USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 MET CE :methyl 154:sc= -3.1! (180deg=-5.34!) USER MOD Set 1.2: A 80 MET CE :methyl 179:sc= -3.65! (180deg=-3.8!) USER MOD Set 2.1: A 16 GLN : amide:sc= -0.0747 X(o=-1.2,f=-0.91) USER MOD Set 2.2: A 81 MET CE :methyl 176:sc= -1.14 (180deg=-1.24) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.04) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.65) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.0068) USER MOD Single : A 35 CYS SG : rot -2:sc= -0.603 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -85:sc= 0.683 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0341) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= 0.37 (180deg=0.101) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0937 K(o=-0.094,f=-1.8!) USER MOD Single : A 53 THR OG1 : rot -160:sc= -0.187 USER MOD Single : A 58 GLN : amide:sc= -0.615 X(o=-0.61,f=-0.12) USER MOD Single : A 60 MET CE :methyl 158:sc= -1.41 (180deg=-1.57) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0544 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.026 -6.071 -17.136 1.00 0.00 N ATOM 47 CA ILE A 4 7.775 -6.597 -16.575 1.00 0.00 C ATOM 48 C ILE A 4 6.631 -5.594 -16.765 1.00 0.00 C ATOM 49 O ILE A 4 5.469 -5.983 -16.891 1.00 0.00 O ATOM 50 CB ILE A 4 7.924 -6.932 -15.078 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.274 -5.672 -14.272 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.034 -7.971 -14.895 1.00 0.00 C ATOM 53 CD1 ILE A 4 6.991 -4.968 -13.831 1.00 0.00 C ATOM 0 HA ILE A 4 7.541 -7.516 -17.113 1.00 0.00 H new ATOM 0 HB ILE A 4 6.976 -7.330 -14.716 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.871 -5.941 -13.400 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.880 -4.998 -14.878 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.140 -8.208 -13.836 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.779 -8.876 -15.446 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.974 -7.569 -15.272 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.244 -4.075 -13.260 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.411 -4.685 -14.709 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.402 -5.642 -13.209 1.00 0.00 H new ATOM 65 N TYR A 5 6.978 -4.302 -16.795 1.00 0.00 N ATOM 66 CA TYR A 5 5.978 -3.247 -16.982 1.00 0.00 C ATOM 67 C TYR A 5 5.423 -3.296 -18.404 1.00 0.00 C ATOM 68 O TYR A 5 4.244 -3.023 -18.632 1.00 0.00 O ATOM 69 CB TYR A 5 6.595 -1.866 -16.734 1.00 0.00 C ATOM 70 CG TYR A 5 7.091 -1.788 -15.311 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.186 -1.574 -14.266 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.456 -1.938 -15.039 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.646 -1.511 -12.947 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.915 -1.874 -13.720 1.00 0.00 C ATOM 75 CZ TYR A 5 8.011 -1.661 -12.672 1.00 0.00 C ATOM 76 OH TYR A 5 8.465 -1.598 -11.371 1.00 0.00 O ATOM 0 H TYR A 5 7.935 -3.965 -16.693 1.00 0.00 H new ATOM 0 HA TYR A 5 5.173 -3.413 -16.266 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.418 -1.693 -17.428 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.855 -1.087 -16.916 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.133 -1.458 -14.478 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.153 -2.103 -15.847 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.948 -1.346 -12.140 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.968 -1.989 -13.509 1.00 0.00 H new ATOM 0 HH TYR A 5 9.437 -1.723 -11.357 1.00 0.00 H new ATOM 86 N LYS A 6 6.290 -3.666 -19.352 1.00 0.00 N ATOM 87 CA LYS A 6 5.887 -3.772 -20.759 1.00 0.00 C ATOM 88 C LYS A 6 4.953 -4.962 -20.934 1.00 0.00 C ATOM 89 O LYS A 6 3.974 -4.900 -21.681 1.00 0.00 O ATOM 90 CB LYS A 6 7.110 -3.955 -21.673 1.00 0.00 C ATOM 91 CG LYS A 6 8.228 -2.980 -21.275 1.00 0.00 C ATOM 92 CD LYS A 6 7.646 -1.583 -21.032 1.00 0.00 C ATOM 93 CE LYS A 6 8.660 -0.728 -20.268 1.00 0.00 C ATOM 94 NZ LYS A 6 8.455 0.711 -20.600 1.00 0.00 N ATOM 0 H LYS A 6 7.268 -3.896 -19.174 1.00 0.00 H new ATOM 0 HA LYS A 6 5.378 -2.849 -21.037 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.472 -4.981 -21.605 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.824 -3.786 -22.711 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.728 -3.336 -20.374 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.981 -2.937 -22.062 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.400 -1.110 -21.983 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.718 -1.658 -20.465 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.546 -0.883 -19.195 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.674 -1.030 -20.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.145 1.289 -20.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.585 0.853 -21.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.492 0.996 -20.330 1.00 0.00 H new ATOM 108 N ALA A 7 5.260 -6.041 -20.213 1.00 0.00 N ATOM 109 CA ALA A 7 4.436 -7.249 -20.261 1.00 0.00 C ATOM 110 C ALA A 7 3.061 -6.978 -19.643 1.00 0.00 C ATOM 111 O ALA A 7 2.059 -7.564 -20.054 1.00 0.00 O ATOM 112 CB ALA A 7 5.112 -8.392 -19.498 1.00 0.00 C ATOM 0 H ALA A 7 6.067 -6.103 -19.593 1.00 0.00 H new ATOM 0 HA ALA A 7 4.317 -7.536 -21.306 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.484 -9.282 -19.545 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.081 -8.607 -19.949 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.252 -8.101 -18.457 1.00 0.00 H new ATOM 118 N ALA A 8 3.027 -6.073 -18.652 1.00 0.00 N ATOM 119 CA ALA A 8 1.776 -5.720 -17.983 1.00 0.00 C ATOM 120 C ALA A 8 0.951 -4.743 -18.825 1.00 0.00 C ATOM 121 O ALA A 8 -0.267 -4.675 -18.679 1.00 0.00 O ATOM 122 CB ALA A 8 2.063 -5.078 -16.625 1.00 0.00 C ATOM 0 H ALA A 8 3.848 -5.579 -18.302 1.00 0.00 H new ATOM 0 HA ALA A 8 1.207 -6.640 -17.848 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.122 -4.820 -16.138 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.615 -5.780 -16.000 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.657 -4.175 -16.768 1.00 0.00 H new ATOM 128 N VAL A 9 1.626 -3.983 -19.703 1.00 0.00 N ATOM 129 CA VAL A 9 0.942 -3.006 -20.562 1.00 0.00 C ATOM 130 C VAL A 9 -0.222 -3.658 -21.317 1.00 0.00 C ATOM 131 O VAL A 9 -1.352 -3.168 -21.275 1.00 0.00 O ATOM 132 CB VAL A 9 1.938 -2.397 -21.565 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.190 -1.739 -22.730 1.00 0.00 C ATOM 134 CG2 VAL A 9 2.792 -1.342 -20.855 1.00 0.00 C ATOM 0 H VAL A 9 2.636 -4.026 -19.835 1.00 0.00 H new ATOM 0 HA VAL A 9 0.541 -2.217 -19.926 1.00 0.00 H new ATOM 0 HB VAL A 9 2.573 -3.192 -21.956 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.909 -1.313 -23.430 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.584 -2.487 -23.242 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.544 -0.948 -22.348 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.498 -0.909 -21.563 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.147 -0.557 -20.460 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.339 -1.808 -20.036 1.00 0.00 H new ATOM 144 N GLU A 10 0.068 -4.767 -22.003 1.00 0.00 N ATOM 145 CA GLU A 10 -0.964 -5.484 -22.764 1.00 0.00 C ATOM 146 C GLU A 10 -1.989 -6.153 -21.835 1.00 0.00 C ATOM 147 O GLU A 10 -3.070 -6.545 -22.277 1.00 0.00 O ATOM 148 CB GLU A 10 -0.326 -6.559 -23.650 1.00 0.00 C ATOM 149 CG GLU A 10 0.439 -5.892 -24.799 1.00 0.00 C ATOM 150 CD GLU A 10 1.711 -6.681 -25.097 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.704 -6.441 -24.428 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.673 -7.513 -25.989 1.00 0.00 O ATOM 0 H GLU A 10 0.997 -5.186 -22.049 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.477 -4.747 -23.382 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.351 -7.177 -23.059 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.096 -7.220 -24.048 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.189 -5.847 -25.689 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.690 -4.865 -24.534 1.00 0.00 H new ATOM 159 N GLN A 11 -1.639 -6.282 -20.549 1.00 0.00 N ATOM 160 CA GLN A 11 -2.537 -6.911 -19.576 1.00 0.00 C ATOM 161 C GLN A 11 -3.471 -5.884 -18.934 1.00 0.00 C ATOM 162 O GLN A 11 -4.632 -6.186 -18.651 1.00 0.00 O ATOM 163 CB GLN A 11 -1.733 -7.609 -18.472 1.00 0.00 C ATOM 164 CG GLN A 11 -0.760 -8.617 -19.091 1.00 0.00 C ATOM 165 CD GLN A 11 -1.532 -9.827 -19.614 1.00 0.00 C ATOM 166 OE1 GLN A 11 -1.838 -10.748 -18.858 1.00 0.00 O ATOM 167 NE2 GLN A 11 -1.865 -9.880 -20.876 1.00 0.00 N ATOM 0 H GLN A 11 -0.751 -5.963 -20.163 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.135 -7.645 -20.117 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.183 -6.870 -17.889 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.409 -8.118 -17.785 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.205 -8.149 -19.904 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.029 -8.934 -18.348 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.611 -9.116 -21.503 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.379 -10.685 -21.235 1.00 0.00 H new ATOM 176 N LEU A 12 -2.953 -4.672 -18.696 1.00 0.00 N ATOM 177 CA LEU A 12 -3.749 -3.612 -18.075 1.00 0.00 C ATOM 178 C LEU A 12 -5.042 -3.366 -18.848 1.00 0.00 C ATOM 179 O LEU A 12 -5.026 -3.090 -20.050 1.00 0.00 O ATOM 180 CB LEU A 12 -2.953 -2.311 -18.008 1.00 0.00 C ATOM 181 CG LEU A 12 -1.841 -2.297 -16.959 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.529 -1.872 -17.616 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.204 -1.314 -15.842 1.00 0.00 C ATOM 0 H LEU A 12 -1.995 -4.405 -18.923 