.252 5.246 1.00 0.00 O ATOM 1700 CB ALA A 115 20.403 0.642 6.779 1.00 0.00 C ATOM 0 H ALA A 115 18.365 -0.371 5.807 1.00 0.00 H new ATOM 0 HA ALA A 115 18.909 2.133 7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.239 1.309 6.993 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.160 0.067 7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.678 -0.038 5.973 1.00 0.00 H new ATOM 1706 N LEU A 116 18.897 2.062 3.997 1.00 0.00 N ATOM 1707 CA LEU A 116 19.146 2.807 2.777 1.00 0.00 C ATOM 1708 C LEU A 116 18.493 4.193 2.812 1.00 0.00 C ATOM 1709 O LEU A 116 18.934 5.103 2.110 1.00 0.00 O ATOM 1710 CB LEU A 116 18.612 1.980 1.612 1.00 0.00 C ATOM 1711 CG LEU A 116 18.959 2.586 0.256 1.00 0.00 C ATOM 1712 CD1 LEU A 116 20.467 2.748 0.098 1.00 0.00 C ATOM 1713 CD2 LEU A 116 18.452 1.647 -0.831 1.00 0.00 C ATOM 0 H LEU A 116 18.209 1.316 3.894 1.00 0.00 H new ATOM 0 HA LEU A 116 20.217 2.978 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 116 19.020 0.971 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.529 1.891 1.700 1.00 0.00 H new ATOM 0 HG LEU A 116 18.495 3.569 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 116 20.686 3.182 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 116 20.846 3.405 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 116 20.948 1.773 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 116 18.690 2.062 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 116 18.931 0.674 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.372 1.533 -0.738 1.00 0.00 H new