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.997 -3.941 -17.066 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.513 -2.119 -18.987 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.640 -1.491 -17.801 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.725 -3.295 -16.535 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.265 -1.861 -16.869 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.274 -2.576 -18.408 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.641 -0.874 -18.041 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.411 -1.304 -15.094 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.320 -0.314 -16.261 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.139 -1.623 -15.375 1.00 0.00 H new ATOM 195 N THR A 13 -6.157 -3.477 -18.131 1.00 0.00 N ATOM 196 CA THR A 13 -7.479 -3.274 -18.725 1.00 0.00 C ATOM 197 C THR A 13 -8.272 -2.254 -17.919 1.00 0.00 C ATOM 198 O THR A 13 -7.867 -1.854 -16.825 1.00 0.00 O ATOM 199 CB THR A 13 -8.271 -4.592 -18.748 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.831 -5.440 -17.694 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.061 -5.291 -20.087 1.00 0.00 C ATOM 0 H THR A 13 -6.173 -3.706 -17.137 1.00 0.00 H new ATOM 0 HA THR A 13 -7.332 -2.913 -19.743 1.00 0.00 H new ATOM 0 HB THR A 13 -9.331 -4.375 -18.613 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.341 -6.277 -17.713 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.623 -6.225 -20.102 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.409 -4.645 -20.893 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.001 -5.503 -20.224 1.00 0.00 H new ATOM 209 N ASP A 14 -9.427 -1.859 -18.462 1.00 0.00 N ATOM 210 CA ASP A 14 -10.298 -0.908 -17.773 1.00 0.00 C ATOM 211 C ASP A 14 -10.672 -1.454 -16.393 1.00 0.00 C ATOM 212 O ASP A 14 -10.847 -0.694 -15.441 1.00 0.00 O ATOM 213 CB ASP A 14 -11.579 -0.670 -18.576 1.00 0.00 C ATOM 214 CG ASP A 14 -11.955 0.808 -18.518 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.572 1.206 -17.543 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.620 1.521 -19.451 1.00 0.00 O ATOM 0 H ASP A 14 -9.776 -2.179 -19.365 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.761 0.035 -17.669 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.433 -0.978 -19.611 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.390 -1.278 -18.174 1.00 0.00 H new ATOM 221 N GLU A 15 -10.781 -2.787 -16.305 1.00 0.00 N ATOM 222 CA GLU A 15 -11.123 -3.449 -15.042 1.00 0.00 C ATOM 223 C GLU A 15 -10.018 -3.242 -14.004 1.00 0.00 C ATOM 224 O GLU A 15 -10.293 -2.860 -12.868 1.00 0.00 O ATOM 225 CB GLU A 15 -11.326 -4.953 -15.261 1.00 0.00 C ATOM 226 CG GLU A 15 -12.736 -5.210 -15.801 1.00 0.00 C ATOM 227 CD GLU A 15 -13.714 -5.351 -14.637 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.233 -4.337 -14.198 1.00 0.00 O ATOM 229 OE2 GLU A 15 -13.929 -6.470 -14.200 1.00 0.00 O ATOM 0 H GLU A 15 -10.638 -3.423 -17.089 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.049 -3.006 -14.676 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.583 -5.332 -15.963 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.182 -5.490 -14.323 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.043 -4.389 -16.449 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.744 -6.116 -16.408 1.00 0.00 H new ATOM 236 N GLN A 16 -8.766 -3.492 -14.411 1.00 0.00 N ATOM 237 CA GLN A 16 -7.620 -3.324 -13.506 1.00 0.00 C ATOM 238 C GLN A 16 -7.530 -1.880 -13.024 1.00 0.00 C ATOM 239 O GLN A 16 -7.390 -1.623 -11.827 1.00 0.00 O ATOM 240 CB GLN A 16 -6.311 -3.697 -14.210 1.00 0.00 C ATOM 241 CG GLN A 16 -6.074 -5.206 -14.096 1.00 0.00 C ATOM 242 CD GLN A 16 -5.317 -5.508 -12.805 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.924 -5.826 -11.782 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.014 -5.428 -12.790 1.00 0.00 N ATOM 0 H GLN A 16 -8.522 -3.808 -15.350 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.770 -3.986 -12.653 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.355 -3.405 -15.259 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.479 -3.154 -13.762 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.027 -5.736 -14.104 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.505 -5.561 -14.955 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.509 -5.165 -13.636 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.501 -5.629 -11.932 1.00 0.00 H new ATOM 253 N LYS A 17 -7.631 -0.937 -13.965 1.00 0.00 N ATOM 254 CA LYS A 17 -7.578 0.482 -13.615 1.00 0.00 C ATOM 255 C LYS A 17 -8.750 0.839 -12.703 1.00 0.00 C ATOM 256 O LYS A 17 -8.604 1.632 -11.778 1.00 0.00 O ATOM 257 CB LYS A 17 -7.632 1.359 -14.871 1.00 0.00 C ATOM 258 CG LYS A 17 -6.208 1.659 -15.350 1.00 0.00 C ATOM 259 CD LYS A 17 -5.955 0.957 -16.688 1.00 0.00 C ATOM 260 CE LYS A 17 -6.318 1.900 -17.839 1.00 0.00 C ATOM 261 NZ LYS A 17 -6.800 1.105 -19.005 1.00 0.00 N ATOM 0 H LYS A 17 -7.748 -1.128 -14.960 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.637 0.666 -13.097 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.192 0.852 -15.657 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.157 2.289 -14.655 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.070 2.735 -15.461 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.485 1.320 -14.608 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.909 0.661 -16.763 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.549 0.045 -16.750 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.090 2.600 -17.519 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.449 2.493 -18.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.046 1.747 -19.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.050 0.454 -19.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.640 0.558 -18.729 1.00 0.00 H new ATOM 275 N ASN A 18 -9.910 0.224 -12.966 1.00 0.00 N ATOM 276 CA ASN A 18 -11.102 0.465 -12.151 1.00 0.00 C ATOM 277 C ASN A 18 -10.887 -0.057 -10.728 1.00 0.00 C ATOM 278 O ASN A 18 -11.340 0.551 -9.758 1.00 0.00 O ATOM 279 CB ASN A 18 -12.325 -0.235 -12.760 1.00 0.00 C ATOM 280 CG ASN A 18 -13.106 0.748 -13.629 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.360 1.883 -13.222 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.511 0.376 -14.813 1.00 0.00 N ATOM 0 H ASN A 18 -10.046 -0.438 -13.730 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.279 1.540 -12.124 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.006 -1.089 -13.358 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.966 -0.622 -11.968 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.037 1.024 -15.399 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.302 -0.563 -15.152 1.00 0.00 H new ATOM 289 N GLU A 19 -10.182 -1.192 -10.619 1.00 0.00 N ATOM 290 CA GLU A 19 -9.897 -1.796 -9.314 1.00 0.00 C ATOM 291 C GLU A 19 -9.059 -0.850 -8.463 1.00 0.00 C ATOM 292 O GLU A 19 -9.432 -0.511 -7.339 1.00 0.00 O ATOM 293 CB GLU A 19 -9.124 -3.111 -9.477 1.00 0.00 C ATOM 294 CG GLU A 19 -10.005 -4.147 -10.173 1.00 0.00 C ATOM 295 CD GLU A 19 -10.580 -5.111 -9.139 1.00 0.00 C ATOM 296 OE1 GLU A 19 -9.922 -6.096 -8.846 1.00 0.00 O ATOM 297 OE2 GLU A 19 -11.669 -4.849 -8.655 1.00 0.00 O ATOM 0 H GLU A 19 -9.802 -1.706 -11.414 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.852 -1.991 -8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.218 -2.941 -10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.811 -3.483 -8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.813 -3.650 -10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.422 -4.697 -10.912 1.00 0.00 H new ATOM 304 N PHE A 20 -7.913 -0.442 -9.011 1.00 0.00 N ATOM 305 CA PHE A 20 -7.007 0.457 -8.292 1.00 0.00 C ATOM 306 C PHE A 20 -7.595 1.863 -8.147 1.00 0.00 C ATOM 307 O PHE A 20 -7.443 2.496 -7.104 1.00 0.00 O ATOM 308 CB PHE A 20 -5.662 0.557 -9.015 1.00 0.00 C ATOM 309 CG PHE A 20 -5.014 -0.806 -9.081 1.00 0.00 C ATOM 310 CD1 PHE A 20 -4.705 -1.499 -7.904 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.722 -1.376 -10.324 1.00 0.00 C ATOM 312 CE1 PHE A 20 -4.104 -2.759 -7.972 1.00 0.00 C ATOM 313 CE2 PHE A 20 -4.120 -2.636 -10.392 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.810 -3.328 -9.217 1.00 0.00 C ATOM 0 H PHE A 20 -7.592 -0.716 -9.940 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.865 0.033 -7.298 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.808 0.949 -10.021 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.009 1.255 -8.492 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.931 -1.060 -6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.962 -0.843 -11.232 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.866 -3.294 -7.064 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.894 -3.075 -11.353 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.344 -4.301 -9.270 1.00 0.00 H new ATOM 324 N LYS A 21 -8.254 2.351 -9.206 1.00 0.00 N ATOM 325 CA LYS A 21 -8.846 3.696 -9.185 1.00 0.00 C ATOM 326 C LYS A 21 -9.906 3.816 -8.091 1.00 0.00 C ATOM 327 O LYS A 21 -9.870 4.745 -7.285 1.00 0.00 O ATOM 328 CB LYS A 21 -9.482 4.036 -10.542 1.00 0.00 C ATOM 329 CG LYS A 21 -10.024 5.471 -10.523 1.00 0.00 C ATOM 330 CD LYS A 21 -8.879 6.456 -10.263 1.00 0.00 C ATOM 331 CE LYS A 21 -9.319 7.870 -10.652 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.049 8.097 -12.102 1.00 0.00 N ATOM 0 H LYS A 21 -8.390 1.842 -10.079 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.040 4.400 -8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.743 3.928 -11.336 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.289 3.337 -10.760 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.504 5.701 -11.474 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.785 5.572 -9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.595 6.429 -9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.999 6.167 -10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.381 8.001 -10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.784 8.606 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.348 9.058 -12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.031 7.989 -12.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.579 7.403 -12.667 1.00 0.00 H new ATOM 346 N ALA A 22 -10.846 2.868 -8.069 1.00 0.00 N ATOM 347 CA ALA A 22 -11.908 2.882 -7.060 1.00 0.00 C ATOM 348 C ALA A 22 -11.316 2.714 -5.662 1.00 0.00 C ATOM 349 O ALA A 22 -11.696 3.421 -4.730 1.00 0.00 O ATOM 350 CB ALA A 22 -12.917 1.762 -7.315 1.00 0.00 C ATOM 0 H ALA A 22 -10.894 2.091 -8.728 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.418 3.843 -7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.696 1.793 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.367 1.895 -8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.409 0.799 -7.275 1.00 0.00 H new ATOM 356 N ALA A 23 -10.366 1.780 -5.535 1.00 0.00 N ATOM 357 CA ALA A 23 -9.706 1.531 -4.248 1.00 0.00 C ATOM 358 C ALA A 23 -8.896 2.756 -3.806 1.00 0.00 C ATOM 359 O ALA A 23 -8.614 2.928 -2.619 1.00 0.00 O ATOM 360 CB ALA A 23 -8.769 0.326 -4.349 1.00 0.00 C ATOM 0 H ALA A 23 -10.039 1.189 -6.300 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.483 1.328 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.289 0.157 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.342 -0.558 -4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.008 0.519 -5.105 1.00 0.00 H new ATOM 366 N PHE A 24 -8.531 3.604 -4.772 1.00 0.00 N ATOM 367 CA PHE A 24 -7.761 4.811 -4.480 1.00 0.00 C ATOM 368 C PHE A 24 -8.697 5.954 -4.082 1.00 0.00 C ATOM 369 O PHE A 24 -8.541 6.555 -3.021 1.00 0.00 O ATOM 370 CB PHE A 24 -6.955 5.234 -5.718 1.00 0.00 C ATOM 371 CG PHE A 24 -5.776 6.091 -5.314 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.545 5.491 -5.023 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.909 7.484 -5.242 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.449 6.282 -4.658 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.813 8.274 -4.876 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.584 7.674 -4.584 1.00 0.00 C ATOM 0 H PHE A 24 -8.756 3.476 -5.758 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.082 4.594 -3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.604 4.350 -6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.596 5.787 -6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.441 4.418 -5.080 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.857 7.948 -5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.500 5.819 -4.434 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.917 9.348 -4.819 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.739 8.284 -4.301 1.00 0.00 H new ATOM 386 N ASP A 25 -9.661 6.251 -4.961 1.00 0.00 N ATOM 387 CA ASP A 25 -10.615 7.342 -4.728 1.00 0.00 C ATOM 388 C ASP A 25 -11.380 7.194 -3.408 1.00 0.00 C ATOM 389 O ASP A 25 -11.659 8.192 -2.743 1.00 0.00 O ATOM 390 CB ASP A 25 -11.625 7.423 -5.878 1.00 0.00 C ATOM 391 CG ASP A 25 -12.223 8.826 -5.937 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.631 9.675 -6.582 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.265 9.031 -5.335 1.00 0.00 O ATOM 0 H ASP A 25 -9.801 5.752 -5.839 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.025 8.257 -4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.136 7.185 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.415 6.686 -5.734 1.00 0.00 H new ATOM 398 N ILE A 26 -11.728 5.954 -3.035 1.00 0.00 N ATOM 399 CA ILE A 26 -12.471 5.730 -1.784 1.00 0.00 C ATOM 400 C ILE A 26 -11.735 6.347 -0.591 1.00 0.00 C ATOM 401 O ILE A 26 -12.359 6.893 0.321 1.00 0.00 O ATOM 402 CB ILE A 26 -12.691 4.232 -1.524 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.351 3.486 -1.590 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.651 3.670 -2.577 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.571 1.996 -1.323 1.00 0.00 C ATOM 0 H ILE A 26 -11.514 5.109 -3.565 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.441 6.214 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.121 4.097 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.895 3.625 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.659 3.898 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.809 2.607 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.605 4.194 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.223 3.808 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.616 1.473 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.007 1.864 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.247 1.588 -2.074 1.00 0.00 H new ATOM 417 N PHE A 27 -10.402 6.263 -0.613 1.00 0.00 N ATOM 418 CA PHE A 27 -9.587 6.824 0.464 1.00 0.00 C ATOM 419 C PHE A 27 -9.277 8.301 0.203 1.00 0.00 C ATOM 420 O PHE A 27 -9.095 9.078 1.143 1.00 0.00 O ATOM 421 CB PHE A 27 -8.276 6.045 0.600 1.00 0.00 C ATOM 422 CG PHE A 27 -8.556 4.715 1.264 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.869 4.665 2.628 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.513 3.537 0.512 1.00 0.00 C ATOM 425 CE1 PHE A 27 -9.137 3.434 3.239 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.782 2.306 1.122 1.00 0.00 C ATOM 427 CZ PHE A 27 -9.094 2.255 2.486 1.00 0.00 C ATOM 0 H PHE A 27 -9.869 5.816 -1.359 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.155 6.742 1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.828 5.888 -0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.559 6.616 1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.904 5.575 3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.272 3.577 -0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.377 3.394 4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.749 1.396 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.302 1.306 2.957 1.00 0.00 H new ATOM 437 N ILE A 28 -9.224 8.686 -1.081 1.00 0.00 N ATOM 438 CA ILE A 28 -8.941 10.080 -1.447 1.00 0.00 C ATOM 439 C ILE A 28 -10.244 10.876 -1.611 1.00 0.00 C ATOM 440 O ILE A 28 -10.331 11.789 -2.435 1.00 0.00 O ATOM 441 CB ILE A 28 -8.135 10.151 -2.760 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.977 9.142 -2.746 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.556 11.555 -2.946 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.353 9.046 -1.349 1.00 0.00 C ATOM 0 H ILE A 28 -9.371 8.060 -1.873 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.352 10.517 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.812 9.913 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.340 8.162 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.218 9.443 -3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.989 11.594 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.368 12.281 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.898 11.791 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.535 8.325 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.970 10.023 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.109 8.721 -0.634 1.00 0.00 H new ATOM 456 N GLN A 29 -11.257 10.532 -0.809 1.00 0.00 N ATOM 457 CA GLN A 29 -12.539 11.240 -0.875 1.00 0.00 C ATOM 458 C GLN A 29 -12.385 12.657 -0.317 1.00 0.00 C ATOM 459 O GLN A 29 -13.004 13.601 -0.813 1.00 0.00 O ATOM 460 CB GLN A 29 -13.633 10.493 -0.090 1.00 0.00 C ATOM 461 CG GLN A 29 -13.166 10.203 1.342 1.00 0.00 C ATOM 462 CD GLN A 29 -14.375 9.885 2.219 1.00 0.00 C ATOM 463 OE1 GLN A 29 -15.313 10.677 2.307 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.408 8.761 2.884 1.00 0.00 N ATOM 0 H GLN A 29 -11.217 9.782 -0.119 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.840 11.288 -1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.544 11.091 -0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.877 9.558 -0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.470 9.364 1.346 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.630 11.064 1.742 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.632 8.103 2.813 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.210 8.541 3.475 1.00 0.00 H new ATOM 473 N ASP A 30 -11.539 12.794 0.712 1.00 0.00 N ATOM 474 CA ASP A 30 -11.286 14.094 1.331 1.00 0.00 C ATOM 475 C ASP A 30 -9.840 14.167 1.838 1.00 0.00 C ATOM 476 O ASP A 30 -9.575 14.675 2.932 1.00 0.00 O ATOM 477 CB ASP A 30 -12.251 14.326 2.504 1.00 0.00 C ATOM 478 CG ASP A 30 -13.672 14.506 1.975 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.985 15.597 1.529 1.00 0.00 O ATOM 480 OD2 ASP A 30 -14.426 13.547 2.022 1.00 0.00 O ATOM 0 H ASP A 30 -11.021 12.021 1.130 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.445 14.868 0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.213 13.481 3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.948 15.209 3.067 1.00 0.00 H new ATOM 485 N ALA A 31 -8.905 13.651 1.030 1.00 0.00 N ATOM 486 CA ALA A 31 -7.489 13.658 1.404 1.00 0.00 C ATOM 487 C ALA A 31 -6.926 15.080 1.371 1.00 0.00 C ATOM 488 O ALA A 31 -7.407 15.938 0.626 1.00 0.00 O ATOM 489 CB ALA A 31 -6.675 12.781 0.451 1.00 0.00 C ATOM 0 H ALA A 31 -9.102 13.228 0.123 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.414 13.262 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.626 12.800 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.046 11.757 0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.773 13.161 -0.566 1.00 0.00 H new ATOM 495 N GLU A 32 -5.899 15.311 2.189 1.00 0.00 N ATOM 496 CA GLU A 32 -5.260 16.629 2.261 1.00 0.00 C ATOM 497 C GLU A 32 -4.510 16.937 0.967 1.00 0.00 C ATOM 498 O GLU A 32 -4.712 17.987 0.352 1.00 0.00 O ATOM 499 CB GLU A 32 -4.270 16.688 3.431 1.00 0.00 C ATOM 500 CG GLU A 32 -5.036 16.709 4.756 1.00 0.00 C ATOM 501 CD GLU A 32 -4.097 16.312 5.893 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.971 15.124 6.144 1.00 0.00 O ATOM 503 OE2 GLU A 32 -3.518 17.201 6.495 1.00 0.00 O ATOM 0 H GLU A 32 -5.493 14.609 2.808 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.047 17.368 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.603 15.826 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.646 17.578 3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.444 17.704 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.881 16.022 4.711 1.00 0.00 H new ATOM 510 N ASP A 33 -3.641 16.008 0.564 1.00 0.00 N ATOM 511 CA ASP A 33 -2.852 16.179 -0.661 1.00 0.00 C ATOM 512 C ASP A 33 -3.510 15.465 -1.849 1.00 0.00 C ATOM 513 O ASP A 33 -3.339 15.875 -2.999 1.00 0.00 O ATOM 514 CB ASP A 33 -1.426 15.643 -0.462 1.00 0.00 C ATOM 515 CG ASP A 33 -1.439 14.117 -0.355 1.00 0.00 C ATOM 516 OD1 ASP A 33 -1.815 13.615 0.693 1.00 0.00 O ATOM 517 OD2 ASP A 33 -1.069 13.474 -1.323 1.00 0.00 O ATOM 0 H ASP A 33 -3.465 15.136 1.062 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.808 17.246 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.796 15.950 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.992 16.073 0.440 1.00 0.00 H new ATOM 522 N GLY A 34 -4.261 14.397 -1.560 1.00 0.00 N ATOM 523 CA GLY A 34 -4.941 13.635 -2.611 1.00 0.00 C ATOM 524 C GLY A 34 -4.323 12.245 -2.794 1.00 0.00 C ATOM 525 O GLY A 34 -4.360 11.682 -3.889 1.00 0.00 O ATOM 0 H GLY A 34 -4.412 14.043 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.997 13.534 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.887 14.184 -3.551 1.00 0.00 H new ATOM 529 N CYS A 35 -3.761 11.695 -1.710 1.00 0.00 N ATOM 530 CA CYS A 35 -3.142 10.368 -1.759 1.00 0.00 C ATOM 531 C CYS A 35 -3.294 9.661 -0.414 1.00 0.00 C ATOM 532 O CYS A 35 -3.841 10.220 0.541 1.00 0.00 O ATOM 533 CB CYS A 35 -1.650 10.478 -2.084 1.00 0.00 C ATOM 534 SG CYS A 35 -1.426 11.291 -3.685 1.00 0.00 S ATOM 0 H CYS A 35 -3.723 12.146 -0.796 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.645 9.796 -2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.140 11.044 -1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.199 9.486 -2.104 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.588 11.552 -4.205 1.00 0.00 H new ATOM 540 N ILE A 36 -2.790 8.428 -0.344 1.00 0.00 N ATOM 541 CA ILE A 36 -2.858 7.653 0.897 1.00 0.00 C ATOM 542 C ILE A 36 -1.497 7.666 1.592 1.00 0.00 C ATOM 543 O ILE A 36 -0.535 8.241 1.083 1.00 0.00 O ATOM 544 CB ILE A 36 -3.281 6.198 0.626 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.282 5.525 -0.324 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.674 6.175 -0.005 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.434 4.512 0.454 1.00 0.00 C ATOM 0 H ILE A 36 -2.335 7.949 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.607 8.114 1.540 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.298 5.655 1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.815 5.024 -1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.639 6.276 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.970 5.143 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.389 6.638 0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.657 6.727 -0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.725 4.035 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.890 5.026 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.083 3.754 0.892 1.00 0.00 H new ATOM 559 N SER A 37 -1.424 7.023 2.756 1.00 0.00 N ATOM 560 CA SER A 37 -0.173 6.966 3.504 1.00 0.00 C ATOM 561 C SER A 37 0.594 5.698 3.143 1.00 0.00 C ATOM 562 O SER A 37 0.014 4.613 3.053 1.00 0.00 O ATOM 563 CB SER A 37 -0.441 6.978 5.010 1.00 0.00 C ATOM 564 OG SER A 37 0.734 7.396 5.695 1.00 0.00 O ATOM 0 H SER A 37 -2.207 6.540 3.196 1.00 0.00 H new ATOM 0 HA SER A 37 0.419 7.843 3.241 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.267 7.651 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.737 5.984 5.346 1.00 0.00 H new ATOM 0 HG SER A 37 0.564 7.406 6.660 1.00 0.00 H new ATOM 570 N THR A 38 1.904 5.848 2.945 1.00 0.00 N ATOM 571 CA THR A 38 2.757 4.704 2.599 1.00 0.00 C ATOM 572 C THR A 38 2.621 3.598 3.650 1.00 0.00 C ATOM 573 O THR A 38 2.589 2.413 3.316 1.00 0.00 O ATOM 574 CB THR A 38 4.230 5.126 2.504 1.00 0.00 C ATOM 575 OG1 THR A 38 4.573 5.926 3.629 1.00 0.00 O ATOM 576 CG2 THR A 38 4.453 5.923 1.218 1.00 0.00 C ATOM 0 H THR A 38 2.396 6.739 3.016 1.00 0.00 H new ATOM 0 HA THR A 38 2.430 4.330 1.629 1.00 0.00 H new ATOM 0 HB THR A 38 4.860 4.236 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.325 6.858 3.455 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.499 6.222 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.197 5.304 0.358 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.822 6.812 1.226 1.00 0.00 H new ATOM 584 N LYS A 39 2.526 4.004 4.921 1.00 0.00 N ATOM 585 CA LYS A 39 2.379 3.047 6.020 1.00 0.00 C ATOM 586 C LYS A 39 0.985 2.411 6.006 1.00 0.00 C ATOM 587 O LYS A 39 0.809 1.273 6.447 1.00 0.00 O ATOM 588 CB LYS A 39 2.590 3.746 7.370 1.00 0.00 C ATOM 589 CG LYS A 39 3.944 4.475 7.392 1.00 0.00 C ATOM 590 CD LYS A 39 5.048 3.555 6.860 1.00 0.00 C ATOM 591 CE LYS A 39 6.374 4.321 6.807 1.00 0.00 C ATOM 592 NZ LYS A 39 6.924 4.475 8.186 1.00 0.00 N ATOM 0 H LYS A 39 2.548 4.982 5.211 1.00 0.00 H new ATOM 0 HA LYS A 39 3.132 2.270 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.784 4.458 7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.552 3.013 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.889 5.378 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.180 4.789 8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.147 2.680 7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.786 3.193 5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.087 3.788 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.221 5.301 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.863 4.920 8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.286 5.073 8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.007 3.540 8.633 1.00 0.00 H new ATOM 606 N GLU A 40 -0.003 3.157 5.496 1.00 0.00 N ATOM 607 CA GLU A 40 -1.382 2.663 5.432 1.00 0.00 C ATOM 608 C GLU A 40 -1.700 2.042 4.059 1.00 0.00 C ATOM 609 O GLU A 40 -2.864 1.974 3.656 1.00 0.00 O ATOM 610 CB GLU A 40 -2.364 3.805 5.705 1.00 0.00 C ATOM 611 CG GLU A 40 -2.379 4.124 7.203 1.00 0.00 C ATOM 612 CD GLU A 40 -2.947 5.523 7.424 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.159 5.665 7.386 1.00 0.00 O ATOM 614 OE2 GLU A 40 -2.161 6.434 7.627 1.00 0.00 O ATOM 0 H GLU A 40 0.126 4.098 5.124 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.487 1.890 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.075 4.690 5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.364 3.525 5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.981 3.388 7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.369 4.063 7.608 1.00 0.00 H new ATOM 621 N LEU A 41 -0.662 1.578 3.351 1.00 0.00 N ATOM 622 CA LEU A 41 -0.856 0.955 2.039 1.00 0.00 C ATOM 623 C LEU A 41 -1.093 -0.564 2.171 1.00 0.00 C ATOM 624 O LEU A 41 -1.113 -1.287 1.172 1.00 0.00 O ATOM 625 CB LEU A 41 0.372 1.208 1.152 1.00 0.00 C ATOM 626 CG LEU A 41 0.263 0.723 -0.301 1.00 0.00 C ATOM 627 CD1 LEU A 41 -1.161 0.940 -0.823 1.00 0.00 C ATOM 628 CD2 LEU A 41 1.246 1.506 -1.177 1.00 0.00 C ATOM 0 H LEU A 41 0.309 1.622 3.661 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.739 1.402 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.575 2.279 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.234 0.725 1.612 1.00 0.00 H new ATOM 0 HG LEU A 41 0.501 -0.340 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.227 0.593 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.864 0.381 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.406 2.001 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.168 1.162 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.008 2.569 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.262 1.346 -0.816 1.00 0.00 H new ATOM 640 N GLY A 42 -1.279 -1.043 3.408 1.00 0.00 N ATOM 641 CA GLY A 42 -1.518 -2.467 3.645 1.00 0.00 C ATOM 642 C GLY A 42 -3.009 -2.757 3.845 1.00 0.00 C ATOM 643 O GLY A 42 -3.485 -3.849 3.529 1.00 0.00 O ATOM 0 H GLY A 42 -1.268 -0.469 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.143 -3.046 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.962 -2.789 4.525 1.00 0.00 H new ATOM 647 N LYS A 43 -3.740 -1.769 4.377 1.00 0.00 N ATOM 648 CA LYS A 43 -5.176 -1.925 4.620 1.00 0.00 C ATOM 649 C LYS A 43 -5.979 -1.793 3.321 1.00 0.00 C ATOM 650 O LYS A 43 -7.079 -2.337 3.204 1.00 0.00 O ATOM 651 CB LYS A 43 -5.664 -0.875 5.631 1.00 0.00 C ATOM 652 CG LYS A 43 -5.596 0.526 5.013 1.00 0.00 C ATOM 653 CD LYS A 43 -6.057 1.562 6.040 1.00 0.00 C ATOM 654 CE LYS A 43 -6.330 2.893 5.335 1.00 0.00 C ATOM 655 NZ LYS A 43 -6.491 3.974 6.349 1.00 0.00 N ATOM 0 H LYS A 43 -3.362 -0.860 4.645 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.335 -2.924 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.687 -1.098 5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.051 -0.914 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.577 0.744 4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.226 0.574 4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.958 1.214 6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.294 1.694 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.509 3.133 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.231 2.815 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.125 4.709 5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.898 3.576 7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.563 4.392 6.561 1.00 0.00 H new ATOM 669 N VAL A 44 -5.418 -1.069 2.345 1.00 0.00 N ATOM 670 CA VAL A 44 -6.091 -0.876 1.060 1.00 0.00 C ATOM 671 C VAL A 44 -6.009 -2.149 0.209 1.00 0.00 C ATOM 672 O VAL A 44 -6.902 -2.425 -0.594 1.00 0.00 O ATOM 673 CB VAL A 44 -5.466 0.300 0.297 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.558 1.570 1.148 1.00 0.00 C ATOM 675 CG2 VAL A 44 -3.996 0.004 -0.004 1.00 0.00 C ATOM 0 H VAL A 44 -4.509 -0.612 2.421 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.139 -0.653 1.258 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.006 0.443 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.114 2.405 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.604 1.791 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.022 1.420 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.559 0.843 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.456 -0.145 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.924 -0.898 -0.612 1.00 0.00 H new ATOM 685 N MET A 45 -4.933 -2.927 0.405 1.00 0.00 N ATOM 686 CA MET A 45 -4.753 -4.179 -0.339 1.00 0.00 C ATOM 687 C MET A 45 -5.878 -5.159 -0.013 1.00 0.00 C ATOM 688 O MET A 45 -6.311 -5.930 -0.871 1.00 0.00 O ATOM 689 CB MET A 45 -3.408 -4.842 -0.004 1.00 0.00 C ATOM 690 CG MET A 45 -2.263 -3.827 -0.121 1.00 0.00 C ATOM 691 SD MET A 45 -1.520 -3.941 -1.766 1.00 0.00 S ATOM 692 CE MET A 45 -2.930 -3.288 -2.690 1.00 0.00 C ATOM 0 H MET A 45 -4.184 -2.713 1.064 1.00 0.00 H new ATOM 0 HA MET A 45 -4.771 -3.930 -1.400 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.439 -5.249 1.007 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.230 -5.679 -0.680 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.638 -2.818 0.051 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.511 -4.022 0.644 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.580 -2.839 -3.619 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.623 -4.098 -2.917 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.439 -2.533 -2.091 1.00 0.00 H new ATOM 702 N ARG A 46 -6.355 -5.107 1.234 1.00 0.00 N ATOM 703 CA ARG A 46 -7.445 -5.983 1.671 1.00 0.00 C ATOM 704 C ARG A 46 -8.702 -5.719 0.841 1.00 0.00 C ATOM 705 O ARG A 46 -9.399 -6.651 0.436 1.00 0.00 O ATOM 706 CB ARG A 46 -7.767 -5.748 3.150 1.00 0.00 C ATOM 707 CG ARG A 46 -6.952 -6.713 4.014 1.00 0.00 C ATOM 708 CD ARG A 46 -7.749 -7.071 5.272 1.00 0.00 C ATOM 709 NE ARG A 46 -8.864 -7.965 4.947 1.00 0.00 N ATOM 710 CZ ARG A 46 -9.759 -8.340 5.871 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.664 -7.914 7.109 1.00 0.00 N ATOM 712 NH2 ARG A 46 -10.738 -9.140 5.533 1.00 0.00 N ATOM 0 H ARG A 46 -6.007 -4.473 1.953 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.123 -7.015 1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.538 -4.718 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.832 -5.896 3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.719 -7.616 3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.002 -6.256 4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.093 -7.550 5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.130 -6.162 5.737 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.961 -8.311 3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.903 -7.290 7.377 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.352 -8.207 7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.816 -9.473 4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.423 -9.430 6.230 1.00 0.00 H new ATOM 726 N MET A 47 -8.972 -4.434 0.584 1.00 0.00 N ATOM 727 CA MET A 47 -10.140 -4.042 -0.210 1.00 0.00 C ATOM 728 C MET A 47 -9.992 -4.521 -1.658 1.00 0.00 C ATOM 729 O MET A 47 -10.975 -4.899 -2.298 1.00 0.00 O ATOM 730 CB MET A 47 -10.312 -2.519 -0.203 1.00 0.00 C ATOM 731 CG MET A 47 -10.697 -2.053 1.204 1.00 0.00 C ATOM 732 SD MET A 47 -11.453 -0.410 1.112 1.00 0.00 S ATOM 733 CE MET A 47 -13.180 -0.951 1.065 1.00 0.00 C ATOM 0 H MET A 47 -8.402 -3.654 0.912 1.00 0.00 H new ATOM 0 HA MET A 47 -11.018 -4.507 0.238 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.386 -2.037 -0.516 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.081 -2.226 -0.917 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.393 -2.760 1.655 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.814 -2.023 1.843 1.00 0.00 H new ATOM 0 HE1 MET A 47 -13.833 -0.080 1.006 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.340 -1.583 0.192 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.409 -1.516 1.969 1.00 0.00 H new ATOM 743 N LEU A 48 -8.750 -4.506 -2.160 1.00 0.00 N ATOM 744 CA LEU A 48 -8.473 -4.949 -3.531 1.00 0.00 C ATOM 745 C LEU A 48 -8.881 -6.413 -3.720 1.00 0.00 C ATOM 746 O LEU A 48 -9.473 -6.776 -4.738 1.00 0.00 O ATOM 747 CB LEU A 48 -6.979 -4.809 -3.855 1.00 0.00 C ATOM 748 CG LEU A 48 -6.606 -3.644 -4.781 1.00 0.00 C ATOM 749 CD1 LEU A 48 -7.390 -3.748 -6.093 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.935 -2.317 -4.094 1.00 0.00 C ATOM 0 H LEU A 48 -7.928 -4.195 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.054 -4.318 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.432 -4.695 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.637 -5.737 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.538 -3.688 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.120 -2.917 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.150 -4.690 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.459 -3.711 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.669 -1.490 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.002 -2.276 -3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.369 -2.237 -3.166 1.00 0.00 H new ATOM 762 N GLY A 49 -8.557 -7.248 -2.725 1.00 0.00 N ATOM 763 CA GLY A 49 -8.891 -8.672 -2.788 1.00 0.00 C ATOM 764 C GLY A 49 -7.817 -9.529 -2.113 1.00 0.00 C ATOM 765 O GLY A 49 -8.116 -10.589 -1.558 1.00 0.00 O ATOM 0 H GLY A 49 -8.069 -6.964 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.852 -8.843 -2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.000 -8.976 -3.829 1.00 0.00 H new ATOM 769 N GLN A 50 -6.564 -9.063 -2.167 1.00 0.00 N ATOM 770 CA GLN A 50 -5.451 -9.798 -1.560 1.00 0.00 C ATOM 771 C GLN A 50 -5.345 -9.490 -0.063 1.00 0.00 C ATOM 772 O GLN A 50 -6.006 -8.585 0.448 1.00 0.00 O ATOM 773 CB GLN A 50 -4.125 -9.435 -2.248 1.00 0.00 C ATOM 774 CG GLN A 50 -3.747 -7.982 -1.928 1.00 0.00 C ATOM 775 CD GLN A 50 -3.292 -7.275 -3.201 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.098 -7.042 -3.395 1.00 0.00 O ATOM 777 NE2 GLN A 50 -4.179 -6.915 -4.090 1.00 0.00 N ATOM 0 H GLN A 50 -6.298 -8.189 -2.620 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.646 -10.862 -1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.336 -10.107 -1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.218 -9.566 -3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.602 -7.461 -1.497 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.951 -7.959 -1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.168 -7.107 -3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.883 -6.442 -4.943 1.00 0.00 H new ATOM 786 N ASN A 51 -4.502 -10.259 0.630 1.00 0.00 N ATOM 787 CA ASN A 51 -4.309 -10.068 2.068 1.00 0.00 C ATOM 788 C ASN A 51 -2.894 -10.494 2.479 1.00 0.00 C ATOM 789 O ASN A 51 -2.678 -11.620 2.931 1.00 0.00 O ATOM 790 CB ASN A 51 -5.340 -10.887 2.858 1.00 0.00 C ATOM 791 CG ASN A 51 -5.528 -10.285 4.251 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.556 -9.924 4.918 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.732 -10.156 4.737 1.00 0.00 N ATOM 0 H ASN A 51 -3.948 -11.012 0.223 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.443 -9.010 2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.292 -10.899 2.327 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.008 -11.922 2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.867 -9.757 5.666 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.538 -10.454 4.188 1.00 0.00 H new ATOM 800 N PRO A 52 -1.918 -9.591 2.324 1.00 0.00 N ATOM 801 CA PRO A 52 -0.513 -9.870 2.683 1.00 0.00 C ATOM 802 C PRO A 52 -0.234 -9.669 4.175 1.00 0.00 C ATOM 803 O PRO A 52 -1.153 -9.504 4.980 1.00 0.00 O ATOM 804 CB PRO A 52 0.243 -8.836 1.855 1.00 0.00 C ATOM 805 CG PRO A 52 -0.726 -7.696 1.577 1.00 0.00 C ATOM 806 CD PRO A 52 -2.147 -8.236 1.780 1.00 0.00 C ATOM 0 HA PRO A 52 -0.230 -10.904 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.119 -8.475 2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.601 -9.274 0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.535 -6.859 2.248 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.599 -7.325 0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.719 -7.616 2.471 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.704 -8.267 0.843 1.00 0.00 H new ATOM 814 N THR A 53 1.053 -9.673 4.522 1.00 0.00 N ATOM 815 CA THR A 53 1.475 -9.479 5.911 1.00 0.00 C ATOM 816 C THR A 53 1.992 -8.051 6.093 1.00 0.00 C ATOM 817 O THR A 53 2.233 -7.347 5.110 1.00 0.00 O ATOM 818 CB THR A 53 2.590 -10.474 6.275 1.00 0.00 C ATOM 819 OG1 THR A 53 3.815 -10.056 5.688 1.00 0.00 O ATOM 820 CG2 THR A 53 2.228 -11.863 5.756 1.00 0.00 C ATOM 0 H THR A 53 1.820 -9.808 3.863 1.00 0.00 H new ATOM 0 HA THR A 53 0.620 -9.649 6.565 1.00 0.00 H new ATOM 0 HB THR A 53 2.700 -10.508 7.359 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.432 -10.816 5.642 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.020 -12.566 6.015 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.291 -12.188 6.209 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.114 -11.828 4.673 1.00 0.00 H new ATOM 828 N PRO A 54 2.191 -7.612 7.341 1.00 0.00 N ATOM 829 CA PRO A 54 2.703 -6.253 7.618 1.00 0.00 C ATOM 830 C PRO A 54 4.164 -6.084 7.197 1.00 0.00 C ATOM 831 O PRO A 54 4.593 -4.985 6.842 1.00 0.00 O ATOM 832 CB PRO A 54 2.529 -6.132 9.126 1.00 0.00 C ATOM 833 CG PRO A 54 2.475 -7.548 9.676 1.00 0.00 C ATOM 834 CD PRO A 54 1.940 -8.432 8.547 1.00 0.00 C ATOM 0 HA PRO A 54 2.178 -5.479 7.058 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.357 -5.577 9.567 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.616 -5.588 9.368 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.464 -7.879 9.993 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.826 -7.600 10.550 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.461 -9.389 8.501 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.880 -8.652 8.673 1.00 0.00 H new ATOM 842 N GLU A 55 4.912 -7.191 7.217 1.00 0.00 N ATOM 843 CA GLU A 55 6.318 -7.163 6.811 1.00 0.00 C ATOM 844 C GLU A 55 6.433 -7.274 5.285 1.00 0.00 C ATOM 845 O GLU A 55 7.342 -6.704 4.676 1.00 0.00 O ATOM 846 CB GLU A 55 7.108 -8.306 7.466 1.00 0.00 C ATOM 847 CG GLU A 55 6.485 -9.661 7.110 1.00 0.00 C ATOM 848 CD GLU A 55 7.317 -10.785 7.721 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.241 -11.237 7.064 1.00 0.00 O ATOM 850 OE2 GLU A 55 7.018 -11.177 8.838 1.00 0.00 O ATOM 0 H GLU A 55 4.571 -8.108 7.507 1.00 0.00 H new ATOM 0 HA GLU A 55 6.740 -6.214 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.145 -8.277 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.117 -8.176 8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.461 -9.710 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.438 -9.777 6.027 1.00 0.00 H new ATOM 857 N GLU A 56 5.493 -8.011 4.678 1.00 0.00 N ATOM 858 CA GLU A 56 5.483 -8.196 3.225 1.00 0.00 C ATOM 859 C GLU A 56 5.075 -6.900 2.522 1.00 0.00 C ATOM 860 O GLU A 56 5.799 -6.403 1.657 1.00 0.00 O ATOM 861 CB GLU A 56 4.507 -9.310 2.834 1.00 0.00 C ATOM 862 CG GLU A 56 4.837 -9.815 1.427 1.00 0.00 C ATOM 863 CD GLU A 56 4.193 -11.182 1.213 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.015 -11.217 0.896 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.889 -12.172 1.368 1.00 0.00 O ATOM 0 H GLU A 56 4.735 -8.485 5.169 1.00 0.00 H new ATOM 0 HA GLU A 56 6.490 -8.473 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.571 -10.130 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.483 -8.938 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.473 -9.109 0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.917 -9.886 1.298 1.00 0.00 H new ATOM 872 N LEU A 57 3.910 -6.358 2.905 1.00 0.00 N ATOM 873 CA LEU A 57 3.420 -5.114 2.304 1.00 0.00 C ATOM 874 C LEU A 57 4.414 -3.968 2.524 1.00 0.00 C ATOM 875 O LEU A 57 4.508 -3.056 1.701 1.00 0.00 O ATOM 876 CB LEU A 57 2.058 -4.724 2.890 1.00 0.00 C ATOM 877 CG LEU A 57 2.067 -4.283 4.359 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.191 -2.758 4.442 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.762 -4.724 5.027 1.00 0.00 C ATOM 0 H LEU A 57 3.299 -6.756 3.618 1.00 0.00 H new ATOM 0 HA LEU A 57 3.312 -5.289 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.643 -3.914 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.383 -5.574 2.789 1.00 0.00 H new ATOM 0 HG LEU A 57 2.915 -4.741 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.197 -2.450 5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.119 -2.442 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.346 -2.296 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.765 -4.412 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.083 -4.265 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.674 -5.809 4.972 1.00 0.00 H new ATOM 891 N GLN A 58 5.162 -4.028 3.636 1.00 0.00 N ATOM 892 CA GLN A 58 6.153 -2.993 3.943 1.00 0.00 C ATOM 893 C GLN A 58 7.150 -2.857 2.791 1.00 0.00 C ATOM 894 O GLN A 58 7.436 -1.752 2.328 1.00 0.00 O ATOM 895 CB GLN A 58 6.923 -3.333 5.228 1.00 0.00 C ATOM 896 CG GLN A 58 6.942 -2.118 6.162 1.00 0.00 C ATOM 897 CD GLN A 58 7.627 -0.940 5.468 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.849 -0.808 5.516 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.901 -0.068 4.818 1.00 0.00 N ATOM 0 H GLN A 58 5.099 -4.774 4.329 1.00 0.00 H new ATOM 0 HA GLN A 58 5.619 -2.053 4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.455 -4.180 5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.943 -3.630 4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.924 -1.846 6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.469 -2.365 7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.888 -0.177 4.778 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.348 0.721 4.351 1.00 0.00 H new ATOM 908 N GLU A 59 7.661 -4.003 2.330 1.00 0.00 N ATOM 909 CA GLU A 59 8.619 -4.022 1.222 1.00 0.00 C ATOM 910 C GLU A 59 7.972 -3.488 -0.058 1.00 0.00 C ATOM 911 O GLU A 59 8.617 -2.790 -0.842 1.00 0.00 O ATOM 912 CB GLU A 59 9.117 -5.449 0.965 1.00 0.00 C ATOM 913 CG GLU A 59 9.981 -5.914 2.140 1.00 0.00 C ATOM 914 CD GLU A 59 10.195 -7.422 2.049 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.344 -8.151 2.533 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.206 -7.826 1.497 1.00 0.00 O ATOM 0 H GLU A 59 7.429 -4.923 2.704 1.00 0.00 H new ATOM 0 HA GLU A 59 9.460 -3.386 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.270 -6.122 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.694 -5.482 0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.941 -5.398 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.497 -5.661 3.083 1.00 0.00 H new ATOM 923 N MET A 60 6.689 -3.818 -0.255 1.00 0.00 N ATOM 924 CA MET A 60 5.957 -3.364 -1.442 1.00 0.00 C ATOM 925 C MET A 60 5.881 -1.838 -1.474 1.00 0.00 C ATOM 926 O MET A 60 6.109 -1.221 -2.513 1.00 0.00 O ATOM 927 CB MET A 60 4.529 -3.926 -1.447 1.00 0.00 C ATOM 928 CG MET A 60 4.568 -5.443 -1.644 1.00 0.00 C ATOM 929 SD MET A 60 2.877 -6.072 -1.800 1.00 0.00 S ATOM 930 CE MET A 60 3.058 -7.497 -0.700 1.00 0.00 C ATOM 0 H MET A 60 6.142 -4.392 0.386 1.00 0.00 H new ATOM 0 HA MET A 60 6.494 -3.725 -2.319 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.031 -3.685 -0.508 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.949 -3.462 -2.244 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.144 -5.690 -2.536 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.068 -5.918 -0.800 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.077 -7.804 -0.337 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.517 -8.322 -1.245 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.689 -7.226 0.146 1.00 0.00 H new ATOM 940 N ILE A 61 5.553 -1.245 -0.323 1.00 0.00 N ATOM 941 CA ILE A 61 5.436 0.211 -0.204 1.00 0.00 C ATOM 942 C ILE A 61 6.706 0.912 -0.696 1.00 0.00 C ATOM 943 O ILE A 61 6.692 1.596 -1.719 1.00 0.00 O ATOM 944 CB ILE A 61 5.178 0.584 1.258 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.776 0.117 1.647 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.292 2.098 1.446 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.776 -0.333 3.106 1.00 0.00 C ATOM 0 H ILE A 61 5.363 -1.752 0.542 1.00 0.00 H new ATOM 0 HA ILE A 61 4.603 0.540 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 61 5.920 0.100 1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.059 0.926 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.463 -0.704 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.106 2.350 2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.294 2.425 1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.558 2.599 0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.776 -0.666 3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.481 -1.155 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.071 0.500 3.744 1.00 0.00 H new ATOM 959 N ASP A 62 7.795 0.741 0.055 1.00 0.00 N ATOM 960 CA ASP A 62 9.077 1.362 -0.294 1.00 0.00 C ATOM 961 C ASP A 62 9.479 1.052 -1.743 1.00 0.00 C ATOM 962 O ASP A 62 10.072 1.893 -2.424 1.00 0.00 O ATOM 963 CB ASP A 62 10.182 0.860 0.641 1.00 0.00 C ATOM 964 CG ASP A 62 9.909 1.333 2.068 1.00 0.00 C ATOM 965 OD1 ASP A 62 10.342 2.424 2.403 1.00 0.00 O ATOM 966 OD2 ASP A 62 9.271 0.597 2.803 1.00 0.00 O ATOM 0 H ASP A 62 7.817 0.180 0.906 1.00 0.00 H new ATOM 0 HA ASP A 62 8.954 2.440 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.229 -0.229 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.151 1.230 0.305 1.00 0.00 H new ATOM 971 N GLU A 63 9.160 -0.164 -2.202 1.00 0.00 N ATOM 972 CA GLU A 63 9.502 -0.582 -3.567 1.00 0.00 C ATOM 973 C GLU A 63 8.710 0.204 -4.617 1.00 0.00 C ATOM 974 O GLU A 63 9.289 0.751 -5.559 1.00 0.00 O ATOM 975 CB GLU A 63 9.224 -2.078 -3.757 1.00 0.00 C ATOM 976 CG GLU A 63 10.424 -2.894 -3.264 1.00 0.00 C ATOM 977 CD GLU A 63 11.404 -3.112 -4.413 1.00 0.00 C ATOM 978 OE1 GLU A 63 12.277 -2.277 -4.589 1.00 0.00 O ATOM 979 OE2 GLU A 63 11.268 -4.111 -5.100 1.00 0.00 O ATOM 0 H GLU A 63 8.670 -0.871 -1.654 1.00 0.00 H new ATOM 0 HA GLU A 63 10.564 -0.379 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.327 -2.364 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.034 -2.292 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.919 -2.372 -2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.087 -3.854 -2.873 1.00 0.00 H new ATOM 986 N VAL A 64 7.382 0.243 -4.460 1.00 0.00 N ATOM 987 CA VAL A 64 6.523 0.953 -5.421 1.00 0.00 C ATOM 988 C VAL A 64 6.671 2.474 -5.305 1.00 0.00 C ATOM 989 O VAL A 64 6.415 3.195 -6.271 1.00 0.00 O ATOM 990 CB VAL A 64 5.042 0.582 -5.234 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.872 -0.938 -5.302 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.534 1.097 -3.880 1.00 0.00 C ATOM 0 H VAL A 64 6.882 -0.201 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 64 6.852 0.640 -6.412 1.00 0.00 H new ATOM 0 HB VAL A 64 4.462 1.046 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.821 -1.193 -5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.213 -1.299 -6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.461 -1.406 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.485 0.828 -3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.118 0.648 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.638 2.181 -3.841 1.00 0.00 H new ATOM 1002 N ASP A 65 7.075 2.955 -4.119 1.00 0.00 N ATOM 1003 CA ASP A 65 7.241 4.395 -3.895 1.00 0.00 C ATOM 1004 C ASP A 65 8.195 4.995 -4.929 1.00 0.00 C ATOM 1005 O ASP A 65 9.418 4.885 -4.812 1.00 0.00 O ATOM 1006 CB ASP A 65 7.788 4.663 -2.486 1.00 0.00 C ATOM 1007 CG ASP A 65 7.131 5.912 -1.893 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.960 6.883 -2.617 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.811 5.880 -0.718 1.00 0.00 O ATOM 0 H ASP A 65 7.290 2.373 -3.310 1.00 0.00 H new ATOM 0 HA ASP A 65 6.262 4.864 -3.996 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.597 3.803 -1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.869 4.796 -2.527 1.00 0.00 H new ATOM 1014 N GLU A 66 7.610 5.621 -5.951 1.00 0.00 N ATOM 1015 CA GLU A 66 8.398 6.233 -7.023 1.00 0.00 C ATOM 1016 C GLU A 66 8.998 7.570 -6.583 1.00 0.00 C ATOM 1017 O GLU A 66 10.130 7.898 -6.940 1.00 0.00 O ATOM 1018 CB GLU A 66 7.530 6.458 -8.267 1.00 0.00 C ATOM 1019 CG GLU A 66 7.456 5.162 -9.081 1.00 0.00 C ATOM 1020 CD GLU A 66 8.735 4.995 -9.897 1.00 0.00 C ATOM 1021 OE1 GLU A 66 8.816 5.579 -10.965 1.00 0.00 O ATOM 1022 OE2 GLU A 66 9.617 4.283 -9.442 1.00 0.00 O ATOM 0 H GLU A 66 6.600 5.718 -6.060 1.00 0.00 H new ATOM 0 HA GLU A 66 9.210 5.546 -7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.529 6.772 -7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.949 7.259 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.324 4.309 -8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.591 5.186 -9.743 1.00 0.00 H new ATOM 1029 N ASP A 67 8.226 8.343 -5.811 1.00 0.00 N ATOM 1030 CA ASP A 67 8.698 9.651 -5.338 1.00 0.00 C ATOM 1031 C ASP A 67 9.529 9.508 -4.064 1.00 0.00 C ATOM 1032 O ASP A 67 10.574 10.144 -3.918 1.00 0.00 O ATOM 1033 CB ASP A 67 7.520 10.594 -5.040 1.00 0.00 C ATOM 1034 CG ASP A 67 6.464 10.500 -6.139 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.799 10.747 -7.287 1.00 0.00 O ATOM 1036 OD2 ASP A 67 5.331 10.188 -5.812 1.00 0.00 O ATOM 0 H ASP A 67 7.286 8.092 -5.504 1.00 0.00 H new ATOM 0 HA ASP A 67 9.312 10.070 -6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.076 10.337 -4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.880 11.620 -4.961 1.00 0.00 H new ATOM 1041 N GLY A 68 9.035 8.689 -3.132 1.00 0.00 N ATOM 1042 CA GLY A 68 9.718 8.492 -1.853 1.00 0.00 C ATOM 1043 C GLY A 68 9.487 9.704 -0.954 1.00 0.00 C ATOM 1044 O GLY A 68 10.394 10.163 -0.256 1.00 0.00 O ATOM 0 H GLY A 68 8.172 8.156 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.346 7.590 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.786 8.348 -2.018 1.00 0.00 H new ATOM 1048 N SER A 69 8.256 10.227 -1.004 1.00 0.00 N ATOM 1049 CA SER A 69 7.883 11.403 -0.226 1.00 0.00 C ATOM 1050 C SER A 69 7.256 11.009 1.113 1.00 0.00 C ATOM 1051 O SER A 69 7.726 11.422 2.176 1.00 0.00 O ATOM 1052 CB SER A 69 6.877 12.242 -1.021 1.00 0.00 C ATOM 1053 OG SER A 69 5.895 11.384 -1.601 1.00 0.00 O ATOM 0 H SER A 69 7.503 9.849 -1.579 1.00 0.00 H new ATOM 0 HA SER A 69 8.787 11.979 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.398 12.971 -0.367 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.391 12.803 -1.801 1.00 0.00 H new ATOM 0 HG SER A 69 5.250 11.920 -2.108 1.00 0.00 H new ATOM 1059 N GLY A 70 6.185 10.219 1.044 1.00 0.00 N ATOM 1060 CA GLY A 70 5.480 9.779 2.250 1.00 0.00 C ATOM 1061 C GLY A 70 4.070 9.292 1.910 1.00 0.00 C ATOM 1062 O GLY A 70 3.539 8.395 2.566 1.00 0.00 O ATOM 0 H GLY A 70 5.787 9.871 0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.040 8.977 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.423 10.601 2.963 1.00 0.00 H new ATOM 1066 N THR A 71 3.474 9.890 0.872 1.00 0.00 N ATOM 1067 CA THR A 71 2.129 9.506 0.440 1.00 0.00 C ATOM 1068 C THR A 71 2.208 8.689 -0.849 1.00 0.00 C ATOM 1069 O THR A 71 3.123 8.869 -1.658 1.00 0.00 O ATOM 1070 CB THR A 71 1.252 10.744 0.196 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.786 11.513 -0.879 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.198 11.600 1.466 1.00 0.00 C ATOM 0 H THR A 71 3.899 10.635 0.321 1.00 0.00 H new ATOM 0 HA THR A 71 1.681 8.908 1.233 1.00 0.00 H new ATOM 0 HB THR A 71 0.244 10.420 -0.063 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.221 12.300 -1.031 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.575 12.476 1.288 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.775 11.014 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.206 11.919 1.733 1.00 0.00 H new ATOM 1080 N VAL A 72 1.242 7.787 -1.032 1.00 0.00 N ATOM 1081 CA VAL A 72 1.219 6.948 -2.228 1.00 0.00 C ATOM 1082 C VAL A 72 0.228 7.498 -3.246 1.00 0.00 C ATOM 1083 O VAL A 72 -0.978 7.544 -2.999 1.00 0.00 O ATOM 1084 CB VAL A 72 0.842 5.503 -1.877 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.523 4.711 -3.155 1.00 0.00 C ATOM 1086 CG2 VAL A 72 2.014 4.838 -1.150 1.00 0.00 C ATOM 0 H VAL A 72 0.477 7.621 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 72 2.220 6.956 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.039 5.511 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.257 3.687 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.312 5.181 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.397 4.703 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.750 3.811 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.891 4.840 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.236 5.390 -0.236 1.00 0.00 H new ATOM 1096 N ASP A 73 0.759 7.891 -4.402 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.070 8.420 -5.479 1.00 0.00 C ATOM 1098 C ASP A 73 -0.634 7.261 -6.295 1.00 0.00 C ATOM 1099 O ASP A 73 -0.270 6.102 -6.084 1.00 0.00 O ATOM 1100 CB ASP A 73 0.755 9.325 -6.409 1.00 0.00 C ATOM 1101 CG ASP A 73 1.401 10.460 -5.612 1.00 0.00 C ATOM 1102 OD1 ASP A 73 2.372 10.200 -4.919 1.00 0.00 O ATOM 1103 OD2 ASP A 73 0.919 11.576 -5.715 1.00 0.00 O ATOM 0 H ASP A 73 1.756 7.853 -4.615 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.877 9.006 -5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.526 8.738 -6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.114 9.738 -7.188 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.529 7.581 -7.225 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.144 6.553 -8.067 1.00 0.00 C ATOM 1110 C PHE A 74 -1.100 5.843 -8.940 1.00 0.00 C ATOM 1111 O PHE A 74 -1.300 4.697 -9.346 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.214 7.177 -8.968 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.084 6.093 -9.556 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.468 4.998 -8.773 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.508 6.187 -10.884 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.276 3.997 -9.319 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.317 5.186 -11.432 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.702 4.090 -10.649 1.00 0.00 C ATOM 0 H PHE A 74 -1.844 8.532 -7.416 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.601 5.817 -7.405 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.824 7.874 -8.394 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.741 7.750 -9.766 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.140 4.927 -7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.211 7.032 -11.487 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.572 3.152 -8.715 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.645 5.258 -12.459 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.327 3.317 -11.071 1.00 0.00 H new ATOM 1128 N ASP A 75 0.009 6.530 -9.224 1.00 0.00 N ATOM 1129 CA ASP A 75 1.072 5.959 -10.053 1.00 0.00 C ATOM 1130 C ASP A 75 1.772 4.810 -9.328 1.00 0.00 C ATOM 1131 O ASP A 75 1.839 3.691 -9.844 1.00 0.00 O ATOM 1132 CB ASP A 75 2.103 7.032 -10.413 1.00 0.00 C ATOM 1133 CG ASP A 75 1.596 7.851 -11.598 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.884 8.815 -11.365 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.926 7.502 -12.720 1.00 0.00 O ATOM 0 H ASP A 75 0.193 7.477 -8.894 1.00 0.00 H new ATOM 0 HA ASP A 75 0.613 5.575 -10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.280 7.683 -9.557 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.057 6.566 -10.661 1.00 0.00 H new ATOM 1140 N GLU A 76 2.278 5.086 -8.121 1.00 0.00 N ATOM 1141 CA GLU A 76 2.955 4.049 -7.335 1.00 0.00 C ATOM 1142 C GLU A 76 1.943 3.049 -6.759 1.00 0.00 C ATOM 1143 O GLU A 76 2.314 1.981 -6.272 1.00 0.00 O ATOM 1144 CB GLU A 76 3.783 4.666 -6.202 1.00 0.00 C ATOM 1145 CG GLU A 76 2.931 5.607 -5.345 1.00 0.00 C ATOM 1146 CD GLU A 76 3.840 6.645 -4.690 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.129 7.638 -5.334 1.00 0.00 O ATOM 1148 OE2 GLU A 76 4.234 6.434 -3.554 1.00 0.00 O ATOM 0 H GLU A 76 2.233 6.001 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 76 3.629 3.517 -8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.196 3.874 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.626 5.215 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.180 6.100 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.396 5.041 -4.583 1.00 0.00 H new ATOM 1155 N PHE A 77 0.660 3.405 -6.841 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.412 2.540 -6.353 1.00 0.00 C ATOM 1157 C PHE A 77 -0.691 1.411 -7.356 1.00 0.00 C ATOM 1158 O PHE A 77 -0.994 0.283 -6.964 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.689 3.365 -6.140 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.765 2.514 -5.508 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.775 2.310 -4.122 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.755 1.936 -6.310 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.777 1.525 -3.539 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.756 1.151 -5.726 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.767 0.945 -4.341 1.00 0.00 C ATOM 0 H PHE A 77 0.339 4.287 -7.241 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.099 2.100 -5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.474 4.223 -5.503 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.040 3.757 -7.095 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.011 2.758 -3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.747 2.095 -7.378 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.786 1.367 -2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.520 0.704 -6.344 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.539 0.339 -3.891 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.596 1.731 -8.655 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.851 0.739 -9.708 1.00 0.00 C ATOM 1177 C LEU A 78 0.341 -0.200 -9.914 1.00 0.00 C ATOM 1178 O LEU A 78 0.156 -1.382 -10.211 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.148 1.445 -11.028 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.420 2.292 -11.035 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.209 3.513 -11.927 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.588 1.457 -11.566 1.00 0.00 C ATOM 0 H LEU A 78 -0.347 2.659 -8.998 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.708 0.146 -9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.302 2.085 -11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.225 0.695 -11.815 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.647 2.620 -10.021 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.115 4.119 -11.934 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.379 4.105 -11.542 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.983 3.187 -12.942 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.495 2.062 -11.571 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.367 1.126 -12.581 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.735 0.588 -10.925 1.00 0.00 H new ATOM 1194 N VAL A 79 1.562 0.329 -9.763 1.00 0.00 N ATOM 1195 CA VAL A 79 2.771 -0.494 -9.946 1.00 0.00 C ATOM 1196 C VAL A 79 2.788 -1.678 -8.978 1.00 0.00 C ATOM 1197 O VAL A 79 3.421 -2.697 -9.247 1.00 0.00 O ATOM 1198 CB VAL A 79 4.053 0.322 -9.751 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.260 1.246 -10.951 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.961 1.157 -8.473 1.00 0.00 C ATOM 0 H VAL A 79 1.741 1.303 -9.519 1.00 0.00 H new ATOM 0 HA VAL A 79 2.739 -0.861 -10.972 1.00 0.00 H new ATOM 0 HB VAL A 79 4.897 -0.363 -9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.172 1.826 -10.811 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.345 0.649 -11.859 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.410 1.923 -11.040 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.879 1.732 -8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.113 1.838 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.826 0.497 -7.616 1.00 0.00 H new ATOM 1210 N MET A 80 2.083 -1.531 -7.853 1.00 0.00 N ATOM 1211 CA MET A 80 2.006 -2.593 -6.843 1.00 0.00 C ATOM 1212 C MET A 80 1.667 -3.955 -7.473 1.00 0.00 C ATOM 1213 O MET A 80 2.102 -4.998 -6.981 1.00 0.00 O ATOM 1214 CB MET A 80 0.929 -2.253 -5.811 1.00 0.00 C ATOM 1215 CG MET A 80 1.550 -1.462 -4.656 1.00 0.00 C ATOM 1216 SD MET A 80 0.457 -1.539 -3.214 1.00 0.00 S ATOM 1217 CE MET A 80 -0.909 -0.574 -3.905 1.00 0.00 C ATOM 0 H MET A 80 1.558 -0.689 -7.618 1.00 0.00 H new ATOM 0 HA MET A 80 2.985 -2.661 -6.368 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.136 -1.670 -6.278 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.472 -3.168 -5.433 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.529 -1.871 -4.406 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.705 -0.425 -4.953 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.715 -0.510 -3.175 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.559 0.429 -4.148 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.276 -1.059 -4.809 1.00 0.00 H new ATOM 1227 N MET A 81 0.873 -3.936 -8.554 1.00 0.00 N ATOM 1228 CA MET A 81 0.472 -5.179 -9.224 1.00 0.00 C ATOM 1229 C MET A 81 1.567 -5.710 -10.167 1.00 0.00 C ATOM 1230 O MET A 81 1.762 -6.923 -10.275 1.00 0.00 O ATOM 1231 CB MET A 81 -0.842 -4.975 -9.999 1.00 0.00 C ATOM 1232 CG MET A 81 -0.627 -4.119 -11.254 1.00 0.00 C ATOM 1233 SD MET A 81 -0.471 -5.196 -12.702 1.00 0.00 S ATOM 1234 CE MET A 81 -1.000 -3.989 -13.944 1.00 0.00 C ATOM 0 H MET A 81 0.501 -3.086 -8.977 1.00 0.00 H new ATOM 0 HA MET A 81 0.318 -5.927 -8.446 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.252 -5.944 -10.284 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.577 -4.496 -9.352 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.463 -3.433 -11.387 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.270 -3.510 -11.142 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.911 -4.427 -14.938 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.038 -3.710 -13.762 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.370 -3.102 -13.881 1.00 0.00 H new ATOM 1244 N VAL A 82 2.271 -4.800 -10.850 1.00 0.00 N ATOM 1245 CA VAL A 82 3.337 -5.205 -11.789 1.00 0.00 C ATOM 1246 C VAL A 82 4.639 -5.549 -11.058 1.00 0.00 C ATOM 1247 O VAL A 82 5.398 -6.407 -11.511 1.00 0.00 O ATOM 1248 CB VAL A 82 3.633 -4.110 -12.828 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.518 -4.070 -13.872 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.741 -2.743 -12.147 1.00 0.00 C ATOM 0 H VAL A 82 2.130 -3.793 -10.776 1.00 0.00 H new ATOM 0 HA VAL A 82 2.963 -6.093 -12.299 1.00 0.00 H new ATOM 0 HB VAL A 82 4.581 -4.341 -13.314 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.734 -3.293 -14.605 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.455 -5.035 -14.375 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.569 -3.854 -13.382 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.951 -1.979 -12.896 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.801 -2.511 -11.645 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.548 -2.764 -11.414 1.00 0.00 H new ATOM 1260 N ARG A 83 4.897 -4.874 -9.930 1.00 0.00 N ATOM 1261 CA ARG A 83 6.120 -5.128 -9.155 1.00 0.00 C ATOM 1262 C ARG A 83 6.175 -6.579 -8.654 1.00 0.00 C ATOM 1263 O ARG A 83 7.248 -7.086 -8.319 1.00 0.00 O ATOM 1264 CB ARG A 83 6.222 -4.172 -7.958 1.00 0.00 C ATOM 1265 CG ARG A 83 5.032 -4.375 -7.012 1.00 0.00 C ATOM 1266 CD ARG A 83 5.538 -4.812 -5.634 1.00 0.00 C ATOM 1267 NE ARG A 83 5.383 -6.259 -5.458 1.00 0.00 N ATOM 1268 CZ ARG A 83 6.139 -6.952 -4.594 1.00 0.00 C ATOM 1269 NH1 ARG A 83 7.043 -6.349 -3.856 1.00 0.00 N ATOM 1270 NH2 ARG A 83 5.967 -8.245 -4.480 1.00 0.00 N ATOM 0 H ARG A 83 4.286 -4.158 -9.538 1.00 0.00 H new ATOM 0 HA ARG A 83 6.963 -4.956 -9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.155 -4.347 -7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.245 -3.140 -8.309 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.462 -3.450 -6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.356 -5.128 -7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.587 -4.538 -5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.987 -4.285 -4.855 1.00 0.00 H new ATOM 0 HE ARG A 83 4.680 -6.753 -6.008 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.177 -5.341 -3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.611 -6.889 -3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.262 -8.718 -5.046 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.538 -8.780 -3.825 1.00 0.00 H new ATOM 1284 N CYS A 84 5.011 -7.245 -8.616 1.00 0.00 N ATOM 1285 CA CYS A 84 4.943 -8.639 -8.167 1.00 0.00 C ATOM 1286 C CYS A 84 5.751 -9.551 -9.100 1.00 0.00 C ATOM 1287 O CYS A 84 6.290 -10.571 -8.666 1.00 0.00 O ATOM 1288 CB CYS A 84 3.490 -9.124 -8.131 1.00 0.00 C ATOM 1289 SG CYS A 84 3.356 -10.560 -7.039 1.00 0.00 S ATOM 0 H CYS A 84 4.114 -6.844 -8.888 1.00 0.00 H new ATOM 0 HA CYS A 84 5.366 -8.684 -7.163 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.838 -8.325 -7.779 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.159 -9.386 -9.136 1.00 0.00 H new ATOM 0 HG CYS A 84 2.122 -10.968 -7.009 1.00 0.00 H new